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 1mjg_1_C DATA FIRST_RESID 3 DATA SEQUENCE RFRDLSHNCR PSEAPRVMEP KNRDRTVDPA VLEMLVKSKD DKVITAFDRF DATA SEQUENCE VAQQPQCKIG YEGICCRFCM AGPCRIKATD GPGSRGICGA SAWTIVARNV DATA SEQUENCE GLMILTGAAA HCEHGNHIAH ALVEMAEGKA PDYSVKDEAK LKEVCRRVGI DATA SEQUENCE EVEGKSVLEL AQEVGEKALE DFRRLKGEGE ATWLMTTINE GRKEKFRTHN DATA SEQUENCE VVPFGIHASI SELVNQAHMG MDNDPVNLVF SAIRVALADY TGEHIATDFS DATA SEQUENCE DILFGTPQPV VSEANMGVLD PDQVNFVLHG HNPLLSEIIV QAAREMEGEA DATA SEQUENCE KAAGAKGINL VGICCTGNEV LMRQGIPLVT SFASQELAIC TGAIDAMCVD DATA SEQUENCE VQCIMPSISA VAECYHTRII TTADNAKIPG AYHIDYQTAT AIESAKTAIR DATA SEQUENCE MAIEAFKERK ESNRPVYIPQ IKNRVVAGWS LEALTKLLAT QNAQNPIRVL DATA SEQUENCE NQAILDGELA GVALICGCNN LKGFQDNSHL TVMKELLKNN VFVVATGCSA DATA SEQUENCE QAAGKLGLLD PANVETYCGD GLKGFLKRLG EGANIEIGLP PVFHMGSCVD DATA SEQUENCE NSRAVDLLMA MANDLGVDTP KVPFVASAPE AMSGKAAAIG TWWVSLGVPT DATA SEQUENCE HVGTMPPVEG SDLIYSILTQ IASDVYGGYF IFEMDPQVAA RKILDALEYR DATA SEQUENCE TWKLGVHKEV AERYETKLCQ GY 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.145 176.300 -0.259 0.000 0.893 3 R CA 0.000 55.924 56.100 -0.294 0.000 0.921 3 R CB 0.000 29.961 30.300 -0.564 0.000 0.687 4 F N 2.361 122.294 119.950 -0.028 0.000 2.371 4 F HA 0.389 4.916 4.527 -0.000 0.000 0.329 4 F C 1.785 177.572 175.800 -0.021 0.000 1.107 4 F CA -0.214 57.792 58.000 0.011 0.000 1.137 4 F CB 0.707 39.640 39.000 -0.112 0.000 1.214 4 F HN 0.177 nan 8.300 nan 0.000 0.536 5 R N 0.625 121.217 120.500 0.153 0.000 2.081 5 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 5 R C 0.329 176.654 176.300 0.041 0.000 1.131 5 R CA 1.245 57.329 56.100 -0.027 0.000 0.960 5 R CB -0.202 30.017 30.300 -0.136 0.000 0.856 5 R HN 0.660 nan 8.270 nan 0.000 0.436 6 D N 1.311 121.778 120.400 0.112 0.000 2.348 6 D HA -0.037 4.603 4.640 -0.000 0.000 0.259 6 D C 1.207 177.581 176.300 0.123 0.000 1.296 6 D CA 0.114 54.169 54.000 0.092 0.000 0.931 6 D CB 0.592 41.445 40.800 0.088 0.000 1.067 6 D HN 0.244 nan 8.370 nan 0.000 0.503 7 L N 2.839 124.109 121.223 0.078 0.000 2.261 7 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 7 L C 2.278 179.203 176.870 0.092 0.000 1.114 7 L CA 1.127 56.015 54.840 0.080 0.000 0.777 7 L CB -0.501 41.585 42.059 0.045 0.000 0.910 7 L HN 0.379 nan 8.230 nan 0.000 0.440 8 S N -2.480 113.271 115.700 0.084 0.000 2.562 8 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 8 S C 0.800 175.475 174.600 0.124 0.000 0.975 8 S CA -0.172 58.074 58.200 0.078 0.000 0.918 8 S CB -0.562 62.661 63.200 0.039 0.000 0.772 8 S HN 0.545 nan 8.310 nan 0.000 0.531 9 H N 2.231 121.308 119.070 0.012 0.000 2.761 9 H HA 0.447 5.003 4.556 -0.000 0.000 0.284 9 H C -0.217 175.165 175.328 0.091 0.000 1.105 9 H CA -0.758 55.269 56.048 -0.036 0.000 1.352 9 H CB 0.125 29.750 29.762 -0.229 0.000 1.423 9 H HN 0.594 nan 8.280 nan 0.000 0.464 10 N N 2.131 121.034 118.700 0.337 0.000 2.966 10 N HA 0.065 4.804 4.740 -0.000 0.000 0.314 10 N C 0.900 176.594 175.510 0.306 0.000 1.397 10 N CA -0.578 52.622 53.050 0.250 0.000 0.776 10 N CB 0.349 38.943 38.487 0.178 0.000 1.576 10 N HN 0.505 nan 8.380 nan 0.000 0.592 11 C N -1.940 117.522 119.300 0.269 0.000 2.466 11 C HA 0.221 4.681 4.460 -0.000 0.000 0.283 11 C C 0.367 175.635 174.990 0.464 0.000 1.472 11 C CA -0.412 58.810 59.018 0.339 0.000 1.765 11 C CB -1.391 26.537 27.740 0.314 0.000 1.724 11 C HN 0.397 nan 8.230 nan 0.000 0.560 12 R N 1.873 122.586 120.500 0.355 0.000 2.643 12 R HA 0.528 4.868 4.340 -0.000 0.000 0.272 12 R C -2.417 174.041 176.300 0.263 0.000 0.995 12 R CA -1.613 54.676 56.100 0.315 0.000 1.032 12 R CB 0.292 30.668 30.300 0.128 0.000 1.126 12 R HN 0.252 nan 8.270 nan 0.000 0.505 13 P HA -0.007 nan 4.420 nan 0.000 0.274 13 P C -0.172 177.196 177.300 0.113 0.000 1.246 13 P CA -0.259 62.956 63.100 0.192 0.000 0.795 13 P CB 0.797 32.620 31.700 0.205 0.000 1.006 14 S N 0.616 116.364 115.700 0.080 0.000 2.626 14 S HA 0.070 4.540 4.470 -0.000 0.000 0.257 14 S C 0.943 175.569 174.600 0.044 0.000 1.288 14 S CA -0.319 57.909 58.200 0.046 0.000 0.980 14 S CB -0.007 63.204 63.200 0.019 0.000 0.975 14 S HN 0.407 nan 8.310 nan 0.000 0.577 15 E N 0.332 120.549 120.200 0.027 0.000 2.463 15 E HA 0.265 4.615 4.350 -0.000 0.000 0.191 15 E C 0.797 177.408 176.600 0.018 0.000 1.083 15 E CA 0.189 56.603 56.400 0.022 0.000 0.872 15 E CB -0.794 28.914 29.700 0.014 0.000 0.966 15 E HN 0.689 nan 8.360 nan 0.000 0.491 16 A N 3.398 126.230 122.820 0.020 0.000 2.520 16 A HA 0.165 4.484 4.320 -0.000 0.000 0.235 16 A C -1.818 175.777 177.584 0.019 0.000 1.065 16 A CA -0.792 51.253 52.037 0.013 0.000 0.764 16 A CB -0.368 18.640 19.000 0.013 0.000 1.002 16 A HN -0.043 nan 8.150 nan 0.000 0.502 17 P HA 0.167 nan 4.420 nan 0.000 0.271 17 P C 0.169 177.482 177.300 0.023 0.000 1.216 17 P CA -0.388 62.718 63.100 0.010 0.000 0.776 17 P CB 0.710 32.413 31.700 0.004 0.000 0.881 18 R N 1.157 121.666 120.500 0.016 0.000 2.148 18 R HA 0.092 4.432 4.340 -0.000 0.000 0.223 18 R C 0.371 176.703 176.300 0.053 0.000 1.088 18 R CA 0.633 56.752 56.100 0.033 0.000 0.985 18 R CB -0.587 29.692 30.300 -0.034 0.000 0.880 18 R HN 0.338 nan 8.270 nan 0.000 0.451 19 V N 2.439 122.385 119.914 0.053 0.000 2.444 19 V HA 0.273 4.393 4.120 -0.000 0.000 0.294 19 V C -0.045 176.121 176.094 0.119 0.000 1.022 19 V CA -0.685 61.695 62.300 0.134 0.000 0.850 19 V CB 2.078 34.008 31.823 0.179 0.000 0.992 19 V HN 0.013 nan 8.190 nan 0.000 0.426 20 M N 2.887 122.566 119.600 0.132 0.000 2.180 20 M HA 0.334 4.814 4.480 -0.000 0.000 0.358 20 M C 0.683 177.113 176.300 0.216 0.000 1.233 20 M CA 0.105 55.459 55.300 0.091 0.000 1.114 20 M CB 0.038 32.613 32.600 -0.042 0.000 1.594 20 M HN 0.771 nan 8.290 nan 0.000 0.467 21 E N 3.029 123.317 120.200 0.148 0.000 2.202 21 E HA -0.202 4.148 4.350 -0.000 0.000 0.169 21 E C -1.630 175.117 176.600 0.245 0.000 1.536 21 E CA -0.172 56.343 56.400 0.192 0.000 0.664 21 E CB -0.903 28.949 29.700 0.254 0.000 1.064 21 E HN 0.521 nan 8.360 nan 0.000 0.327 22 P HA -0.217 nan 4.420 nan 0.000 0.219 22 P C 0.722 178.136 177.300 0.190 0.000 1.144 22 P CA 1.270 64.510 63.100 0.233 0.000 0.806 22 P CB 0.285 32.057 31.700 0.121 0.000 0.771 23 K N -1.153 119.332 120.400 0.142 0.000 2.358 23 K HA 0.111 4.431 4.320 -0.000 0.000 0.197 23 K C 0.580 177.248 176.600 0.113 0.000 1.025 23 K CA -0.223 56.128 56.287 0.106 0.000 1.104 23 K CB -0.245 32.296 32.500 0.068 0.000 0.855 23 K HN 0.078 nan 8.250 nan 0.000 0.531 24 N N 2.042 120.829 118.700 0.147 0.000 2.426 24 N HA 0.034 4.774 4.740 -0.000 0.000 0.257 24 N C 0.934 176.482 175.510 0.064 0.000 1.002 24 N CA -0.128 52.991 53.050 0.115 0.000 0.942 24 N CB 0.868 39.465 38.487 0.185 0.000 1.112 24 N HN 0.096 nan 8.380 nan 0.000 0.499 25 R N 1.817 122.342 120.500 0.040 0.000 2.236 25 R HA 0.102 4.442 4.340 -0.000 0.000 0.208 25 R C -0.680 175.581 176.300 -0.066 0.000 1.036 25 R CA 0.653 56.779 56.100 0.043 0.000 1.001 25 R CB 0.101 30.433 30.300 0.052 0.000 0.896 25 R HN 0.312 nan 8.270 nan 0.000 0.464 26 D N 2.787 123.093 120.400 -0.157 0.000 3.085 26 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 26 D C -0.359 175.619 176.300 -0.536 0.000 1.232 26 D CA 0.059 53.892 54.000 -0.278 0.000 0.913 26 D CB 0.249 40.956 40.800 -0.156 0.000 1.108 26 D HN 0.301 nan 8.370 nan 0.000 0.468 27 R N 0.686 120.829 120.500 -0.596 0.000 4.576 27 R HA 0.149 4.489 4.340 -0.000 0.000 0.185 27 R C 0.507 176.461 176.300 -0.576 0.000 1.837 27 R CA 0.012 55.372 56.100 -1.233 0.000 1.520 27 R CB -0.136 29.782 30.300 -0.637 0.000 1.403 27 R HN -0.051 nan 8.270 nan 0.000 0.831 28 T N -1.368 112.934 114.554 -0.420 0.000 2.830 28 T HA 0.205 4.555 4.350 -0.000 0.000 0.322 28 T C 0.087 174.852 174.700 0.108 0.000 1.501 28 T CA -0.740 61.359 62.100 -0.002 0.000 1.036 28 T CB 1.740 70.604 68.868 -0.007 0.000 1.379 28 T HN 0.099 nan 8.240 nan 0.000 0.493 29 V N -0.175 119.824 119.914 0.142 0.000 3.276 29 V HA 0.498 4.618 4.120 -0.000 0.000 0.319 29 V C 0.310 176.446 176.094 0.070 0.000 1.427 29 V CA -0.096 62.277 62.300 0.123 0.000 1.102 29 V CB 0.274 32.175 31.823 0.130 0.000 1.020 29 V HN 0.768 nan 8.190 nan 0.000 0.456 30 D N 1.957 122.386 120.400 0.050 0.000 2.339 30 D HA 0.316 4.956 4.640 -0.000 0.000 0.241 30 D C -1.608 174.693 176.300 0.002 0.000 1.183 30 D CA -1.884 52.134 54.000 0.029 0.000 0.859 30 D CB 2.229 43.048 40.800 0.031 0.000 1.067 30 D HN 0.103 nan 8.370 nan 0.000 0.484 31 P HA -0.169 nan 4.420 nan 0.000 0.215 31 P C 1.023 178.318 177.300 -0.008 0.000 1.157 31 P CA 1.773 64.875 63.100 0.003 0.000 0.874 31 P CB 0.215 31.923 31.700 0.013 0.000 0.790 32 A N -0.780 122.033 122.820 -0.011 0.000 1.908 32 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 32 A C 2.318 179.880 177.584 -0.038 0.000 1.181 32 A CA 1.987 54.013 52.037 -0.019 0.000 0.627 32 A CB -1.732 17.251 19.000 -0.029 0.000 0.818 32 A HN 0.052 nan 8.150 nan 0.000 0.445 33 V N 0.012 119.888 119.914 -0.063 0.000 2.358 33 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 33 V C 2.535 178.512 176.094 -0.194 0.000 1.047 33 V CA 1.780 63.998 62.300 -0.136 0.000 1.035 33 V CB -0.797 30.938 31.823 -0.146 0.000 0.658 33 V HN 0.558 nan 8.190 nan 0.000 0.452 34 L N -0.295 120.841 121.223 -0.145 0.000 2.042 34 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 34 L C 2.638 179.449 176.870 -0.097 0.000 1.076 34 L CA 1.789 56.545 54.840 -0.140 0.000 0.749 34 L CB -0.599 41.414 42.059 -0.077 0.000 0.893 34 L HN 0.389 nan 8.230 nan 0.000 0.432 35 E N -0.511 119.667 120.200 -0.037 0.000 2.051 35 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 35 E C 2.262 178.869 176.600 0.012 0.000 0.991 35 E CA 1.179 57.591 56.400 0.020 0.000 0.799 35 E CB -0.050 29.729 29.700 0.132 0.000 0.748 35 E HN 0.356 nan 8.360 nan 0.000 0.449 36 M N 0.248 119.848 119.600 -0.000 0.000 2.229 36 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 36 M C 2.098 178.350 176.300 -0.080 0.000 1.063 36 M CA 0.835 56.127 55.300 -0.013 0.000 1.114 36 M CB -0.627 31.949 32.600 -0.039 0.000 1.387 36 M HN 0.130 nan 8.290 nan 0.000 0.420 37 L N -0.299 120.830 121.223 -0.156 0.000 2.191 37 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 37 L C 2.447 179.250 176.870 -0.112 0.000 1.103 37 L CA 1.113 55.840 54.840 -0.188 0.000 0.769 37 L CB -1.319 40.561 42.059 -0.298 0.000 0.908 37 L HN 0.093 nan 8.230 nan 0.000 0.438 38 V N -0.611 119.245 119.914 -0.096 0.000 2.379 38 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 38 V C 2.543 178.593 176.094 -0.074 0.000 1.044 38 V CA 1.604 63.853 62.300 -0.085 0.000 1.036 38 V CB -0.458 31.305 31.823 -0.100 0.000 0.664 38 V HN 0.412 nan 8.190 nan 0.000 0.453 39 K N 0.682 121.040 120.400 -0.070 0.000 2.103 39 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 39 K C 2.407 179.018 176.600 0.017 0.000 1.052 39 K CA 1.520 57.785 56.287 -0.038 0.000 0.945 39 K CB -0.152 32.339 32.500 -0.015 0.000 0.722 39 K HN 0.609 nan 8.250 nan 0.000 0.443 40 S N 0.788 116.497 115.700 0.014 0.000 2.383 40 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 40 S C 2.001 176.616 174.600 0.024 0.000 1.026 40 S CA 1.258 59.486 58.200 0.046 0.000 0.981 40 S CB -0.247 62.968 63.200 0.025 0.000 0.818 40 S HN 0.341 nan 8.310 nan 0.000 0.472 41 K N 1.270 121.666 120.400 -0.007 0.000 2.057 41 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 41 K C 1.498 178.091 176.600 -0.012 0.000 1.049 41 K CA 1.876 58.157 56.287 -0.011 0.000 0.931 41 K CB -0.395 32.090 32.500 -0.026 0.000 0.714 41 K HN 0.347 nan 8.250 nan 0.000 0.440 42 D N 0.710 121.100 120.400 -0.017 0.000 2.117 42 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 42 D C 1.060 177.353 176.300 -0.013 0.000 0.982 42 D CA 1.214 55.202 54.000 -0.020 0.000 0.828 42 D CB 0.010 40.791 40.800 -0.031 0.000 0.967 42 D HN 0.224 nan 8.370 nan 0.000 0.464 43 D N 0.260 120.664 120.400 0.006 0.000 2.363 43 D HA -0.012 4.628 4.640 -0.000 0.000 0.226 43 D C 0.095 176.377 176.300 -0.030 0.000 1.020 43 D CA 0.282 54.275 54.000 -0.011 0.000 0.892 43 D CB 0.083 40.908 40.800 0.042 0.000 0.900 43 D HN 0.200 nan 8.370 nan 0.000 0.531 44 K N -0.448 119.944 120.400 -0.012 0.000 3.096 44 K HA -0.149 4.171 4.320 -0.000 0.000 0.266 44 K C -0.737 175.859 176.600 -0.007 0.000 1.043 44 K CA 0.053 56.333 56.287 -0.013 0.000 0.758 44 K CB -1.568 30.916 32.500 -0.027 0.000 1.260 44 K HN 0.042 nan 8.250 nan 0.000 0.481 45 V N 1.677 121.604 119.914 0.021 0.000 2.427 45 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 45 V C 0.681 176.803 176.094 0.047 0.000 1.034 45 V CA -0.714 61.612 62.300 0.043 0.000 0.893 45 V CB 1.602 33.494 31.823 0.115 0.000 0.982 45 V HN 0.170 nan 8.190 nan 0.000 0.452 46 I N 4.926 125.520 120.570 0.041 0.000 2.395 46 I HA 0.434 4.604 4.170 -0.000 0.000 0.289 46 I C 0.678 176.831 176.117 0.060 0.000 1.023 46 I CA 0.171 61.498 61.300 0.046 0.000 1.350 46 I CB 1.571 39.590 38.000 0.032 0.000 1.409 46 I HN 0.811 nan 8.210 nan 0.000 0.507 47 T N 1.796 116.401 114.554 0.084 0.000 2.888 47 T HA 0.552 4.902 4.350 -0.000 0.000 0.288 47 T C 0.918 175.674 174.700 0.093 0.000 1.063 47 T CA -0.268 61.895 62.100 0.105 0.000 1.010 47 T CB 1.731 70.712 68.868 0.188 0.000 1.214 47 T HN 0.529 nan 8.240 nan 0.000 0.533 48 A N -0.087 122.745 122.820 0.021 0.000 1.978 48 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 48 A C 1.790 179.303 177.584 -0.117 0.000 1.170 48 A CA 1.389 53.364 52.037 -0.102 0.000 0.636 48 A CB -1.313 17.513 19.000 -0.289 0.000 0.810 48 A HN 0.755 nan 8.150 nan 0.000 0.448 49 F N 0.588 120.532 119.950 -0.010 0.000 2.186 49 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 49 F C 2.157 177.991 175.800 0.057 0.000 1.090 49 F CA 1.517 59.511 58.000 -0.009 0.000 1.307 49 F CB -0.264 38.690 39.000 -0.076 0.000 1.019 49 F HN 0.241 nan 8.300 nan 0.000 0.489 50 D N -0.088 120.440 120.400 0.213 0.000 2.123 50 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 50 D C 2.295 178.658 176.300 0.105 0.000 0.976 50 D CA 0.808 54.890 54.000 0.136 0.000 0.831 50 D CB -0.354 40.502 40.800 0.094 0.000 0.974 50 D HN 0.291 nan 8.370 nan 0.000 0.469 51 R N 0.024 120.577 120.500 0.088 0.000 2.096 51 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 51 R C 2.299 178.632 176.300 0.055 0.000 1.127 51 R CA 0.614 56.745 56.100 0.053 0.000 0.968 51 R CB -0.452 29.871 30.300 0.038 0.000 0.861 51 R HN 0.176 nan 8.270 nan 0.000 0.440 52 F N 1.275 121.207 119.950 -0.030 0.000 2.095 52 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 52 F C 2.109 177.905 175.800 -0.007 0.000 1.104 52 F CA 1.393 59.376 58.000 -0.030 0.000 1.232 52 F CB -0.272 38.691 39.000 -0.061 0.000 0.987 52 F HN -0.287 nan 8.300 nan 0.000 0.475 53 V N 0.645 120.660 119.914 0.169 0.000 2.332 53 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 53 V C 2.741 178.804 176.094 -0.052 0.000 1.055 53 V CA 1.849 64.196 62.300 0.077 0.000 1.038 53 V CB -1.594 30.310 31.823 0.135 0.000 0.651 53 V HN 0.505 nan 8.190 nan 0.000 0.450 54 A N -1.087 121.713 122.820 -0.034 0.000 2.019 54 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 54 A C 2.134 179.661 177.584 -0.096 0.000 1.164 54 A CA 1.408 53.416 52.037 -0.047 0.000 0.644 54 A CB -0.346 18.641 19.000 -0.021 0.000 0.805 54 A HN 0.543 nan 8.150 nan 0.000 0.449 55 Q N -0.132 119.567 119.800 -0.169 0.000 2.378 55 Q HA 0.002 4.342 4.340 -0.000 0.000 0.205 55 Q C 0.122 175.985 176.000 -0.229 0.000 0.954 55 Q CA 0.434 56.117 55.803 -0.200 0.000 0.901 55 Q CB -0.092 28.495 28.738 -0.252 0.000 0.981 55 Q HN 0.624 nan 8.270 nan 0.000 0.483 56 Q N 2.078 121.717 119.800 -0.269 0.000 2.311 56 Q HA 0.184 4.524 4.340 -0.000 0.000 0.272 56 Q C -1.869 174.059 176.000 -0.120 0.000 1.012 56 Q CA -1.043 54.631 55.803 -0.215 0.000 0.891 56 Q CB 0.017 28.645 28.738 -0.183 0.000 1.201 56 Q HN 0.163 nan 8.270 nan 0.000 0.391 57 P HA 0.232 nan 4.420 nan 0.000 0.290 57 P C -0.865 176.360 177.300 -0.125 0.000 1.275 57 P CA -0.544 62.485 63.100 -0.119 0.000 0.841 57 P CB 1.293 32.942 31.700 -0.085 0.000 1.042 58 Q N 0.386 120.096 119.800 -0.150 0.000 2.259 58 Q HA 0.244 4.584 4.340 -0.000 0.000 0.246 58 Q C -0.022 175.931 176.000 -0.078 0.000 0.920 58 Q CA -0.562 55.172 55.803 -0.116 0.000 0.895 58 Q CB 1.176 29.840 28.738 -0.123 0.000 1.220 58 Q HN 0.526 nan 8.270 nan 0.000 0.439 59 C N 3.251 122.530 119.300 -0.035 0.000 2.409 59 C HA -0.062 4.398 4.460 -0.000 0.000 0.398 59 C C 1.807 176.816 174.990 0.031 0.000 1.507 59 C CA 0.372 59.386 59.018 -0.005 0.000 1.460 59 C CB -0.781 26.964 27.740 0.009 0.000 2.472 59 C HN 0.939 nan 8.230 nan 0.000 0.614 60 K N 3.886 124.296 120.400 0.016 0.000 2.097 60 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 60 K C 1.743 178.413 176.600 0.116 0.000 1.050 60 K CA 1.592 57.915 56.287 0.060 0.000 0.938 60 K CB -0.055 32.453 32.500 0.013 0.000 0.718 60 K HN 0.870 nan 8.250 nan 0.000 0.442 61 I N 0.331 120.938 120.570 0.063 0.000 2.179 61 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 61 I C 2.439 178.590 176.117 0.058 0.000 1.088 61 I CA 1.522 62.851 61.300 0.049 0.000 1.357 61 I CB -0.604 37.411 38.000 0.025 0.000 1.051 61 I HN 0.339 nan 8.210 nan 0.000 0.409 62 G N -0.289 108.550 108.800 0.065 0.000 2.408 62 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 62 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 62 G C 1.654 176.602 174.900 0.080 0.000 1.150 62 G CA 0.519 45.656 45.100 0.061 0.000 0.776 62 G HN 0.380 nan 8.290 nan 0.000 0.542 63 Y N 1.433 121.724 120.300 -0.015 0.000 2.256 63 Y HA -0.077 4.473 4.550 -0.000 0.000 0.288 63 Y C 2.417 178.300 175.900 -0.029 0.000 1.155 63 Y CA 1.975 60.063 58.100 -0.021 0.000 1.203 63 Y CB 0.111 38.559 38.460 -0.020 0.000 0.980 63 Y HN 0.346 nan 8.280 nan 0.000 0.530 64 E N -0.898 119.303 120.200 0.003 0.000 2.489 64 E HA 0.149 4.499 4.350 -0.000 0.000 0.193 64 E C 1.390 177.943 176.600 -0.079 0.000 1.057 64 E CA 0.439 56.790 56.400 -0.082 0.000 0.866 64 E CB 0.002 29.712 29.700 0.018 0.000 0.916 64 E HN 0.603 nan 8.360 nan 0.000 0.500 65 G N 2.347 111.113 108.800 -0.056 0.000 2.143 65 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.248 65 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.248 65 G C 0.710 175.601 174.900 -0.016 0.000 0.991 65 G CA 0.546 45.625 45.100 -0.036 0.000 0.689 65 G HN 0.455 nan 8.290 nan 0.000 0.522 66 I N -1.967 118.597 120.570 -0.009 0.000 3.874 66 I HA 0.516 4.686 4.170 -0.000 0.000 0.331 66 I C 0.772 176.884 176.117 -0.008 0.000 1.489 66 I CA -0.619 60.672 61.300 -0.015 0.000 1.187 66 I CB 0.047 38.037 38.000 -0.018 0.000 1.150 66 I HN 0.208 nan 8.210 nan 0.000 0.412 67 C N 1.638 120.943 119.300 0.009 0.000 2.319 67 C HA 0.682 5.142 4.460 -0.000 0.000 0.323 67 C C 0.108 175.127 174.990 0.048 0.000 1.277 67 C CA -0.663 58.368 59.018 0.021 0.000 1.517 67 C CB 0.632 28.388 27.740 0.027 0.000 2.206 67 C HN 0.710 nan 8.230 nan 0.000 0.486 68 C N 7.125 126.455 119.300 0.051 0.000 2.351 68 C HA 0.708 5.168 4.460 -0.000 0.000 0.326 68 C C 0.567 175.637 174.990 0.134 0.000 1.272 68 C CA -0.429 58.658 59.018 0.115 0.000 1.650 68 C CB 0.281 28.050 27.740 0.047 0.000 2.257 68 C HN 1.028 nan 8.230 nan 0.000 0.505 69 R N 3.787 124.416 120.500 0.214 0.000 2.698 69 R HA 0.179 4.519 4.340 -0.000 0.000 0.422 69 R C -0.220 176.113 176.300 0.054 0.000 1.073 69 R CA -0.143 56.011 56.100 0.090 0.000 1.054 69 R CB 0.149 30.457 30.300 0.013 0.000 1.373 69 R HN 0.689 nan 8.270 nan 0.000 0.593 70 F N 0.478 120.398 119.950 -0.049 0.000 2.811 70 F HA 0.021 4.548 4.527 -0.000 0.000 0.301 70 F C 1.302 177.037 175.800 -0.108 0.000 1.151 70 F CA -0.194 57.765 58.000 -0.068 0.000 1.412 70 F CB 0.226 39.186 39.000 -0.068 0.000 1.113 70 F HN 0.202 nan 8.300 nan 0.000 0.579 71 C N -2.345 116.974 119.300 0.032 0.000 3.318 71 C HA 0.436 4.896 4.460 -0.000 0.000 0.322 71 C C 1.042 176.021 174.990 -0.019 0.000 1.398 71 C CA -1.075 57.924 59.018 -0.032 0.000 1.339 71 C CB 0.610 28.311 27.740 -0.066 0.000 1.668 71 C HN 0.226 nan 8.230 nan 0.000 0.462 72 M N 1.753 121.341 119.600 -0.020 0.000 2.686 72 M HA 0.070 4.550 4.480 -0.000 0.000 0.246 72 M C 1.842 178.139 176.300 -0.006 0.000 1.096 72 M CA 1.170 56.462 55.300 -0.012 0.000 1.076 72 M CB -0.200 32.394 32.600 -0.009 0.000 1.504 72 M HN 0.904 nan 8.290 nan 0.000 0.524 73 A N 0.331 123.148 122.820 -0.005 0.000 2.123 73 A HA 0.297 4.617 4.320 -0.000 0.000 0.214 73 A C 1.470 179.053 177.584 -0.002 0.000 1.152 73 A CA 0.763 52.798 52.037 -0.002 0.000 0.728 73 A CB -0.534 18.464 19.000 -0.002 0.000 0.814 73 A HN 0.467 nan 8.150 nan 0.000 0.464 74 G N -0.170 108.630 108.800 0.001 0.000 2.509 74 G HA2 0.470 4.430 3.960 -0.000 0.000 0.269 74 G HA3 0.470 4.430 3.960 -0.000 0.000 0.269 74 G C -2.462 172.438 174.900 0.000 0.000 1.416 74 G CA -1.036 44.067 45.100 0.004 0.000 1.052 74 G HN 0.220 nan 8.290 nan 0.000 0.542 75 P HA 0.360 nan 4.420 nan 0.000 0.271 75 P C -0.707 176.596 177.300 0.005 0.000 1.216 75 P CA -0.195 62.910 63.100 0.009 0.000 0.776 75 P CB 0.757 32.461 31.700 0.007 0.000 0.881 76 C N 2.729 122.034 119.300 0.008 0.000 2.529 76 C HA 0.785 5.245 4.460 -0.000 0.000 0.329 76 C C 0.051 175.037 174.990 -0.006 0.000 1.194 76 C CA -0.535 58.481 59.018 -0.005 0.000 1.779 76 C CB 1.455 29.188 27.740 -0.012 0.000 2.322 76 C HN 0.694 nan 8.230 nan 0.000 0.500 77 R N 1.344 121.834 120.500 -0.015 0.000 2.626 77 R HA 0.620 4.960 4.340 -0.000 0.000 0.274 77 R C -1.544 174.738 176.300 -0.029 0.000 1.031 77 R CA -0.667 55.423 56.100 -0.017 0.000 0.898 77 R CB 0.715 31.010 30.300 -0.009 0.000 1.222 77 R HN 0.446 nan 8.270 nan 0.000 0.455 78 I N 3.223 123.770 120.570 -0.037 0.000 2.505 78 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 78 I C 0.852 176.950 176.117 -0.032 0.000 1.104 78 I CA 0.205 61.476 61.300 -0.048 0.000 1.387 78 I CB 0.768 38.733 38.000 -0.059 0.000 1.404 78 I HN 0.803 nan 8.210 nan 0.000 0.528 79 K N 4.307 124.688 120.400 -0.031 0.000 2.352 79 K HA 0.399 4.719 4.320 -0.000 0.000 0.194 79 K C 0.473 177.061 176.600 -0.020 0.000 1.038 79 K CA 0.271 56.545 56.287 -0.021 0.000 1.023 79 K CB 0.774 33.263 32.500 -0.019 0.000 0.840 79 K HN 0.736 nan 8.250 nan 0.000 0.519 80 A N 0.008 122.813 122.820 -0.026 0.000 2.581 80 A HA 0.284 4.604 4.320 -0.000 0.000 0.290 80 A C 0.489 178.057 177.584 -0.027 0.000 1.119 80 A CA -0.466 51.559 52.037 -0.021 0.000 0.670 80 A CB 0.713 19.703 19.000 -0.017 0.000 1.280 80 A HN 0.067 nan 8.150 nan 0.000 0.425 81 T N -1.714 112.830 114.554 -0.017 0.000 3.067 81 T HA 0.222 4.572 4.350 -0.000 0.000 0.261 81 T C 0.289 174.978 174.700 -0.018 0.000 1.110 81 T CA 1.423 63.514 62.100 -0.015 0.000 1.113 81 T CB -0.499 68.371 68.868 0.003 0.000 0.917 81 T HN 0.924 nan 8.240 nan 0.000 0.499 82 D N -0.823 119.567 120.400 -0.018 0.000 2.626 82 D HA 0.508 5.148 4.640 -0.000 0.000 0.278 82 D C 0.277 176.566 176.300 -0.019 0.000 1.211 82 D CA -0.069 53.920 54.000 -0.017 0.000 0.903 82 D CB 1.239 42.036 40.800 -0.005 0.000 1.408 82 D HN 0.536 nan 8.370 nan 0.000 0.454 83 G N 0.220 109.010 108.800 -0.017 0.000 2.710 83 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.668 83 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.668 83 G C -1.852 173.035 174.900 -0.023 0.000 1.320 83 G CA -0.230 44.861 45.100 -0.016 0.000 0.860 83 G HN 0.552 nan 8.290 nan 0.000 0.538 84 P HA -0.000 nan 4.420 nan 0.000 0.226 84 P C 1.349 178.632 177.300 -0.028 0.000 1.146 84 P CA 1.954 65.040 63.100 -0.022 0.000 0.773 84 P CB -0.155 31.535 31.700 -0.016 0.000 0.772 85 G N 0.031 108.813 108.800 -0.029 0.000 3.393 85 G HA2 0.028 3.988 3.960 -0.000 0.000 0.255 85 G HA3 0.028 3.988 3.960 -0.000 0.000 0.255 85 G C 1.161 176.034 174.900 -0.045 0.000 1.097 85 G CA 0.266 45.346 45.100 -0.033 0.000 0.780 85 G HN 0.385 nan 8.290 nan 0.000 0.540 86 S N -0.425 115.243 115.700 -0.054 0.000 2.575 86 S HA 0.372 4.842 4.470 -0.000 0.000 0.215 86 S C 0.868 175.400 174.600 -0.114 0.000 0.966 86 S CA -0.490 57.665 58.200 -0.074 0.000 0.911 86 S CB 0.473 63.633 63.200 -0.066 0.000 0.780 86 S HN 0.333 nan 8.310 nan 0.000 0.514 87 R N -0.645 119.794 120.500 -0.102 0.000 2.817 87 R HA 0.633 4.973 4.340 -0.000 0.000 0.268 87 R C 0.240 176.484 176.300 -0.093 0.000 1.027 87 R CA -0.660 55.363 56.100 -0.128 0.000 0.928 87 R CB 0.838 31.063 30.300 -0.126 0.000 1.228 87 R HN 0.185 nan 8.270 nan 0.000 0.469 88 G N 0.206 108.948 108.800 -0.096 0.000 2.651 88 G HA2 0.198 4.158 3.960 -0.000 0.000 0.260 88 G HA3 0.198 4.158 3.960 -0.000 0.000 0.260 88 G C 0.980 175.851 174.900 -0.048 0.000 1.216 88 G CA -0.556 44.505 45.100 -0.065 0.000 0.913 88 G HN 0.547 nan 8.290 nan 0.000 0.535 89 I N 0.056 120.607 120.570 -0.032 0.000 2.208 89 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 89 I C 2.832 178.937 176.117 -0.020 0.000 1.097 89 I CA 1.702 62.989 61.300 -0.022 0.000 1.363 89 I CB -0.242 37.750 38.000 -0.014 0.000 1.051 89 I HN 0.623 nan 8.210 nan 0.000 0.413 90 C N 0.101 119.389 119.300 -0.020 0.000 2.491 90 C HA 0.384 4.844 4.460 -0.000 0.000 0.277 90 C C 1.881 176.859 174.990 -0.020 0.000 1.455 90 C CA -0.065 58.945 59.018 -0.013 0.000 1.758 90 C CB -1.034 26.701 27.740 -0.008 0.000 1.745 90 C HN 0.746 nan 8.230 nan 0.000 0.558 91 G N 0.088 108.865 108.800 -0.038 0.000 2.176 91 G HA2 0.104 4.064 3.960 -0.000 0.000 0.232 91 G HA3 0.104 4.064 3.960 -0.000 0.000 0.232 91 G C 0.306 175.156 174.900 -0.083 0.000 0.986 91 G CA 0.139 45.209 45.100 -0.051 0.000 0.643 91 G HN 1.585 nan 8.290 nan 0.000 0.522 92 A N 0.663 123.430 122.820 -0.088 0.000 2.567 92 A HA 0.586 4.906 4.320 -0.000 0.000 0.240 92 A C 1.042 178.485 177.584 -0.236 0.000 1.053 92 A CA 1.290 53.250 52.037 -0.129 0.000 0.755 92 A CB 0.196 19.129 19.000 -0.112 0.000 0.978 92 A HN 1.159 nan 8.150 nan 0.000 0.507 93 S N 1.291 116.757 115.700 -0.391 0.000 2.624 93 S HA 0.399 4.869 4.470 -0.000 0.000 0.263 93 S C 1.758 175.963 174.600 -0.658 0.000 1.287 93 S CA -0.101 57.657 58.200 -0.737 0.000 0.990 93 S CB 1.223 63.482 63.200 -1.569 0.000 0.950 93 S HN 1.162 nan 8.310 nan 0.000 0.561 94 A N 0.879 123.328 122.820 -0.619 0.000 1.940 94 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 94 A C 1.859 179.337 177.584 -0.178 0.000 1.176 94 A CA 1.921 53.773 52.037 -0.309 0.000 0.631 94 A CB -1.039 17.849 19.000 -0.188 0.000 0.814 94 A HN 1.020 nan 8.150 nan 0.000 0.446 95 W N -0.373 120.924 121.300 -0.005 0.000 2.374 95 W HA -0.020 4.640 4.660 -0.000 0.000 0.288 95 W C 1.622 178.129 176.519 -0.021 0.000 1.218 95 W CA 1.418 58.763 57.345 -0.000 0.000 1.245 95 W CB -1.516 27.952 29.460 0.013 0.000 1.126 95 W HN 0.079 nan 8.180 nan 0.000 0.545 96 T N 1.989 116.591 114.554 0.079 0.000 2.777 96 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 96 T C 1.875 176.536 174.700 -0.065 0.000 1.040 96 T CA 1.959 64.104 62.100 0.075 0.000 1.141 96 T CB -0.355 68.508 68.868 -0.007 0.000 0.868 96 T HN 0.178 nan 8.240 nan 0.000 0.444 97 I N 0.750 121.249 120.570 -0.119 0.000 2.226 97 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 97 I C 2.421 178.482 176.117 -0.093 0.000 1.100 97 I CA 0.867 62.084 61.300 -0.137 0.000 1.374 97 I CB -0.358 37.575 38.000 -0.112 0.000 1.057 97 I HN 0.090 nan 8.210 nan 0.000 0.413 98 V N 0.963 120.857 119.914 -0.032 0.000 2.358 98 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 98 V C 2.721 178.815 176.094 -0.001 0.000 1.047 98 V CA 1.926 64.225 62.300 -0.003 0.000 1.035 98 V CB -0.861 30.987 31.823 0.042 0.000 0.658 98 V HN 0.483 nan 8.190 nan 0.000 0.452 99 A N -0.096 122.739 122.820 0.025 0.000 1.908 99 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 99 A C 2.354 179.920 177.584 -0.031 0.000 1.181 99 A CA 1.992 54.046 52.037 0.029 0.000 0.627 99 A CB -0.509 18.533 19.000 0.070 0.000 0.818 99 A HN 0.511 nan 8.150 nan 0.000 0.445 100 R N -0.383 120.030 120.500 -0.145 0.000 2.073 100 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 100 R C 1.999 178.257 176.300 -0.068 0.000 1.134 100 R CA 1.534 57.443 56.100 -0.319 0.000 0.952 100 R CB -0.353 29.390 30.300 -0.929 0.000 0.850 100 R HN 0.555 nan 8.270 nan 0.000 0.433 101 N N 0.251 118.942 118.700 -0.015 0.000 2.106 101 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 101 N C 1.813 177.358 175.510 0.059 0.000 1.029 101 N CA 1.145 54.252 53.050 0.094 0.000 0.848 101 N CB -0.391 38.128 38.487 0.053 0.000 1.007 101 N HN 0.060 nan 8.380 nan 0.000 0.423 102 V N 1.179 121.101 119.914 0.013 0.000 2.548 102 V HA -0.009 4.111 4.120 -0.000 0.000 0.249 102 V C 2.086 178.200 176.094 0.033 0.000 1.055 102 V CA 1.978 64.275 62.300 -0.005 0.000 1.065 102 V CB -0.803 30.997 31.823 -0.038 0.000 0.681 102 V HN 0.312 nan 8.190 nan 0.000 0.462 103 G N -0.042 108.790 108.800 0.053 0.000 2.422 103 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 103 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 103 G C 1.497 176.461 174.900 0.106 0.000 1.146 103 G CA 1.118 46.263 45.100 0.076 0.000 0.769 103 G HN 0.507 nan 8.290 nan 0.000 0.547 104 L N 0.525 121.839 121.223 0.152 0.000 2.017 104 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 104 L C 2.833 179.752 176.870 0.080 0.000 1.073 104 L CA 1.728 56.664 54.840 0.161 0.000 0.745 104 L CB -0.419 41.770 42.059 0.215 0.000 0.894 104 L HN 0.251 nan 8.230 nan 0.000 0.432 105 M N -1.170 118.464 119.600 0.056 0.000 2.086 105 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 105 M C 2.297 178.610 176.300 0.022 0.000 1.067 105 M CA 1.921 57.234 55.300 0.023 0.000 1.116 105 M CB -0.502 32.100 32.600 0.004 0.000 1.348 105 M HN 0.246 nan 8.290 nan 0.000 0.407 106 I N 0.464 121.056 120.570 0.038 0.000 2.208 106 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 106 I C 2.327 178.474 176.117 0.049 0.000 1.097 106 I CA 1.345 62.674 61.300 0.048 0.000 1.363 106 I CB -0.414 37.624 38.000 0.064 0.000 1.051 106 I HN 0.292 nan 8.210 nan 0.000 0.413 107 L N 0.272 121.528 121.223 0.056 0.000 2.017 107 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 107 L C 2.878 179.769 176.870 0.034 0.000 1.073 107 L CA 2.154 57.027 54.840 0.056 0.000 0.745 107 L CB -0.974 41.130 42.059 0.076 0.000 0.894 107 L HN 0.439 nan 8.230 nan 0.000 0.432 108 T N -3.328 111.236 114.554 0.017 0.000 2.788 108 T HA -0.111 4.239 4.350 -0.000 0.000 0.268 108 T C 1.888 176.561 174.700 -0.046 0.000 1.044 108 T CA 1.042 63.136 62.100 -0.010 0.000 1.139 108 T CB -0.904 67.952 68.868 -0.020 0.000 0.867 108 T HN 0.402 nan 8.240 nan 0.000 0.454 109 G N 1.307 110.076 108.800 -0.052 0.000 2.404 109 G HA2 0.113 4.073 3.960 -0.000 0.000 0.215 109 G HA3 0.113 4.073 3.960 -0.000 0.000 0.215 109 G C 1.952 176.792 174.900 -0.101 0.000 1.174 109 G CA 0.792 45.817 45.100 -0.125 0.000 0.780 109 G HN 0.725 nan 8.290 nan 0.000 0.537 110 A N 1.252 124.083 122.820 0.019 0.000 1.902 110 A HA 0.231 4.551 4.320 -0.000 0.000 0.217 110 A C 2.812 180.432 177.584 0.060 0.000 1.181 110 A CA 2.380 54.462 52.037 0.075 0.000 0.623 110 A CB -0.843 18.196 19.000 0.065 0.000 0.818 110 A HN 0.815 nan 8.150 nan 0.000 0.443 111 A N -0.335 122.510 122.820 0.042 0.000 1.933 111 A HA 0.189 4.509 4.320 -0.000 0.000 0.218 111 A C 2.463 180.081 177.584 0.056 0.000 1.175 111 A CA 2.008 54.084 52.037 0.066 0.000 0.628 111 A CB -0.880 18.158 19.000 0.062 0.000 0.814 111 A HN 1.001 nan 8.150 nan 0.000 0.444 112 A N -0.814 122.000 122.820 -0.011 0.000 1.873 112 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 112 A C 1.943 179.565 177.584 0.063 0.000 1.186 112 A CA 1.618 53.632 52.037 -0.037 0.000 0.616 112 A CB -0.955 17.943 19.000 -0.171 0.000 0.823 112 A HN 0.724 nan 8.150 nan 0.000 0.442 113 H N -1.776 117.337 119.070 0.070 0.000 2.389 113 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 113 H C 2.378 177.755 175.328 0.083 0.000 1.081 113 H CA 1.022 57.115 56.048 0.075 0.000 1.345 113 H CB -0.075 29.717 29.762 0.050 0.000 1.393 113 H HN 0.650 nan 8.280 nan 0.000 0.520 114 C N 1.128 120.553 119.300 0.208 0.000 2.432 114 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 114 C C 2.751 177.840 174.990 0.165 0.000 1.249 114 C CA 1.245 60.387 59.018 0.207 0.000 1.725 114 C CB -0.546 27.253 27.740 0.098 0.000 2.028 114 C HN 0.583 nan 8.230 nan 0.000 0.477 115 E N -0.287 120.000 120.200 0.145 0.000 2.110 115 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 115 E C 1.940 178.637 176.600 0.162 0.000 0.988 115 E CA 1.795 58.258 56.400 0.105 0.000 0.804 115 E CB -0.772 28.982 29.700 0.091 0.000 0.745 115 E HN 0.929 nan 8.360 nan 0.000 0.458 116 H N -0.996 118.136 119.070 0.104 0.000 2.293 116 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 116 H C 1.989 177.373 175.328 0.094 0.000 1.082 116 H CA 1.478 57.607 56.048 0.134 0.000 1.308 116 H CB -0.153 29.706 29.762 0.161 0.000 1.375 116 H HN 0.236 nan 8.280 nan 0.000 0.495 117 G N -0.210 108.698 108.800 0.181 0.000 2.422 117 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 117 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 117 G C 1.535 176.411 174.900 -0.039 0.000 1.146 117 G CA 0.795 45.948 45.100 0.088 0.000 0.769 117 G HN 0.563 nan 8.290 nan 0.000 0.547 118 N N -0.717 117.718 118.700 -0.443 0.000 2.142 118 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 118 N C 1.960 177.350 175.510 -0.200 0.000 1.023 118 N CA 1.045 53.538 53.050 -0.929 0.000 0.852 118 N CB -0.296 37.579 38.487 -1.020 0.000 0.998 118 N HN 0.596 nan 8.380 nan 0.000 0.424 119 H N 0.038 119.037 119.070 -0.118 0.000 2.321 119 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 119 H C 2.069 177.447 175.328 0.083 0.000 1.087 119 H CA 1.498 57.548 56.048 0.004 0.000 1.319 119 H CB 0.110 29.894 29.762 0.036 0.000 1.379 119 H HN 0.239 nan 8.280 nan 0.000 0.501 120 I N 0.471 121.163 120.570 0.203 0.000 2.315 120 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 120 I C 2.832 179.075 176.117 0.210 0.000 1.117 120 I CA 0.722 62.116 61.300 0.157 0.000 1.404 120 I CB -0.331 37.804 38.000 0.226 0.000 1.071 120 I HN 0.361 nan 8.210 nan 0.000 0.419 121 A N 0.438 123.418 122.820 0.266 0.000 1.902 121 A HA -0.307 4.013 4.320 -0.000 0.000 0.217 121 A C 2.196 179.863 177.584 0.138 0.000 1.181 121 A CA 2.137 54.386 52.037 0.353 0.000 0.623 121 A CB -0.985 18.195 19.000 0.301 0.000 0.818 121 A HN 0.532 nan 8.150 nan 0.000 0.443 122 H N 0.005 119.095 119.070 0.033 0.000 2.353 122 H HA 0.017 4.573 4.556 -0.000 0.000 0.300 122 H C 2.123 177.436 175.328 -0.026 0.000 1.090 122 H CA 2.046 58.096 56.048 0.003 0.000 1.327 122 H CB -0.270 29.497 29.762 0.008 0.000 1.383 122 H HN 0.377 nan 8.280 nan 0.000 0.508 123 A N 0.538 123.328 122.820 -0.051 0.000 1.902 123 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 123 A C 2.408 179.820 177.584 -0.287 0.000 1.181 123 A CA 1.520 53.424 52.037 -0.223 0.000 0.623 123 A CB -0.952 17.894 19.000 -0.256 0.000 0.818 123 A HN 0.494 nan 8.150 nan 0.000 0.443 124 L N -0.090 120.990 121.223 -0.238 0.000 2.042 124 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 124 L C 2.367 179.083 176.870 -0.258 0.000 1.076 124 L CA 1.928 56.588 54.840 -0.300 0.000 0.749 124 L CB -0.451 41.317 42.059 -0.485 0.000 0.893 124 L HN 0.156 nan 8.230 nan 0.000 0.432 125 V N -0.357 119.417 119.914 -0.233 0.000 2.358 125 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 125 V C 2.627 178.600 176.094 -0.201 0.000 1.047 125 V CA 1.667 63.853 62.300 -0.190 0.000 1.035 125 V CB -0.667 31.067 31.823 -0.148 0.000 0.658 125 V HN 0.440 nan 8.190 nan 0.000 0.452 126 E N -0.351 119.675 120.200 -0.290 0.000 2.085 126 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 126 E C 2.153 178.667 176.600 -0.143 0.000 0.994 126 E CA 1.444 57.700 56.400 -0.239 0.000 0.801 126 E CB -0.458 29.060 29.700 -0.303 0.000 0.743 126 E HN 0.438 nan 8.360 nan 0.000 0.453 127 M N 0.890 120.400 119.600 -0.150 0.000 2.065 127 M HA -0.130 4.350 4.480 -0.000 0.000 0.259 127 M C 2.167 178.423 176.300 -0.073 0.000 1.069 127 M CA 1.963 57.215 55.300 -0.080 0.000 1.110 127 M CB -0.716 31.831 32.600 -0.089 0.000 1.328 127 M HN 0.029 nan 8.290 nan 0.000 0.405 128 A N 0.065 122.824 122.820 -0.102 0.000 2.024 128 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 128 A C 1.660 179.207 177.584 -0.062 0.000 1.164 128 A CA 1.680 53.667 52.037 -0.083 0.000 0.643 128 A CB -0.743 18.197 19.000 -0.100 0.000 0.806 128 A HN 0.762 nan 8.150 nan 0.000 0.451 129 E N -1.189 118.972 120.200 -0.066 0.000 2.437 129 E HA 0.310 4.660 4.350 -0.000 0.000 0.189 129 E C 0.897 177.476 176.600 -0.036 0.000 1.054 129 E CA 0.136 56.507 56.400 -0.048 0.000 0.874 129 E CB -0.149 29.520 29.700 -0.052 0.000 1.011 129 E HN 0.681 nan 8.360 nan 0.000 0.474 130 G N 2.377 111.157 108.800 -0.032 0.000 2.160 130 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.251 130 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.251 130 G C 0.651 175.543 174.900 -0.013 0.000 1.008 130 G CA 0.593 45.682 45.100 -0.018 0.000 0.724 130 G HN 0.288 nan 8.290 nan 0.000 0.514 131 K N -0.440 119.948 120.400 -0.021 0.000 2.373 131 K HA 0.567 4.887 4.320 -0.000 0.000 0.202 131 K C 0.912 177.514 176.600 0.004 0.000 1.025 131 K CA 0.595 56.874 56.287 -0.014 0.000 1.115 131 K CB 1.050 33.532 32.500 -0.029 0.000 0.858 131 K HN 0.706 nan 8.250 nan 0.000 0.525 132 A N 1.937 124.773 122.820 0.027 0.000 3.409 132 A HA 0.244 4.564 4.320 -0.000 0.000 0.282 132 A C -2.167 175.506 177.584 0.147 0.000 1.064 132 A CA -0.885 51.218 52.037 0.110 0.000 0.889 132 A CB 0.382 19.446 19.000 0.107 0.000 1.251 132 A HN -0.082 nan 8.150 nan 0.000 0.538 133 P HA -0.177 nan 4.420 nan 0.000 0.220 133 P C 0.203 177.503 177.300 0.001 0.000 1.144 133 P CA 1.152 64.271 63.100 0.031 0.000 0.800 133 P CB 0.254 31.959 31.700 0.008 0.000 0.772 134 D N -1.709 118.671 120.400 -0.033 0.000 2.363 134 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 134 D C 0.479 176.545 176.300 -0.390 0.000 1.020 134 D CA 0.708 54.573 54.000 -0.224 0.000 0.892 134 D CB -0.152 40.446 40.800 -0.337 0.000 0.900 134 D HN 0.302 nan 8.370 nan 0.000 0.531 135 Y N -0.133 120.174 120.300 0.013 0.000 2.621 135 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 135 Y C 0.811 176.684 175.900 -0.044 0.000 1.074 135 Y CA -0.849 57.250 58.100 -0.002 0.000 1.149 135 Y CB 1.882 40.325 38.460 -0.028 0.000 1.302 135 Y HN -0.226 nan 8.280 nan 0.000 0.501 136 S N -1.645 114.103 115.700 0.080 0.000 2.656 136 S HA 0.474 4.944 4.470 -0.000 0.000 0.265 136 S C -2.112 172.456 174.600 -0.052 0.000 1.132 136 S CA -1.132 57.070 58.200 0.002 0.000 0.819 136 S CB 0.534 63.734 63.200 0.000 0.000 1.119 136 S HN 0.354 nan 8.310 nan 0.000 0.476 137 V N 2.450 122.331 119.914 -0.055 0.000 2.372 137 V HA 0.353 4.473 4.120 -0.000 0.000 0.261 137 V C 0.913 176.984 176.094 -0.039 0.000 1.055 137 V CA -0.157 62.102 62.300 -0.068 0.000 0.930 137 V CB 0.439 32.226 31.823 -0.059 0.000 1.031 137 V HN 0.899 nan 8.190 nan 0.000 0.479 138 K N 1.944 122.321 120.400 -0.039 0.000 2.356 138 K HA 0.107 4.427 4.320 -0.000 0.000 0.195 138 K C 0.298 176.902 176.600 0.008 0.000 1.037 138 K CA 0.253 56.539 56.287 -0.002 0.000 1.014 138 K CB 0.426 32.942 32.500 0.026 0.000 0.815 138 K HN 0.542 nan 8.250 nan 0.000 0.507 139 D N 1.076 121.478 120.400 0.002 0.000 2.400 139 D HA 0.083 4.723 4.640 -0.000 0.000 0.272 139 D C 0.109 176.418 176.300 0.014 0.000 1.220 139 D CA -0.001 54.010 54.000 0.018 0.000 0.897 139 D CB 0.756 41.578 40.800 0.036 0.000 1.134 139 D HN -0.018 nan 8.370 nan 0.000 0.507 140 E N 1.112 121.317 120.200 0.009 0.000 2.110 140 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 140 E C 1.835 178.445 176.600 0.017 0.000 0.988 140 E CA 1.073 57.477 56.400 0.006 0.000 0.804 140 E CB 0.293 29.995 29.700 0.003 0.000 0.745 140 E HN 0.511 nan 8.360 nan 0.000 0.458 141 A N 1.532 124.366 122.820 0.023 0.000 1.902 141 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 141 A C 2.070 179.678 177.584 0.040 0.000 1.181 141 A CA 1.827 53.881 52.037 0.029 0.000 0.623 141 A CB -0.320 18.698 19.000 0.030 0.000 0.818 141 A HN 0.021 nan 8.150 nan 0.000 0.443 142 K N -0.368 120.062 120.400 0.050 0.000 2.057 142 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 142 K C 1.779 178.429 176.600 0.082 0.000 1.049 142 K CA 1.466 57.797 56.287 0.073 0.000 0.931 142 K CB -0.513 32.038 32.500 0.085 0.000 0.714 142 K HN 0.341 nan 8.250 nan 0.000 0.440 143 L N 1.246 122.504 121.223 0.060 0.000 1.989 143 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 143 L C 1.674 178.576 176.870 0.053 0.000 1.071 143 L CA 1.962 56.835 54.840 0.055 0.000 0.749 143 L CB -0.485 41.580 42.059 0.009 0.000 0.890 143 L HN 0.116 nan 8.230 nan 0.000 0.431 144 K N -0.759 119.662 120.400 0.034 0.000 2.147 144 K HA -0.206 4.114 4.320 -0.000 0.000 0.205 144 K C 2.051 178.666 176.600 0.026 0.000 1.049 144 K CA 1.304 57.606 56.287 0.025 0.000 0.936 144 K CB -0.125 32.384 32.500 0.016 0.000 0.722 144 K HN 0.336 nan 8.250 nan 0.000 0.446 145 E N 1.041 121.263 120.200 0.037 0.000 2.072 145 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 145 E C 1.766 178.382 176.600 0.026 0.000 0.985 145 E CA 1.060 57.478 56.400 0.030 0.000 0.801 145 E CB -0.077 29.649 29.700 0.044 0.000 0.750 145 E HN -0.012 nan 8.360 nan 0.000 0.452 146 V N -0.078 119.875 119.914 0.065 0.000 2.358 146 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 146 V C 2.567 178.670 176.094 0.014 0.000 1.047 146 V CA 1.641 63.984 62.300 0.072 0.000 1.035 146 V CB -0.568 31.395 31.823 0.234 0.000 0.658 146 V HN 0.454 nan 8.190 nan 0.000 0.452 147 C N -0.494 118.832 119.300 0.044 0.000 2.413 147 C HA -0.166 4.294 4.460 -0.000 0.000 0.276 147 C C 2.941 177.912 174.990 -0.032 0.000 1.236 147 C CA 1.371 60.400 59.018 0.019 0.000 1.735 147 C CB -1.124 26.633 27.740 0.028 0.000 2.031 147 C HN 0.516 nan 8.230 nan 0.000 0.474 148 R N 0.703 121.186 120.500 -0.028 0.000 2.083 148 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 148 R C 2.481 178.734 176.300 -0.079 0.000 1.137 148 R CA 1.548 57.623 56.100 -0.042 0.000 0.951 148 R CB -0.447 29.838 30.300 -0.026 0.000 0.851 148 R HN 0.507 nan 8.270 nan 0.000 0.434 149 R N -0.013 120.425 120.500 -0.104 0.000 2.120 149 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 149 R C 1.680 177.837 176.300 -0.239 0.000 1.123 149 R CA 1.283 57.286 56.100 -0.162 0.000 0.975 149 R CB 0.082 30.271 30.300 -0.185 0.000 0.866 149 R HN 0.123 nan 8.270 nan 0.000 0.446 150 V N -0.162 119.586 119.914 -0.276 0.000 3.649 150 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 150 V C 1.072 177.058 176.094 -0.181 0.000 1.281 150 V CA 0.931 63.026 62.300 -0.341 0.000 1.143 150 V CB 0.475 31.994 31.823 -0.508 0.000 0.892 150 V HN 0.711 nan 8.190 nan 0.000 0.441 151 G N 0.721 109.448 108.800 -0.121 0.000 2.141 151 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.242 151 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.242 151 G C 0.102 174.976 174.900 -0.043 0.000 0.982 151 G CA -0.031 45.025 45.100 -0.073 0.000 0.662 151 G HN 0.474 nan 8.290 nan 0.000 0.527 152 I N 1.192 121.741 120.570 -0.036 0.000 2.416 152 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 152 I C 0.637 176.749 176.117 -0.009 0.000 1.051 152 I CA -0.592 60.703 61.300 -0.008 0.000 1.375 152 I CB 1.106 39.113 38.000 0.012 0.000 1.407 152 I HN -0.014 nan 8.210 nan 0.000 0.516 153 E N 5.838 126.036 120.200 -0.004 0.000 2.265 153 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 153 E C 0.466 177.065 176.600 -0.001 0.000 1.067 153 E CA 0.085 56.482 56.400 -0.004 0.000 0.900 153 E CB 1.401 31.099 29.700 -0.003 0.000 1.017 153 E HN 0.424 nan 8.360 nan 0.000 0.431 154 V N 4.461 124.374 119.914 -0.002 0.000 2.878 154 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 154 V C 0.578 176.671 176.094 -0.001 0.000 1.075 154 V CA 0.710 63.010 62.300 -0.000 0.000 1.096 154 V CB -0.243 31.580 31.823 0.000 0.000 0.724 154 V HN 0.571 nan 8.190 nan 0.000 0.467 155 E N 0.560 120.760 120.200 -0.002 0.000 2.452 155 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 155 E C 1.307 177.906 176.600 -0.001 0.000 0.987 155 E CA 0.702 57.101 56.400 -0.001 0.000 0.926 155 E CB 0.198 29.897 29.700 -0.002 0.000 0.934 155 E HN 0.409 nan 8.360 nan 0.000 0.452 156 G N 2.909 111.708 108.800 -0.001 0.000 2.175 156 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.265 156 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.265 156 G C 0.033 174.931 174.900 -0.002 0.000 0.979 156 G CA 0.596 45.695 45.100 -0.002 0.000 0.663 156 G HN 0.431 nan 8.290 nan 0.000 0.533 157 K N 0.667 121.065 120.400 -0.002 0.000 2.156 157 K HA 0.598 4.918 4.320 -0.000 0.000 0.254 157 K C 0.809 177.406 176.600 -0.005 0.000 0.950 157 K CA 0.001 56.286 56.287 -0.003 0.000 0.849 157 K CB 1.521 34.020 32.500 -0.002 0.000 1.100 157 K HN 0.338 nan 8.250 nan 0.000 0.434 158 S N -0.016 115.679 115.700 -0.007 0.000 2.645 158 S HA 0.051 4.521 4.470 -0.000 0.000 0.266 158 S C 1.495 176.087 174.600 -0.013 0.000 1.258 158 S CA -0.513 57.681 58.200 -0.010 0.000 0.990 158 S CB 0.988 64.181 63.200 -0.011 0.000 0.967 158 S HN 0.472 nan 8.310 nan 0.000 0.556 159 V N -0.008 119.896 119.914 -0.016 0.000 2.343 159 V HA -0.128 3.992 4.120 -0.000 0.000 0.247 159 V C 2.155 178.230 176.094 -0.032 0.000 1.051 159 V CA 1.573 63.860 62.300 -0.021 0.000 1.036 159 V CB -1.515 30.295 31.823 -0.021 0.000 0.654 159 V HN 0.835 nan 8.190 nan 0.000 0.451 160 L N 0.041 121.245 121.223 -0.032 0.000 2.083 160 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 160 L C 2.915 179.761 176.870 -0.040 0.000 1.083 160 L CA 2.243 57.058 54.840 -0.041 0.000 0.752 160 L CB -0.770 41.268 42.059 -0.034 0.000 0.899 160 L HN 0.409 nan 8.230 nan 0.000 0.433 161 E N 0.203 120.386 120.200 -0.027 0.000 2.110 161 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 161 E C 2.355 178.943 176.600 -0.020 0.000 0.988 161 E CA 0.987 57.375 56.400 -0.020 0.000 0.804 161 E CB -0.086 29.607 29.700 -0.012 0.000 0.745 161 E HN 0.459 nan 8.360 nan 0.000 0.458 162 L N 0.483 121.694 121.223 -0.021 0.000 2.056 162 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 162 L C 2.611 179.460 176.870 -0.035 0.000 1.078 162 L CA 0.911 55.742 54.840 -0.015 0.000 0.749 162 L CB -0.496 41.557 42.059 -0.011 0.000 0.901 162 L HN 0.153 nan 8.230 nan 0.000 0.433 163 A N -0.233 122.546 122.820 -0.069 0.000 1.908 163 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 163 A C 2.260 179.763 177.584 -0.136 0.000 1.181 163 A CA 2.024 53.980 52.037 -0.134 0.000 0.627 163 A CB -0.604 18.309 19.000 -0.145 0.000 0.818 163 A HN 0.510 nan 8.150 nan 0.000 0.445 164 Q N -0.580 119.169 119.800 -0.084 0.000 2.079 164 Q HA -0.216 4.124 4.340 -0.000 0.000 0.200 164 Q C 2.050 178.037 176.000 -0.022 0.000 0.974 164 Q CA 1.838 57.604 55.803 -0.063 0.000 0.840 164 Q CB -0.192 28.521 28.738 -0.042 0.000 0.898 164 Q HN 0.775 nan 8.270 nan 0.000 0.430 165 E N -0.552 119.647 120.200 -0.001 0.000 2.072 165 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 165 E C 1.972 178.629 176.600 0.095 0.000 0.985 165 E CA 1.539 57.964 56.400 0.041 0.000 0.801 165 E CB 0.138 29.859 29.700 0.035 0.000 0.750 165 E HN 0.446 nan 8.360 nan 0.000 0.452 166 V N -1.419 118.554 119.914 0.098 0.000 2.427 166 V HA -0.029 4.091 4.120 -0.000 0.000 0.248 166 V C 2.296 178.572 176.094 0.303 0.000 1.051 166 V CA 1.635 64.092 62.300 0.262 0.000 1.048 166 V CB -1.375 30.617 31.823 0.281 0.000 0.666 166 V HN 0.289 nan 8.190 nan 0.000 0.456 167 G N 0.556 109.373 108.800 0.028 0.000 2.459 167 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 167 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 167 G C 1.449 176.445 174.900 0.160 0.000 1.183 167 G CA 1.031 46.141 45.100 0.018 0.000 0.776 167 G HN 0.617 nan 8.290 nan 0.000 0.552 168 E N 0.143 120.412 120.200 0.116 0.000 2.153 168 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 168 E C 2.353 179.062 176.600 0.182 0.000 0.988 168 E CA 1.101 57.578 56.400 0.128 0.000 0.811 168 E CB -0.049 29.703 29.700 0.088 0.000 0.746 168 E HN 0.345 nan 8.360 nan 0.000 0.466 169 K N 1.243 121.788 120.400 0.241 0.000 2.097 169 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 169 K C 1.906 178.731 176.600 0.375 0.000 1.049 169 K CA 1.304 57.785 56.287 0.322 0.000 0.933 169 K CB -0.227 32.521 32.500 0.413 0.000 0.717 169 K HN 0.108 nan 8.250 nan 0.000 0.442 170 A N 0.554 123.531 122.820 0.261 0.000 1.898 170 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 170 A C 2.129 179.791 177.584 0.131 0.000 1.181 170 A CA 1.344 53.293 52.037 -0.147 0.000 0.620 170 A CB -0.673 18.110 19.000 -0.363 0.000 0.819 170 A HN 0.305 nan 8.150 nan 0.000 0.442 171 L N -0.539 120.840 121.223 0.260 0.000 2.127 171 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 171 L C 2.499 179.534 176.870 0.275 0.000 1.089 171 L CA 1.609 56.651 54.840 0.337 0.000 0.757 171 L CB -0.632 41.557 42.059 0.216 0.000 0.899 171 L HN 0.498 nan 8.230 nan 0.000 0.434 172 E N -0.096 120.219 120.200 0.191 0.000 2.153 172 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 172 E C 1.573 178.237 176.600 0.105 0.000 0.988 172 E CA 1.137 57.626 56.400 0.149 0.000 0.811 172 E CB -0.002 29.781 29.700 0.138 0.000 0.746 172 E HN 0.431 nan 8.360 nan 0.000 0.466 173 D N -0.473 119.943 120.400 0.027 0.000 2.264 173 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 173 D C 1.212 177.349 176.300 -0.272 0.000 0.966 173 D CA 0.767 54.675 54.000 -0.152 0.000 0.864 173 D CB -0.027 40.586 40.800 -0.311 0.000 0.933 173 D HN 0.165 nan 8.370 nan 0.000 0.499 174 F N 0.159 120.103 119.950 -0.009 0.000 2.569 174 F HA 0.163 4.690 4.527 -0.000 0.000 0.295 174 F C 2.312 178.200 175.800 0.147 0.000 1.115 174 F CA 0.370 58.368 58.000 -0.004 0.000 1.450 174 F CB 0.244 39.261 39.000 0.028 0.000 1.107 174 F HN -0.176 nan 8.300 nan 0.000 0.563 175 R N -0.071 120.597 120.500 0.279 0.000 2.189 175 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 175 R C 0.947 177.355 176.300 0.179 0.000 1.012 175 R CA -0.203 56.032 56.100 0.224 0.000 1.015 175 R CB -0.145 30.260 30.300 0.175 0.000 0.938 175 R HN 0.065 nan 8.270 nan 0.000 0.472 176 R N 1.937 122.530 120.500 0.156 0.000 2.523 176 R HA -0.029 4.311 4.340 -0.000 0.000 0.281 176 R C -0.311 176.131 176.300 0.236 0.000 0.969 176 R CA 0.326 56.525 56.100 0.164 0.000 1.093 176 R CB 0.286 30.676 30.300 0.150 0.000 0.917 176 R HN 0.024 nan 8.270 nan 0.000 0.408 177 L N 3.164 124.486 121.223 0.165 0.000 2.400 177 L HA 0.354 4.694 4.340 -0.000 0.000 0.264 177 L C 0.428 177.225 176.870 -0.121 0.000 1.061 177 L CA -0.904 54.001 54.840 0.108 0.000 0.799 177 L CB 0.835 42.910 42.059 0.026 0.000 1.240 177 L HN 0.585 nan 8.230 nan 0.000 0.461 178 K N 0.400 120.465 120.400 -0.559 0.000 2.484 178 K HA 0.101 4.421 4.320 -0.000 0.000 0.280 178 K C 0.887 177.164 176.600 -0.539 0.000 1.013 178 K CA 1.068 56.593 56.287 -1.269 0.000 1.029 178 K CB 0.130 32.071 32.500 -0.932 0.000 0.902 178 K HN 0.799 nan 8.250 nan 0.000 0.481 179 G N 3.404 111.945 108.800 -0.432 0.000 2.179 179 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 179 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 179 G C 0.338 175.195 174.900 -0.072 0.000 0.977 179 G CA 0.569 45.568 45.100 -0.168 0.000 0.641 179 G HN 0.801 nan 8.290 nan 0.000 0.533 180 E N 0.290 120.461 120.200 -0.049 0.000 2.463 180 E HA 0.448 4.798 4.350 -0.000 0.000 0.193 180 E C 1.299 177.930 176.600 0.053 0.000 1.041 180 E CA 0.375 56.782 56.400 0.012 0.000 0.879 180 E CB 0.492 30.208 29.700 0.027 0.000 0.997 180 E HN 1.282 nan 8.360 nan 0.000 0.478 181 G N 1.212 110.058 108.800 0.077 0.000 2.302 181 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.276 181 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.276 181 G C -1.575 173.403 174.900 0.129 0.000 1.316 181 G CA -1.031 44.123 45.100 0.089 0.000 0.988 181 G HN 0.076 nan 8.290 nan 0.000 0.479 182 E N -0.308 119.947 120.200 0.092 0.000 2.244 182 E HA 0.615 4.965 4.350 -0.000 0.000 0.266 182 E C 0.155 176.782 176.600 0.045 0.000 0.914 182 E CA -0.529 55.918 56.400 0.078 0.000 0.794 182 E CB 2.255 31.991 29.700 0.061 0.000 1.210 182 E HN 1.018 nan 8.360 nan 0.000 0.414 183 A N 1.873 124.699 122.820 0.010 0.000 2.491 183 A HA 0.080 4.400 4.320 -0.000 0.000 0.261 183 A C 1.043 178.628 177.584 0.003 0.000 1.101 183 A CA -0.040 51.985 52.037 -0.020 0.000 0.772 183 A CB -0.061 18.884 19.000 -0.091 0.000 1.043 183 A HN 0.696 nan 8.150 nan 0.000 0.501 184 T N 2.609 117.188 114.554 0.041 0.000 2.652 184 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 184 T C 1.378 176.016 174.700 -0.104 0.000 1.039 184 T CA 1.421 63.511 62.100 -0.016 0.000 1.153 184 T CB -0.164 68.720 68.868 0.026 0.000 0.863 184 T HN 0.810 nan 8.240 nan 0.000 0.428 185 W N 0.988 122.159 121.300 -0.215 0.000 2.538 185 W HA 0.046 4.706 4.660 -0.000 0.000 0.254 185 W C 1.932 178.278 176.519 -0.289 0.000 1.249 185 W CA 0.116 57.280 57.345 -0.302 0.000 1.253 185 W CB -0.283 28.947 29.460 -0.383 0.000 1.130 185 W HN 0.265 nan 8.180 nan 0.000 0.618 186 L N 0.046 121.256 121.223 -0.022 0.000 2.185 186 L HA -0.063 4.277 4.340 -0.000 0.000 0.198 186 L C 2.218 179.097 176.870 0.014 0.000 1.079 186 L CA 1.570 56.440 54.840 0.049 0.000 0.780 186 L CB -1.071 41.015 42.059 0.044 0.000 0.955 186 L HN -0.312 nan 8.230 nan 0.000 0.462 187 M N -0.136 119.452 119.600 -0.021 0.000 2.279 187 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 187 M C 1.987 178.229 176.300 -0.097 0.000 1.062 187 M CA 1.783 57.062 55.300 -0.035 0.000 1.099 187 M CB -2.005 30.580 32.600 -0.024 0.000 1.394 187 M HN 0.585 nan 8.290 nan 0.000 0.426 188 T N -3.398 111.050 114.554 -0.176 0.000 3.129 188 T HA 0.058 4.408 4.350 -0.000 0.000 0.251 188 T C 1.338 175.897 174.700 -0.236 0.000 1.117 188 T CA 0.999 62.960 62.100 -0.230 0.000 1.034 188 T CB -0.603 68.052 68.868 -0.355 0.000 0.968 188 T HN 0.458 nan 8.240 nan 0.000 0.526 189 T N 0.054 114.486 114.554 -0.203 0.000 3.040 189 T HA 0.465 4.815 4.350 -0.000 0.000 0.266 189 T C 0.510 175.180 174.700 -0.050 0.000 1.005 189 T CA -0.731 61.270 62.100 -0.165 0.000 0.906 189 T CB -0.565 68.122 68.868 -0.301 0.000 1.082 189 T HN 0.698 nan 8.240 nan 0.000 0.531 190 I N -0.603 119.930 120.570 -0.061 0.000 3.067 190 I HA 0.680 4.850 4.170 -0.000 0.000 0.312 190 I C -0.593 175.469 176.117 -0.091 0.000 1.073 190 I CA -1.551 59.703 61.300 -0.077 0.000 1.016 190 I CB 1.628 39.576 38.000 -0.087 0.000 1.227 190 I HN -0.034 nan 8.210 nan 0.000 0.456 191 N N 1.891 120.526 118.700 -0.108 0.000 2.347 191 N HA 0.092 4.832 4.740 -0.000 0.000 0.253 191 N C 0.424 175.865 175.510 -0.115 0.000 1.274 191 N CA -0.208 52.782 53.050 -0.099 0.000 0.941 191 N CB 0.490 38.921 38.487 -0.094 0.000 1.200 191 N HN 0.663 nan 8.380 nan 0.000 0.514 192 E N 0.201 120.347 120.200 -0.091 0.000 2.118 192 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 192 E C 1.745 178.278 176.600 -0.111 0.000 0.992 192 E CA 1.554 57.902 56.400 -0.087 0.000 0.804 192 E CB -0.933 28.730 29.700 -0.061 0.000 0.741 192 E HN 0.857 nan 8.360 nan 0.000 0.458 193 G N 1.910 110.642 108.800 -0.114 0.000 2.459 193 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 193 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 193 G C 1.674 176.435 174.900 -0.231 0.000 1.183 193 G CA 0.524 45.549 45.100 -0.124 0.000 0.776 193 G HN 0.112 nan 8.290 nan 0.000 0.552 194 R N 0.581 120.882 120.500 -0.332 0.000 2.092 194 R HA 0.043 4.383 4.340 -0.000 0.000 0.231 194 R C 2.543 178.402 176.300 -0.735 0.000 1.119 194 R CA 1.027 56.721 56.100 -0.675 0.000 0.970 194 R CB -0.547 29.370 30.300 -0.638 0.000 0.864 194 R HN 0.398 nan 8.270 nan 0.000 0.440 195 K N 0.414 120.612 120.400 -0.338 0.000 2.057 195 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 195 K C 2.032 178.570 176.600 -0.104 0.000 1.049 195 K CA 1.354 57.548 56.287 -0.156 0.000 0.931 195 K CB -0.068 32.384 32.500 -0.080 0.000 0.714 195 K HN -0.035 nan 8.250 nan 0.000 0.440 196 E N 1.366 121.495 120.200 -0.119 0.000 2.051 196 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 196 E C 1.797 178.372 176.600 -0.041 0.000 0.991 196 E CA 1.539 57.906 56.400 -0.055 0.000 0.799 196 E CB 0.003 29.666 29.700 -0.062 0.000 0.748 196 E HN 0.012 nan 8.360 nan 0.000 0.449 197 K N -0.183 120.115 120.400 -0.169 0.000 2.002 197 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 197 K C 2.010 178.623 176.600 0.021 0.000 1.048 197 K CA 1.823 57.990 56.287 -0.200 0.000 0.930 197 K CB -0.730 31.538 32.500 -0.388 0.000 0.714 197 K HN 0.258 nan 8.250 nan 0.000 0.438 198 F N 0.462 120.415 119.950 0.005 0.000 2.216 198 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 198 F C 2.296 178.155 175.800 0.097 0.000 1.085 198 F CA 0.503 58.532 58.000 0.048 0.000 1.326 198 F CB -0.052 38.948 39.000 0.001 0.000 1.027 198 F HN 0.006 nan 8.300 nan 0.000 0.497 199 R N 0.232 120.883 120.500 0.251 0.000 2.062 199 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 199 R C 2.358 178.773 176.300 0.192 0.000 1.128 199 R CA 1.931 58.142 56.100 0.186 0.000 0.960 199 R CB -1.135 29.235 30.300 0.116 0.000 0.855 199 R HN 0.311 nan 8.270 nan 0.000 0.432 200 T N -1.632 113.050 114.554 0.213 0.000 2.915 200 T HA -0.121 4.229 4.350 -0.000 0.000 0.269 200 T C 1.293 176.132 174.700 0.232 0.000 1.071 200 T CA 1.269 63.493 62.100 0.207 0.000 1.132 200 T CB -0.262 68.740 68.868 0.223 0.000 0.878 200 T HN 0.280 nan 8.240 nan 0.000 0.479 201 H N 0.911 120.072 119.070 0.151 0.000 2.539 201 H HA 0.354 4.910 4.556 -0.000 0.000 0.269 201 H C 0.988 176.470 175.328 0.258 0.000 0.980 201 H CA -0.309 55.865 56.048 0.211 0.000 1.152 201 H CB -0.332 29.508 29.762 0.130 0.000 1.407 201 H HN 0.382 nan 8.280 nan 0.000 0.564 202 N N 0.257 119.136 118.700 0.299 0.000 2.725 202 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 202 N C 0.137 175.789 175.510 0.237 0.000 1.031 202 N CA 0.832 54.028 53.050 0.243 0.000 0.720 202 N CB -1.135 37.479 38.487 0.212 0.000 0.930 202 N HN 0.290 nan 8.380 nan 0.000 0.543 203 V N -3.175 116.850 119.914 0.185 0.000 3.253 203 V HA 0.422 4.542 4.120 -0.000 0.000 0.320 203 V C 0.719 176.765 176.094 -0.080 0.000 1.442 203 V CA -0.257 62.067 62.300 0.041 0.000 1.097 203 V CB 0.624 32.395 31.823 -0.086 0.000 1.008 203 V HN 0.070 nan 8.190 nan 0.000 0.463 204 V N 5.038 124.971 119.914 0.031 0.000 2.485 204 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 204 V C -1.670 174.392 176.094 -0.053 0.000 1.022 204 V CA -0.841 61.459 62.300 -0.001 0.000 1.067 204 V CB 0.666 32.553 31.823 0.106 0.000 0.967 204 V HN 0.438 nan 8.190 nan 0.000 0.479 205 P HA 0.139 nan 4.420 nan 0.000 0.271 205 P C 0.167 177.315 177.300 -0.254 0.000 1.216 205 P CA -0.112 62.766 63.100 -0.371 0.000 0.771 205 P CB 0.735 32.220 31.700 -0.358 0.000 0.864 206 F N 1.636 121.579 119.950 -0.013 0.000 2.104 206 F HA 0.356 4.883 4.527 -0.000 0.000 0.288 206 F C 1.347 177.137 175.800 -0.017 0.000 1.107 206 F CA 0.358 58.356 58.000 -0.002 0.000 1.208 206 F CB -1.270 37.740 39.000 0.016 0.000 1.033 206 F HN 0.305 nan 8.300 nan 0.000 0.478 207 G N -0.434 108.377 108.800 0.019 0.000 2.563 207 G HA2 0.550 4.510 3.960 -0.000 0.000 0.302 207 G HA3 0.550 4.510 3.960 -0.000 0.000 0.302 207 G C 0.161 174.957 174.900 -0.174 0.000 1.301 207 G CA -0.667 44.439 45.100 0.011 0.000 0.965 207 G HN 0.195 nan 8.290 nan 0.000 0.480 208 I N 0.197 120.637 120.570 -0.216 0.000 2.133 208 I HA -0.127 4.043 4.170 -0.000 0.000 0.238 208 I C 2.376 178.410 176.117 -0.138 0.000 1.074 208 I CA 0.746 61.883 61.300 -0.273 0.000 1.342 208 I CB -0.199 37.532 38.000 -0.449 0.000 1.053 208 I HN 0.509 nan 8.210 nan 0.000 0.404 209 H N 0.818 119.942 119.070 0.090 0.000 2.353 209 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 209 H C 2.340 177.721 175.328 0.089 0.000 1.090 209 H CA 1.667 57.776 56.048 0.103 0.000 1.327 209 H CB -0.319 29.520 29.762 0.128 0.000 1.383 209 H HN 0.365 nan 8.280 nan 0.000 0.508 210 A N 0.482 123.446 122.820 0.241 0.000 1.969 210 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 210 A C 2.703 180.434 177.584 0.244 0.000 1.169 210 A CA 1.553 53.767 52.037 0.294 0.000 0.635 210 A CB -0.432 18.839 19.000 0.453 0.000 0.810 210 A HN 0.306 nan 8.150 nan 0.000 0.445 211 S N -0.231 115.415 115.700 -0.089 0.000 2.368 211 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 211 S C 1.797 176.369 174.600 -0.048 0.000 1.029 211 S CA 1.319 59.336 58.200 -0.307 0.000 0.988 211 S CB -0.422 62.458 63.200 -0.533 0.000 0.838 211 S HN 0.556 nan 8.310 nan 0.000 0.462 212 I N 0.906 121.477 120.570 0.001 0.000 2.179 212 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 212 I C 2.682 178.857 176.117 0.098 0.000 1.088 212 I CA 1.139 62.472 61.300 0.055 0.000 1.357 212 I CB -0.407 37.641 38.000 0.080 0.000 1.051 212 I HN 0.293 nan 8.210 nan 0.000 0.409 213 S N 0.447 116.223 115.700 0.126 0.000 2.370 213 S HA -0.272 4.198 4.470 -0.000 0.000 0.226 213 S C 1.983 176.667 174.600 0.140 0.000 1.033 213 S CA 2.002 60.281 58.200 0.132 0.000 1.011 213 S CB -0.228 63.056 63.200 0.140 0.000 0.852 213 S HN 0.443 nan 8.310 nan 0.000 0.457 214 E N 0.685 120.988 120.200 0.171 0.000 2.085 214 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 214 E C 1.874 178.562 176.600 0.147 0.000 0.994 214 E CA 1.326 57.836 56.400 0.183 0.000 0.801 214 E CB -0.581 29.292 29.700 0.288 0.000 0.743 214 E HN 0.490 nan 8.360 nan 0.000 0.453 215 L N -0.405 120.895 121.223 0.129 0.000 2.109 215 L HA -0.032 4.307 4.340 -0.000 0.000 0.207 215 L C 2.181 179.131 176.870 0.134 0.000 1.086 215 L CA 1.224 56.136 54.840 0.119 0.000 0.760 215 L CB -0.483 41.636 42.059 0.100 0.000 0.910 215 L HN 0.112 nan 8.230 nan 0.000 0.437 216 V N 0.803 120.801 119.914 0.140 0.000 2.332 216 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 216 V C 2.542 178.745 176.094 0.181 0.000 1.055 216 V CA 2.100 64.500 62.300 0.166 0.000 1.038 216 V CB -1.082 30.823 31.823 0.138 0.000 0.651 216 V HN 0.719 nan 8.190 nan 0.000 0.450 217 N N 0.045 118.834 118.700 0.149 0.000 2.120 217 N HA -0.255 4.485 4.740 -0.000 0.000 0.188 217 N C 1.961 177.559 175.510 0.147 0.000 1.024 217 N CA 1.745 54.878 53.050 0.137 0.000 0.852 217 N CB -0.098 38.449 38.487 0.100 0.000 1.003 217 N HN 0.573 nan 8.380 nan 0.000 0.424 218 Q N -0.333 119.545 119.800 0.130 0.000 2.291 218 Q HA 0.005 4.345 4.340 -0.000 0.000 0.206 218 Q C 1.700 177.763 176.000 0.105 0.000 0.976 218 Q CA 1.199 57.069 55.803 0.111 0.000 0.875 218 Q CB -0.003 28.796 28.738 0.102 0.000 0.927 218 Q HN 0.532 nan 8.270 nan 0.000 0.450 219 A N -0.324 122.572 122.820 0.126 0.000 2.178 219 A HA -0.058 4.262 4.320 -0.000 0.000 0.211 219 A C 0.680 178.344 177.584 0.134 0.000 1.157 219 A CA -0.136 51.936 52.037 0.059 0.000 0.780 219 A CB -0.236 18.826 19.000 0.104 0.000 0.828 219 A HN 0.340 nan 8.150 nan 0.000 0.476 220 H N 0.708 119.855 119.070 0.128 0.000 2.948 220 H HA 0.061 4.617 4.556 -0.000 0.000 0.351 220 H C 0.472 175.852 175.328 0.086 0.000 1.079 220 H CA 0.186 56.317 56.048 0.139 0.000 1.407 220 H CB 0.363 30.187 29.762 0.103 0.000 1.373 220 H HN 0.269 nan 8.280 nan 0.000 0.605 221 M N 3.185 122.627 119.600 -0.264 0.000 2.255 221 M HA -0.050 4.430 4.480 -0.000 0.000 0.356 221 M C 0.930 177.351 176.300 0.201 0.000 1.338 221 M CA 1.705 56.974 55.300 -0.051 0.000 0.962 221 M CB -0.887 31.614 32.600 -0.165 0.000 1.877 221 M HN 0.978 nan 8.290 nan 0.000 0.463 222 G N 4.512 113.377 108.800 0.108 0.000 2.176 222 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.252 222 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.252 222 G C 0.317 175.284 174.900 0.112 0.000 1.024 222 G CA 0.610 45.773 45.100 0.106 0.000 0.755 222 G HN 0.632 nan 8.290 nan 0.000 0.507 223 M N -0.577 119.092 119.600 0.116 0.000 2.276 223 M HA 0.358 4.838 4.480 -0.000 0.000 0.202 223 M C 0.689 177.033 176.300 0.073 0.000 1.530 223 M CA -0.014 55.344 55.300 0.096 0.000 1.810 223 M CB -0.865 31.806 32.600 0.118 0.000 1.057 223 M HN 0.087 nan 8.290 nan 0.000 0.864 224 D N 1.438 121.881 120.400 0.072 0.000 2.345 224 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 224 D C -0.095 176.257 176.300 0.087 0.000 1.108 224 D CA 0.403 54.446 54.000 0.072 0.000 0.894 224 D CB 0.548 41.390 40.800 0.070 0.000 1.203 224 D HN 0.406 nan 8.370 nan 0.000 0.430 225 N N 2.408 121.180 118.700 0.120 0.000 2.167 225 N HA -0.042 4.698 4.740 -0.000 0.000 0.234 225 N C -1.050 174.648 175.510 0.314 0.000 1.312 225 N CA -0.248 52.931 53.050 0.214 0.000 0.861 225 N CB 0.602 39.196 38.487 0.179 0.000 1.217 225 N HN 0.385 nan 8.380 nan 0.000 0.504 226 D N 2.104 122.587 120.400 0.138 0.000 2.359 226 D HA 0.169 4.808 4.640 -0.000 0.000 0.230 226 D C -1.429 174.833 176.300 -0.063 0.000 1.118 226 D CA -1.790 52.212 54.000 0.003 0.000 0.844 226 D CB 2.074 42.852 40.800 -0.037 0.000 1.059 226 D HN 0.156 nan 8.370 nan 0.000 0.493 227 P HA -0.168 nan 4.420 nan 0.000 0.215 227 P C 1.574 178.794 177.300 -0.133 0.000 1.157 227 P CA 0.725 63.692 63.100 -0.222 0.000 0.868 227 P CB 0.441 31.807 31.700 -0.556 0.000 0.788 228 V N 0.320 120.099 119.914 -0.224 0.000 2.427 228 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 228 V C 2.602 178.488 176.094 -0.348 0.000 1.051 228 V CA 2.227 64.342 62.300 -0.307 0.000 1.048 228 V CB -1.827 29.724 31.823 -0.454 0.000 0.666 228 V HN 0.119 nan 8.190 nan 0.000 0.456 229 N N 0.118 118.685 118.700 -0.221 0.000 2.120 229 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 229 N C 1.681 177.218 175.510 0.045 0.000 1.024 229 N CA 1.302 54.293 53.050 -0.098 0.000 0.852 229 N CB -0.216 38.242 38.487 -0.049 0.000 1.003 229 N HN 0.408 nan 8.380 nan 0.000 0.424 230 L N -0.707 120.546 121.223 0.050 0.000 2.027 230 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 230 L C 2.112 179.071 176.870 0.148 0.000 1.074 230 L CA 0.650 55.549 54.840 0.097 0.000 0.745 230 L CB -0.359 41.753 42.059 0.089 0.000 0.898 230 L HN 0.058 nan 8.230 nan 0.000 0.433 231 V N -0.690 119.331 119.914 0.179 0.000 2.343 231 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 231 V C 2.318 178.642 176.094 0.384 0.000 1.051 231 V CA 1.716 64.175 62.300 0.264 0.000 1.036 231 V CB -0.599 31.410 31.823 0.310 0.000 0.654 231 V HN 0.223 nan 8.190 nan 0.000 0.451 232 F N 0.397 120.417 119.950 0.117 0.000 2.216 232 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 232 F C 2.787 178.632 175.800 0.075 0.000 1.085 232 F CA 1.546 59.626 58.000 0.132 0.000 1.326 232 F CB -1.126 37.976 39.000 0.169 0.000 1.027 232 F HN 0.149 nan 8.300 nan 0.000 0.497 233 S N -0.350 115.509 115.700 0.266 0.000 2.383 233 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 233 S C 2.303 176.961 174.600 0.096 0.000 1.026 233 S CA 0.950 59.245 58.200 0.159 0.000 0.981 233 S CB -0.400 62.887 63.200 0.145 0.000 0.818 233 S HN 0.264 nan 8.310 nan 0.000 0.472 234 A N 1.226 124.111 122.820 0.109 0.000 1.930 234 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 234 A C 2.064 179.667 177.584 0.032 0.000 1.175 234 A CA 1.171 53.254 52.037 0.077 0.000 0.627 234 A CB -0.631 18.428 19.000 0.099 0.000 0.815 234 A HN 0.618 nan 8.150 nan 0.000 0.443 235 I N -1.115 119.455 120.570 0.001 0.000 2.315 235 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 235 I C 2.676 178.680 176.117 -0.188 0.000 1.117 235 I CA 1.477 62.696 61.300 -0.135 0.000 1.404 235 I CB -0.249 37.573 38.000 -0.298 0.000 1.071 235 I HN 0.376 nan 8.210 nan 0.000 0.419 236 R N 0.713 121.132 120.500 -0.135 0.000 2.096 236 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 236 R C 2.208 178.407 176.300 -0.169 0.000 1.127 236 R CA 1.294 57.286 56.100 -0.180 0.000 0.968 236 R CB -0.089 30.145 30.300 -0.110 0.000 0.861 236 R HN 0.134 nan 8.270 nan 0.000 0.440 237 V N 0.882 120.742 119.914 -0.089 0.000 2.427 237 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 237 V C 2.411 178.492 176.094 -0.022 0.000 1.051 237 V CA 1.802 64.067 62.300 -0.059 0.000 1.048 237 V CB -0.499 31.324 31.823 0.000 0.000 0.666 237 V HN 0.550 nan 8.190 nan 0.000 0.456 238 A N -0.255 122.571 122.820 0.010 0.000 1.902 238 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 238 A C 2.172 179.803 177.584 0.078 0.000 1.181 238 A CA 1.612 53.727 52.037 0.130 0.000 0.623 238 A CB -0.499 18.583 19.000 0.138 0.000 0.818 238 A HN 0.507 nan 8.150 nan 0.000 0.443 239 L N -0.934 120.217 121.223 -0.121 0.000 2.201 239 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 239 L C 2.967 179.727 176.870 -0.183 0.000 1.105 239 L CA 0.771 55.471 54.840 -0.232 0.000 0.775 239 L CB -0.421 41.386 42.059 -0.420 0.000 0.913 239 L HN 0.451 nan 8.230 nan 0.000 0.440 240 A N -0.370 122.346 122.820 -0.173 0.000 1.929 240 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 240 A C 2.123 179.608 177.584 -0.164 0.000 1.176 240 A CA 1.609 53.525 52.037 -0.201 0.000 0.628 240 A CB -0.446 18.430 19.000 -0.206 0.000 0.816 240 A HN 0.442 nan 8.150 nan 0.000 0.444 241 D N -1.095 119.274 120.400 -0.051 0.000 2.084 241 D HA -0.241 4.399 4.640 -0.000 0.000 0.194 241 D C 1.795 178.033 176.300 -0.103 0.000 0.990 241 D CA 1.822 55.857 54.000 0.058 0.000 0.826 241 D CB -0.378 40.591 40.800 0.282 0.000 0.971 241 D HN 0.489 nan 8.370 nan 0.000 0.453 242 Y N 1.623 121.643 120.300 -0.467 0.000 2.151 242 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 242 Y C 2.383 177.979 175.900 -0.506 0.000 1.166 242 Y CA 2.531 60.092 58.100 -0.899 0.000 1.163 242 Y CB -0.754 36.802 38.460 -1.506 0.000 0.974 242 Y HN -0.051 nan 8.280 nan 0.000 0.511 243 T N -0.020 114.204 114.554 -0.551 0.000 2.652 243 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 243 T C 2.054 176.446 174.700 -0.513 0.000 1.039 243 T CA 1.718 63.510 62.100 -0.514 0.000 1.153 243 T CB -1.153 67.514 68.868 -0.335 0.000 0.863 243 T HN 0.598 nan 8.240 nan 0.000 0.428 244 G N 0.990 109.540 108.800 -0.417 0.000 2.422 244 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 244 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 244 G C 1.469 176.176 174.900 -0.322 0.000 1.146 244 G CA 0.701 45.623 45.100 -0.297 0.000 0.769 244 G HN 0.514 nan 8.290 nan 0.000 0.547 245 E N -0.549 119.415 120.200 -0.393 0.000 2.051 245 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 245 E C 2.268 178.609 176.600 -0.433 0.000 0.991 245 E CA 0.745 56.877 56.400 -0.446 0.000 0.799 245 E CB -0.239 29.180 29.700 -0.468 0.000 0.748 245 E HN 0.406 nan 8.360 nan 0.000 0.449 246 H N 0.614 119.326 119.070 -0.597 0.000 2.421 246 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 246 H C 2.053 177.150 175.328 -0.385 0.000 1.087 246 H CA 1.068 56.847 56.048 -0.449 0.000 1.330 246 H CB 0.027 29.474 29.762 -0.525 0.000 1.388 246 H HN 0.169 nan 8.280 nan 0.000 0.526 247 I N 0.069 120.350 120.570 -0.482 0.000 2.252 247 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 247 I C 2.842 178.560 176.117 -0.665 0.000 1.102 247 I CA 0.937 61.667 61.300 -0.950 0.000 1.385 247 I CB -0.349 36.992 38.000 -1.097 0.000 1.064 247 I HN 0.184 nan 8.210 nan 0.000 0.414 248 A N 0.432 123.010 122.820 -0.404 0.000 1.883 248 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 248 A C 2.382 179.896 177.584 -0.117 0.000 1.186 248 A CA 2.547 54.436 52.037 -0.246 0.000 0.624 248 A CB -1.114 17.617 19.000 -0.447 0.000 0.822 248 A HN 0.383 nan 8.150 nan 0.000 0.444 249 T N 0.108 114.567 114.554 -0.159 0.000 2.708 249 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 249 T C 1.583 176.305 174.700 0.037 0.000 1.037 249 T CA 1.445 63.508 62.100 -0.062 0.000 1.146 249 T CB -0.445 68.328 68.868 -0.158 0.000 0.865 249 T HN 0.447 nan 8.240 nan 0.000 0.435 250 D N 0.773 121.203 120.400 0.050 0.000 2.106 250 D HA -0.074 4.566 4.640 -0.000 0.000 0.191 250 D C 1.844 178.362 176.300 0.363 0.000 0.997 250 D CA 1.045 55.179 54.000 0.224 0.000 0.834 250 D CB -0.335 40.671 40.800 0.343 0.000 0.956 250 D HN 0.282 nan 8.370 nan 0.000 0.448 251 F N 1.081 121.056 119.950 0.041 0.000 2.325 251 F HA -0.002 4.525 4.527 -0.000 0.000 0.299 251 F C 2.671 178.455 175.800 -0.027 0.000 1.090 251 F CA 0.255 58.252 58.000 -0.005 0.000 1.392 251 F CB -0.998 37.977 39.000 -0.040 0.000 1.053 251 F HN -0.131 nan 8.300 nan 0.000 0.521 252 S N -0.127 115.719 115.700 0.242 0.000 2.383 252 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 252 S C 1.578 176.307 174.600 0.216 0.000 1.026 252 S CA 1.250 59.614 58.200 0.273 0.000 0.981 252 S CB -0.192 63.209 63.200 0.334 0.000 0.818 252 S HN 0.281 nan 8.310 nan 0.000 0.472 253 D N 1.441 121.945 120.400 0.173 0.000 2.144 253 D HA 0.040 4.680 4.640 -0.000 0.000 0.200 253 D C 1.783 178.131 176.300 0.080 0.000 0.978 253 D CA 0.654 54.738 54.000 0.139 0.000 0.833 253 D CB -0.284 40.593 40.800 0.128 0.000 0.961 253 D HN 0.337 nan 8.370 nan 0.000 0.470 254 I N 0.288 120.897 120.570 0.064 0.000 2.226 254 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 254 I C 2.209 178.253 176.117 -0.121 0.000 1.100 254 I CA 0.810 62.106 61.300 -0.007 0.000 1.374 254 I CB -0.044 37.951 38.000 -0.009 0.000 1.057 254 I HN -0.015 nan 8.210 nan 0.000 0.413 255 L N -0.932 120.124 121.223 -0.279 0.000 2.179 255 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 255 L C 1.589 178.078 176.870 -0.635 0.000 1.096 255 L CA 1.241 55.727 54.840 -0.591 0.000 0.779 255 L CB -0.160 41.267 42.059 -1.053 0.000 0.922 255 L HN 0.171 nan 8.230 nan 0.000 0.443 256 F N -0.803 119.199 119.950 0.086 0.000 2.706 256 F HA 0.459 4.986 4.527 -0.000 0.000 0.313 256 F C 1.006 176.833 175.800 0.045 0.000 1.096 256 F CA -0.029 58.011 58.000 0.066 0.000 1.219 256 F CB 0.721 39.765 39.000 0.074 0.000 1.051 256 F HN -0.003 nan 8.300 nan 0.000 0.568 257 G N 1.005 109.896 108.800 0.152 0.000 2.784 257 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.686 257 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.686 257 G C -0.561 174.403 174.900 0.108 0.000 1.156 257 G CA -1.174 43.990 45.100 0.106 0.000 0.757 257 G HN -0.050 nan 8.290 nan 0.000 0.642 258 T N 4.385 118.987 114.554 0.080 0.000 2.814 258 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 258 T C -1.730 173.001 174.700 0.053 0.000 0.956 258 T CA -0.191 61.955 62.100 0.077 0.000 1.123 258 T CB 1.073 69.985 68.868 0.074 0.000 0.902 258 T HN 0.500 nan 8.240 nan 0.000 0.528 259 P HA 0.108 nan 4.420 nan 0.000 0.265 259 P C -0.334 176.945 177.300 -0.034 0.000 1.187 259 P CA 0.099 63.198 63.100 -0.002 0.000 0.766 259 P CB 0.453 32.152 31.700 -0.000 0.000 0.820 260 Q N 3.276 123.018 119.800 -0.096 0.000 2.433 260 Q HA 0.432 4.772 4.340 -0.000 0.000 0.279 260 Q C -2.493 173.327 176.000 -0.300 0.000 1.105 260 Q CA -2.445 53.269 55.803 -0.149 0.000 0.815 260 Q CB 1.347 30.029 28.738 -0.093 0.000 1.403 260 Q HN 0.254 nan 8.270 nan 0.000 0.435 261 P HA -0.058 nan 4.420 nan 0.000 0.261 261 P C -1.326 175.759 177.300 -0.357 0.000 1.173 261 P CA 0.359 63.047 63.100 -0.688 0.000 0.760 261 P CB 0.451 31.703 31.700 -0.746 0.000 0.783 262 V N 4.521 124.247 119.914 -0.312 0.000 3.049 262 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 262 V C -1.089 174.930 176.094 -0.125 0.000 1.148 262 V CA -0.864 61.331 62.300 -0.175 0.000 0.990 262 V CB 2.733 34.468 31.823 -0.147 0.000 1.039 262 V HN 0.103 nan 8.190 nan 0.000 0.430 263 V N 4.442 124.308 119.914 -0.079 0.000 2.483 263 V HA 0.888 5.008 4.120 -0.000 0.000 0.295 263 V C 0.179 176.250 176.094 -0.039 0.000 1.035 263 V CA 0.308 62.580 62.300 -0.047 0.000 0.896 263 V CB 1.354 33.158 31.823 -0.031 0.000 0.986 263 V HN 1.090 nan 8.190 nan 0.000 0.447 264 S N 3.034 118.719 115.700 -0.025 0.000 2.873 264 S HA 0.641 5.111 4.470 -0.000 0.000 0.303 264 S C -1.629 172.966 174.600 -0.007 0.000 1.222 264 S CA -0.650 57.538 58.200 -0.020 0.000 0.923 264 S CB 1.895 65.080 63.200 -0.025 0.000 1.286 264 S HN 0.785 nan 8.310 nan 0.000 0.571 265 E N -0.472 119.724 120.200 -0.005 0.000 2.416 265 E HA 0.740 5.090 4.350 -0.000 0.000 0.273 265 E C -1.311 175.292 176.600 0.004 0.000 0.935 265 E CA -1.094 55.305 56.400 -0.000 0.000 0.784 265 E CB 2.161 31.857 29.700 -0.007 0.000 1.301 265 E HN 0.732 nan 8.360 nan 0.000 0.454 266 A N 2.081 124.904 122.820 0.006 0.000 2.539 266 A HA 0.770 5.090 4.320 -0.000 0.000 0.296 266 A C -0.680 176.902 177.584 -0.003 0.000 1.073 266 A CA -0.465 51.576 52.037 0.006 0.000 0.700 266 A CB 1.678 20.689 19.000 0.019 0.000 1.296 266 A HN 0.609 nan 8.150 nan 0.000 0.405 267 N N -0.796 117.899 118.700 -0.008 0.000 5.725 267 N HA -0.131 4.609 4.740 -0.000 0.000 0.391 267 N C 0.720 176.212 175.510 -0.031 0.000 1.466 267 N CA 0.622 53.662 53.050 -0.017 0.000 2.340 267 N CB -0.579 37.901 38.487 -0.012 0.000 0.615 267 N HN 0.736 nan 8.380 nan 0.000 0.597 268 M N 0.504 120.078 119.600 -0.044 0.000 2.331 268 M HA -0.139 4.341 4.480 -0.000 0.000 0.260 268 M C 1.998 178.254 176.300 -0.073 0.000 1.072 268 M CA 2.220 57.482 55.300 -0.064 0.000 1.065 268 M CB -0.601 31.952 32.600 -0.079 0.000 1.392 268 M HN 0.646 nan 8.290 nan 0.000 0.427 269 G N 0.365 109.127 108.800 -0.064 0.000 2.535 269 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 269 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 269 G C 1.393 176.262 174.900 -0.051 0.000 1.122 269 G CA 0.901 45.961 45.100 -0.065 0.000 0.769 269 G HN 0.521 nan 8.290 nan 0.000 0.549 270 V N -1.423 118.466 119.914 -0.041 0.000 3.305 270 V HA 0.293 4.413 4.120 -0.000 0.000 0.269 270 V C 1.207 177.283 176.094 -0.031 0.000 1.157 270 V CA 0.058 62.340 62.300 -0.031 0.000 1.157 270 V CB -0.671 31.138 31.823 -0.023 0.000 0.772 270 V HN 0.179 nan 8.190 nan 0.000 0.498 271 L N 1.646 122.844 121.223 -0.042 0.000 2.417 271 L HA 0.470 4.810 4.340 -0.000 0.000 0.268 271 L C -0.079 176.773 176.870 -0.030 0.000 1.158 271 L CA 0.179 54.998 54.840 -0.036 0.000 0.819 271 L CB 0.625 42.652 42.059 -0.053 0.000 1.112 271 L HN 0.192 nan 8.230 nan 0.000 0.458 272 D N 3.643 124.038 120.400 -0.009 0.000 2.505 272 D HA 0.229 4.869 4.640 -0.000 0.000 0.250 272 D C -1.791 174.533 176.300 0.040 0.000 1.164 272 D CA -1.970 52.033 54.000 0.004 0.000 0.870 272 D CB 2.208 43.009 40.800 0.001 0.000 1.160 272 D HN 0.140 nan 8.370 nan 0.000 0.549 273 P HA -0.097 nan 4.420 nan 0.000 0.219 273 P C 0.167 177.563 177.300 0.159 0.000 1.146 273 P CA 0.904 64.049 63.100 0.076 0.000 0.808 273 P CB 0.569 32.291 31.700 0.036 0.000 0.779 274 D N -1.046 119.439 120.400 0.141 0.000 2.340 274 D HA 0.102 4.742 4.640 -0.000 0.000 0.217 274 D C 0.975 177.372 176.300 0.162 0.000 1.081 274 D CA 0.331 54.454 54.000 0.206 0.000 0.842 274 D CB 0.490 41.359 40.800 0.115 0.000 0.934 274 D HN 0.386 nan 8.370 nan 0.000 0.511 275 Q N -0.150 119.701 119.800 0.085 0.000 2.418 275 Q HA 0.462 4.802 4.340 -0.000 0.000 0.276 275 Q C -0.582 175.301 176.000 -0.194 0.000 1.081 275 Q CA -0.956 54.766 55.803 -0.134 0.000 0.864 275 Q CB 2.873 31.565 28.738 -0.076 0.000 1.384 275 Q HN -0.172 nan 8.270 nan 0.000 0.467 276 V N 2.783 122.491 119.914 -0.342 0.000 2.372 276 V HA 0.096 4.216 4.120 -0.000 0.000 0.261 276 V C -0.347 175.755 176.094 0.014 0.000 1.055 276 V CA -0.474 61.719 62.300 -0.177 0.000 0.930 276 V CB 0.099 31.799 31.823 -0.205 0.000 1.031 276 V HN 0.563 nan 8.190 nan 0.000 0.479 277 N N 5.146 123.894 118.700 0.080 0.000 2.415 277 N HA 0.230 4.970 4.740 -0.000 0.000 0.246 277 N C -0.819 174.747 175.510 0.094 0.000 1.078 277 N CA 0.021 53.114 53.050 0.072 0.000 0.942 277 N CB 1.058 39.570 38.487 0.042 0.000 1.140 277 N HN 0.608 nan 8.380 nan 0.000 0.501 278 F N 2.962 122.898 119.950 -0.023 0.000 2.361 278 F HA 0.273 4.800 4.527 -0.000 0.000 0.364 278 F C -0.193 175.594 175.800 -0.022 0.000 1.117 278 F CA -0.849 57.139 58.000 -0.020 0.000 1.071 278 F CB 0.822 39.805 39.000 -0.029 0.000 1.188 278 F HN 0.043 nan 8.300 nan 0.000 0.464 279 V N 7.366 127.211 119.914 -0.114 0.000 2.432 279 V HA 0.224 4.344 4.120 -0.000 0.000 0.275 279 V C 0.081 176.200 176.094 0.041 0.000 1.043 279 V CA -0.674 61.615 62.300 -0.019 0.000 0.925 279 V CB 1.329 33.103 31.823 -0.080 0.000 0.985 279 V HN 0.570 nan 8.190 nan 0.000 0.466 280 L N 5.590 126.894 121.223 0.135 0.000 2.262 280 L HA 0.510 4.850 4.340 -0.000 0.000 0.288 280 L C -0.410 176.547 176.870 0.145 0.000 1.035 280 L CA -0.253 54.677 54.840 0.151 0.000 0.820 280 L CB 0.560 42.693 42.059 0.123 0.000 1.204 280 L HN 0.689 nan 8.230 nan 0.000 0.424 281 H N 2.483 121.559 119.070 0.009 0.000 2.690 281 H HA 0.846 5.402 4.556 -0.000 0.000 0.368 281 H C -0.032 175.315 175.328 0.032 0.000 1.150 281 H CA -0.014 56.042 56.048 0.014 0.000 1.174 281 H CB 2.068 31.837 29.762 0.011 0.000 1.684 281 H HN 0.648 nan 8.280 nan 0.000 0.538 282 G N 2.518 111.304 108.800 -0.024 0.000 2.217 282 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.173 282 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.173 282 G C -0.652 174.260 174.900 0.021 0.000 1.324 282 G CA 0.277 45.339 45.100 -0.064 0.000 1.225 282 G HN 0.653 nan 8.290 nan 0.000 0.494 283 H N -0.263 118.788 119.070 -0.031 0.000 3.051 283 H HA 0.316 4.872 4.556 -0.000 0.000 0.218 283 H C 0.647 175.905 175.328 -0.117 0.000 0.898 283 H CA 0.252 56.296 56.048 -0.007 0.000 0.989 283 H CB 0.506 30.284 29.762 0.027 0.000 1.343 283 H HN 0.334 nan 8.280 nan 0.000 0.499 284 N N 3.192 121.820 118.700 -0.119 0.000 2.408 284 N HA 0.050 4.790 4.740 -0.000 0.000 0.257 284 N C -1.934 173.526 175.510 -0.085 0.000 1.064 284 N CA -1.548 51.367 53.050 -0.226 0.000 0.952 284 N CB 1.598 39.921 38.487 -0.274 0.000 1.093 284 N HN 0.157 nan 8.380 nan 0.000 0.490 285 P HA -0.039 nan 4.420 nan 0.000 0.237 285 P C 1.407 178.631 177.300 -0.127 0.000 1.178 285 P CA 0.452 63.471 63.100 -0.134 0.000 0.766 285 P CB 0.467 32.056 31.700 -0.184 0.000 0.876 286 L N -1.231 120.048 121.223 0.094 0.000 2.191 286 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 286 L C 2.412 179.502 176.870 0.365 0.000 1.103 286 L CA 0.910 55.945 54.840 0.326 0.000 0.769 286 L CB -0.660 41.470 42.059 0.119 0.000 0.908 286 L HN 0.069 nan 8.230 nan 0.000 0.438 287 L N -0.894 120.381 121.223 0.086 0.000 2.187 287 L HA -0.048 4.292 4.340 -0.000 0.000 0.197 287 L C 2.742 179.552 176.870 -0.100 0.000 1.090 287 L CA 1.871 56.630 54.840 -0.135 0.000 0.781 287 L CB -0.747 41.089 42.059 -0.372 0.000 0.956 287 L HN 0.238 nan 8.230 nan 0.000 0.463 288 S N -0.864 114.767 115.700 -0.114 0.000 2.365 288 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 288 S C 1.842 176.349 174.600 -0.155 0.000 1.039 288 S CA 1.368 59.502 58.200 -0.110 0.000 1.033 288 S CB -0.936 62.209 63.200 -0.092 0.000 0.887 288 S HN 0.543 nan 8.310 nan 0.000 0.447 289 E N 1.082 121.128 120.200 -0.257 0.000 2.097 289 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 289 E C 2.144 178.646 176.600 -0.163 0.000 1.000 289 E CA 1.157 57.362 56.400 -0.325 0.000 0.804 289 E CB -0.344 28.877 29.700 -0.798 0.000 0.740 289 E HN 0.529 nan 8.360 nan 0.000 0.454 290 I N 0.979 121.498 120.570 -0.084 0.000 2.353 290 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 290 I C 2.360 178.429 176.117 -0.080 0.000 1.119 290 I CA 0.578 61.841 61.300 -0.061 0.000 1.417 290 I CB -0.894 37.129 38.000 0.039 0.000 1.078 290 I HN 0.067 nan 8.210 nan 0.000 0.421 291 I N 0.646 121.155 120.570 -0.101 0.000 2.226 291 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 291 I C 2.744 178.737 176.117 -0.207 0.000 1.100 291 I CA 1.169 62.356 61.300 -0.188 0.000 1.374 291 I CB -1.092 36.766 38.000 -0.238 0.000 1.057 291 I HN 0.037 nan 8.210 nan 0.000 0.413 292 V N 0.603 120.420 119.914 -0.163 0.000 2.287 292 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 292 V C 2.582 178.603 176.094 -0.121 0.000 1.053 292 V CA 1.770 63.986 62.300 -0.140 0.000 1.027 292 V CB -0.764 30.988 31.823 -0.117 0.000 0.646 292 V HN 0.457 nan 8.190 nan 0.000 0.447 293 Q N -0.559 119.177 119.800 -0.106 0.000 2.050 293 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 293 Q C 2.425 178.370 176.000 -0.092 0.000 0.980 293 Q CA 1.771 57.523 55.803 -0.087 0.000 0.840 293 Q CB -0.404 28.287 28.738 -0.079 0.000 0.898 293 Q HN 0.677 nan 8.270 nan 0.000 0.424 294 A N 0.863 123.620 122.820 -0.105 0.000 1.933 294 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 294 A C 2.252 179.762 177.584 -0.122 0.000 1.175 294 A CA 1.590 53.565 52.037 -0.103 0.000 0.628 294 A CB -0.788 18.150 19.000 -0.103 0.000 0.814 294 A HN 0.429 nan 8.150 nan 0.000 0.444 295 A N -0.028 122.695 122.820 -0.162 0.000 1.908 295 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 295 A C 2.222 179.737 177.584 -0.115 0.000 1.181 295 A CA 1.648 53.584 52.037 -0.169 0.000 0.627 295 A CB -0.471 18.407 19.000 -0.204 0.000 0.818 295 A HN 0.573 nan 8.150 nan 0.000 0.445 296 R N -0.156 120.286 120.500 -0.097 0.000 2.091 296 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 296 R C 1.756 178.018 176.300 -0.064 0.000 1.136 296 R CA 1.622 57.678 56.100 -0.074 0.000 0.959 296 R CB -0.327 29.935 30.300 -0.063 0.000 0.856 296 R HN 0.667 nan 8.270 nan 0.000 0.437 297 E N -0.189 119.973 120.200 -0.064 0.000 2.516 297 E HA -0.058 4.292 4.350 -0.000 0.000 0.199 297 E C 0.931 177.500 176.600 -0.050 0.000 1.069 297 E CA 0.576 56.945 56.400 -0.051 0.000 0.876 297 E CB 0.229 29.900 29.700 -0.048 0.000 0.843 297 E HN 0.348 nan 8.360 nan 0.000 0.530 298 M N -0.057 119.506 119.600 -0.062 0.000 2.502 298 M HA 0.096 4.576 4.480 -0.000 0.000 0.351 298 M C 0.902 177.166 176.300 -0.061 0.000 1.118 298 M CA -0.107 55.159 55.300 -0.057 0.000 0.952 298 M CB 0.934 33.496 32.600 -0.063 0.000 1.424 298 M HN -0.114 nan 8.290 nan 0.000 0.529 299 E N 0.886 121.049 120.200 -0.062 0.000 2.118 299 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 299 E C 1.979 178.547 176.600 -0.054 0.000 0.992 299 E CA 1.650 58.011 56.400 -0.065 0.000 0.804 299 E CB -0.207 29.459 29.700 -0.057 0.000 0.741 299 E HN 0.640 nan 8.360 nan 0.000 0.458 300 G N 1.549 110.325 108.800 -0.041 0.000 2.491 300 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 300 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 300 G C 1.410 176.295 174.900 -0.026 0.000 1.180 300 G CA 0.885 45.968 45.100 -0.029 0.000 0.774 300 G HN 0.322 nan 8.290 nan 0.000 0.562 301 E N 0.628 120.813 120.200 -0.026 0.000 2.204 301 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 301 E C 2.846 179.431 176.600 -0.026 0.000 0.989 301 E CA 0.510 56.901 56.400 -0.016 0.000 0.824 301 E CB -0.112 29.582 29.700 -0.009 0.000 0.756 301 E HN 0.442 nan 8.360 nan 0.000 0.477 302 A N 2.001 124.786 122.820 -0.057 0.000 1.873 302 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 302 A C 1.993 179.516 177.584 -0.101 0.000 1.186 302 A CA 1.310 53.282 52.037 -0.109 0.000 0.616 302 A CB -0.204 18.708 19.000 -0.147 0.000 0.823 302 A HN 0.021 nan 8.150 nan 0.000 0.442 303 K N -0.171 120.188 120.400 -0.068 0.000 2.026 303 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 303 K C 2.147 178.746 176.600 -0.002 0.000 1.048 303 K CA 1.139 57.403 56.287 -0.039 0.000 0.929 303 K CB -0.339 32.143 32.500 -0.030 0.000 0.713 303 K HN 0.411 nan 8.250 nan 0.000 0.439 304 A N 1.068 123.888 122.820 0.001 0.000 2.125 304 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 304 A C 2.054 179.663 177.584 0.042 0.000 1.156 304 A CA 1.645 53.693 52.037 0.019 0.000 0.671 304 A CB -0.432 18.576 19.000 0.013 0.000 0.794 304 A HN 0.335 nan 8.150 nan 0.000 0.459 305 A N -2.200 120.651 122.820 0.052 0.000 2.308 305 A HA 0.454 4.774 4.320 -0.000 0.000 0.217 305 A C 1.618 179.325 177.584 0.205 0.000 1.216 305 A CA 1.059 53.164 52.037 0.114 0.000 0.864 305 A CB -0.508 18.564 19.000 0.120 0.000 0.902 305 A HN 1.754 nan 8.150 nan 0.000 0.499 306 G N -2.161 106.733 108.800 0.157 0.000 2.159 306 G HA2 0.169 4.129 3.960 -0.000 0.000 0.227 306 G HA3 0.169 4.129 3.960 -0.000 0.000 0.227 306 G C 0.301 175.381 174.900 0.300 0.000 0.986 306 G CA 0.132 45.370 45.100 0.230 0.000 0.651 306 G HN 1.515 nan 8.290 nan 0.000 0.523 307 A N -0.548 122.285 122.820 0.021 0.000 2.306 307 A HA 0.839 5.159 4.320 -0.000 0.000 0.330 307 A C 1.010 178.514 177.584 -0.134 0.000 1.146 307 A CA 0.103 51.971 52.037 -0.282 0.000 0.827 307 A CB 0.868 19.254 19.000 -1.024 0.000 1.178 307 A HN 0.099 nan 8.150 nan 0.000 0.490 308 K N 0.264 120.607 120.400 -0.095 0.000 2.439 308 K HA 0.310 4.630 4.320 -0.000 0.000 0.197 308 K C 0.826 177.374 176.600 -0.087 0.000 1.041 308 K CA 1.206 57.460 56.287 -0.056 0.000 0.970 308 K CB 0.019 32.505 32.500 -0.022 0.000 0.773 308 K HN 1.132 nan 8.250 nan 0.000 0.479 309 G N -0.822 107.889 108.800 -0.149 0.000 2.343 309 G HA2 0.181 4.141 3.960 -0.000 0.000 0.289 309 G HA3 0.181 4.141 3.960 -0.000 0.000 0.289 309 G C -1.617 173.182 174.900 -0.169 0.000 1.295 309 G CA -1.079 43.939 45.100 -0.136 0.000 0.869 309 G HN -0.039 nan 8.290 nan 0.000 0.522 310 I N 1.221 121.717 120.570 -0.124 0.000 2.339 310 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 310 I C -0.414 175.662 176.117 -0.069 0.000 0.994 310 I CA -0.717 60.520 61.300 -0.106 0.000 1.191 310 I CB 1.756 39.691 38.000 -0.108 0.000 1.343 310 I HN 0.355 nan 8.210 nan 0.000 0.458 311 N N 7.902 126.579 118.700 -0.038 0.000 2.699 311 N HA 0.359 5.099 4.740 -0.000 0.000 0.232 311 N C -1.004 174.523 175.510 0.027 0.000 1.027 311 N CA -0.338 52.703 53.050 -0.014 0.000 0.920 311 N CB 0.529 39.009 38.487 -0.012 0.000 1.148 311 N HN 0.480 nan 8.380 nan 0.000 0.509 312 L N 2.939 124.169 121.223 0.012 0.000 2.331 312 L HA 0.432 4.772 4.340 -0.000 0.000 0.278 312 L C 0.087 176.980 176.870 0.039 0.000 1.106 312 L CA -0.746 54.123 54.840 0.047 0.000 0.824 312 L CB 0.639 42.688 42.059 -0.016 0.000 1.142 312 L HN 0.262 nan 8.230 nan 0.000 0.443 313 V N 0.046 119.999 119.914 0.065 0.000 3.007 313 V HA 0.981 5.101 4.120 -0.000 0.000 0.311 313 V C -0.116 176.001 176.094 0.038 0.000 1.120 313 V CA -0.543 61.775 62.300 0.030 0.000 0.980 313 V CB 1.614 33.444 31.823 0.011 0.000 1.033 313 V HN 0.728 nan 8.190 nan 0.000 0.429 314 G N 1.399 110.210 108.800 0.018 0.000 2.511 314 G HA2 0.842 4.802 3.960 -0.000 0.000 0.318 314 G HA3 0.842 4.802 3.960 -0.000 0.000 0.318 314 G C -1.309 173.591 174.900 0.000 0.000 1.210 314 G CA -0.924 44.190 45.100 0.022 0.000 0.969 314 G HN 0.852 nan 8.290 nan 0.000 0.484 315 I N -0.497 120.076 120.570 0.005 0.000 2.769 315 I HA 0.342 4.512 4.170 -0.000 0.000 0.298 315 I C 0.371 176.522 176.117 0.056 0.000 1.128 315 I CA -0.464 60.806 61.300 -0.050 0.000 1.031 315 I CB 1.964 39.791 38.000 -0.288 0.000 1.235 315 I HN 0.746 nan 8.210 nan 0.000 0.423 316 C N 2.025 121.361 119.300 0.061 0.000 0.168 316 C HA -0.289 4.171 4.460 -0.000 0.000 0.017 316 C C 2.303 177.288 174.990 -0.009 0.000 0.171 316 C CA 0.088 59.159 59.018 0.089 0.000 0.499 316 C CB -1.530 26.349 27.740 0.231 0.000 3.212 316 C HN 1.058 nan 8.230 nan 0.000 1.118 317 C N 1.083 120.258 119.300 -0.208 0.000 2.413 317 C HA -0.127 4.333 4.460 -0.000 0.000 0.276 317 C C 2.657 177.587 174.990 -0.099 0.000 1.248 317 C CA 2.150 61.038 59.018 -0.217 0.000 1.742 317 C CB -1.864 25.597 27.740 -0.464 0.000 2.017 317 C HN 1.055 nan 8.230 nan 0.000 0.481 318 T N -0.754 113.739 114.554 -0.101 0.000 2.867 318 T HA -0.026 4.324 4.350 -0.000 0.000 0.268 318 T C 1.928 176.622 174.700 -0.010 0.000 1.057 318 T CA 1.674 63.755 62.100 -0.031 0.000 1.136 318 T CB -0.718 68.139 68.868 -0.018 0.000 0.874 318 T HN 0.537 nan 8.240 nan 0.000 0.466 319 G N 2.038 110.845 108.800 0.012 0.000 2.446 319 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 319 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 319 G C 1.744 176.656 174.900 0.020 0.000 1.168 319 G CA 0.704 45.817 45.100 0.022 0.000 0.771 319 G HN 0.468 nan 8.290 nan 0.000 0.551 320 N N 0.701 119.426 118.700 0.042 0.000 2.166 320 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 320 N C 2.179 177.684 175.510 -0.008 0.000 1.019 320 N CA 0.967 54.054 53.050 0.061 0.000 0.856 320 N CB -0.222 38.364 38.487 0.164 0.000 0.993 320 N HN 0.328 nan 8.380 nan 0.000 0.426 321 E N 0.630 120.832 120.200 0.005 0.000 2.038 321 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 321 E C 2.105 178.675 176.600 -0.049 0.000 1.000 321 E CA 1.286 57.681 56.400 -0.008 0.000 0.803 321 E CB -0.485 29.212 29.700 -0.004 0.000 0.750 321 E HN 0.381 nan 8.360 nan 0.000 0.448 322 V N -0.262 119.615 119.914 -0.061 0.000 3.041 322 V HA -0.093 4.027 4.120 -0.000 0.000 0.260 322 V C 2.300 178.355 176.094 -0.065 0.000 1.105 322 V CA 1.040 63.295 62.300 -0.076 0.000 1.125 322 V CB -0.633 31.144 31.823 -0.076 0.000 0.730 322 V HN 0.062 nan 8.190 nan 0.000 0.479 323 L N -0.288 120.898 121.223 -0.062 0.000 2.068 323 L HA 0.067 4.407 4.340 -0.000 0.000 0.204 323 L C 2.382 179.185 176.870 -0.113 0.000 1.076 323 L CA 2.008 56.804 54.840 -0.074 0.000 0.753 323 L CB -0.634 41.388 42.059 -0.062 0.000 0.910 323 L HN 0.128 nan 8.230 nan 0.000 0.439 324 M N -0.499 119.016 119.600 -0.142 0.000 2.213 324 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 324 M C 2.279 178.521 176.300 -0.095 0.000 1.062 324 M CA 1.665 56.873 55.300 -0.154 0.000 1.105 324 M CB -0.883 31.638 32.600 -0.132 0.000 1.385 324 M HN 0.368 nan 8.290 nan 0.000 0.417 325 R N -1.062 119.400 120.500 -0.063 0.000 2.221 325 R HA 0.074 4.414 4.340 -0.000 0.000 0.195 325 R C 1.494 177.769 176.300 -0.042 0.000 0.956 325 R CA 0.328 56.408 56.100 -0.034 0.000 1.064 325 R CB 0.380 30.683 30.300 0.005 0.000 1.049 325 R HN 0.328 nan 8.270 nan 0.000 0.534 326 Q N -0.606 119.160 119.800 -0.056 0.000 2.189 326 Q HA 0.215 4.555 4.340 -0.000 0.000 0.223 326 Q C 0.761 176.728 176.000 -0.055 0.000 0.828 326 Q CA 0.561 56.331 55.803 -0.053 0.000 0.967 326 Q CB 1.735 30.436 28.738 -0.060 0.000 1.139 326 Q HN 0.469 nan 8.270 nan 0.000 0.497 327 G N 1.666 110.428 108.800 -0.063 0.000 2.155 327 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 327 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 327 G C 0.270 175.142 174.900 -0.046 0.000 0.983 327 G CA -0.055 45.010 45.100 -0.058 0.000 0.676 327 G HN 0.269 nan 8.290 nan 0.000 0.528 328 I N 2.403 122.946 120.570 -0.045 0.000 2.668 328 I HA 0.155 4.325 4.170 -0.000 0.000 0.285 328 I C -1.057 175.047 176.117 -0.022 0.000 1.168 328 I CA -2.214 59.066 61.300 -0.033 0.000 1.424 328 I CB -0.017 37.963 38.000 -0.033 0.000 1.377 328 I HN 0.050 nan 8.210 nan 0.000 0.560 329 P HA 0.204 nan 4.420 nan 0.000 0.274 329 P C -0.799 176.500 177.300 -0.001 0.000 1.231 329 P CA -0.406 62.689 63.100 -0.008 0.000 0.790 329 P CB 1.039 32.732 31.700 -0.011 0.000 0.951 330 L N 2.327 123.553 121.223 0.005 0.000 2.289 330 L HA 0.185 4.525 4.340 -0.000 0.000 0.285 330 L C 1.785 178.651 176.870 -0.008 0.000 1.049 330 L CA -0.757 54.086 54.840 0.006 0.000 0.804 330 L CB 1.361 43.434 42.059 0.024 0.000 1.195 330 L HN 0.179 nan 8.230 nan 0.000 0.428 331 V N 0.519 120.420 119.914 -0.021 0.000 2.379 331 V HA 0.056 4.176 4.120 -0.000 0.000 0.243 331 V C 0.865 176.936 176.094 -0.038 0.000 1.035 331 V CA 1.129 63.407 62.300 -0.035 0.000 1.035 331 V CB -0.055 31.737 31.823 -0.051 0.000 0.673 331 V HN 0.909 nan 8.190 nan 0.000 0.457 332 T N -1.442 113.087 114.554 -0.042 0.000 2.677 332 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 332 T C -0.734 173.949 174.700 -0.028 0.000 1.569 332 T CA 0.170 62.249 62.100 -0.034 0.000 0.984 332 T CB 1.641 70.480 68.868 -0.049 0.000 1.629 332 T HN 0.546 nan 8.240 nan 0.000 0.494 333 S N 0.298 115.998 115.700 0.002 0.000 2.748 333 S HA 0.601 5.071 4.470 -0.000 0.000 0.299 333 S C 1.041 175.676 174.600 0.057 0.000 1.119 333 S CA -0.491 57.736 58.200 0.046 0.000 0.997 333 S CB 0.389 63.638 63.200 0.082 0.000 1.223 333 S HN 0.682 nan 8.310 nan 0.000 0.541 334 F N 1.859 121.816 119.950 0.013 0.000 2.024 334 F HA -0.189 4.338 4.527 -0.000 0.000 0.296 334 F C 2.597 178.407 175.800 0.017 0.000 1.137 334 F CA 2.505 60.526 58.000 0.035 0.000 1.200 334 F CB -1.228 37.821 39.000 0.081 0.000 0.954 334 F HN 0.687 nan 8.300 nan 0.000 0.497 335 A N -0.682 122.002 122.820 -0.226 0.000 2.032 335 A HA -0.198 4.122 4.320 -0.000 0.000 0.221 335 A C 1.962 179.406 177.584 -0.234 0.000 1.165 335 A CA 2.123 53.920 52.037 -0.401 0.000 0.645 335 A CB -1.252 17.644 19.000 -0.173 0.000 0.807 335 A HN 0.566 nan 8.150 nan 0.000 0.453 336 S N -0.526 115.148 115.700 -0.043 0.000 2.574 336 S HA 0.128 4.598 4.470 -0.000 0.000 0.242 336 S C 1.338 175.902 174.600 -0.060 0.000 0.982 336 S CA 0.214 58.456 58.200 0.070 0.000 0.977 336 S CB -0.147 63.118 63.200 0.108 0.000 0.814 336 S HN 0.792 nan 8.310 nan 0.000 0.464 337 Q N 1.942 121.640 119.800 -0.169 0.000 2.135 337 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 337 Q C 1.332 177.254 176.000 -0.131 0.000 0.981 337 Q CA 1.747 57.431 55.803 -0.200 0.000 0.856 337 Q CB -0.700 27.863 28.738 -0.292 0.000 0.902 337 Q HN 0.657 nan 8.270 nan 0.000 0.425 338 E N 1.237 121.382 120.200 -0.092 0.000 2.106 338 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 338 E C 2.123 178.684 176.600 -0.065 0.000 0.984 338 E CA 1.021 57.389 56.400 -0.055 0.000 0.806 338 E CB -0.101 29.591 29.700 -0.015 0.000 0.750 338 E HN 0.337 nan 8.360 nan 0.000 0.458 339 L N 0.712 121.908 121.223 -0.046 0.000 2.191 339 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 339 L C 2.539 179.341 176.870 -0.114 0.000 1.103 339 L CA 0.758 55.556 54.840 -0.069 0.000 0.769 339 L CB -0.490 41.536 42.059 -0.056 0.000 0.908 339 L HN 0.170 nan 8.230 nan 0.000 0.438 340 A N 0.485 123.237 122.820 -0.114 0.000 1.933 340 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 340 A C 2.185 179.663 177.584 -0.177 0.000 1.175 340 A CA 1.498 53.458 52.037 -0.128 0.000 0.628 340 A CB -0.579 18.349 19.000 -0.120 0.000 0.814 340 A HN 0.388 nan 8.150 nan 0.000 0.444 341 I N -0.681 119.768 120.570 -0.202 0.000 2.394 341 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 341 I C 1.992 177.739 176.117 -0.618 0.000 1.136 341 I CA 0.693 61.818 61.300 -0.292 0.000 1.425 341 I CB -0.442 37.441 38.000 -0.195 0.000 1.079 341 I HN 0.319 nan 8.210 nan 0.000 0.425 342 C N 1.030 120.003 119.300 -0.546 0.000 2.443 342 C HA -0.100 4.360 4.460 -0.000 0.000 0.290 342 C C 2.945 177.653 174.990 -0.469 0.000 1.476 342 C CA 1.469 60.059 59.018 -0.713 0.000 1.772 342 C CB -1.732 25.886 27.740 -0.202 0.000 1.714 342 C HN 0.617 nan 8.230 nan 0.000 0.562 343 T N -2.386 111.981 114.554 -0.310 0.000 3.035 343 T HA 0.172 4.521 4.350 -0.000 0.000 0.268 343 T C 1.761 176.390 174.700 -0.118 0.000 1.109 343 T CA 1.468 63.487 62.100 -0.135 0.000 1.119 343 T CB -0.333 68.461 68.868 -0.124 0.000 0.900 343 T HN 0.868 nan 8.240 nan 0.000 0.503 344 G N 0.845 109.486 108.800 -0.266 0.000 2.184 344 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.264 344 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.264 344 G C 0.841 175.734 174.900 -0.012 0.000 0.975 344 G CA 0.073 45.133 45.100 -0.066 0.000 0.642 344 G HN 1.280 nan 8.290 nan 0.000 0.536 345 A N -0.311 122.479 122.820 -0.049 0.000 2.390 345 A HA 0.637 4.957 4.320 -0.000 0.000 0.232 345 A C 0.851 178.435 177.584 0.001 0.000 1.233 345 A CA 0.126 52.160 52.037 -0.005 0.000 0.907 345 A CB 0.204 19.198 19.000 -0.009 0.000 0.967 345 A HN 0.446 nan 8.150 nan 0.000 0.512 346 I N 1.791 122.335 120.570 -0.044 0.000 2.363 346 I HA 0.095 4.265 4.170 -0.000 0.000 0.292 346 I C 0.034 176.138 176.117 -0.022 0.000 1.075 346 I CA -0.063 61.208 61.300 -0.049 0.000 1.333 346 I CB 0.348 38.288 38.000 -0.099 0.000 1.415 346 I HN 0.215 nan 8.210 nan 0.000 0.502 347 D N 5.126 125.530 120.400 0.006 0.000 2.213 347 D HA 0.166 4.806 4.640 -0.000 0.000 0.205 347 D C 0.658 176.920 176.300 -0.062 0.000 0.961 347 D CA 0.763 54.783 54.000 0.033 0.000 0.853 347 D CB 0.915 41.798 40.800 0.139 0.000 0.967 347 D HN 0.623 nan 8.370 nan 0.000 0.496 348 A N 0.393 123.100 122.820 -0.188 0.000 2.555 348 A HA 0.554 4.874 4.320 -0.000 0.000 0.297 348 A C -1.391 175.876 177.584 -0.528 0.000 1.060 348 A CA -0.609 51.205 52.037 -0.372 0.000 0.710 348 A CB 1.584 20.289 19.000 -0.492 0.000 1.282 348 A HN 0.050 nan 8.150 nan 0.000 0.399 349 M N 3.232 122.601 119.600 -0.386 0.000 2.046 349 M HA 0.461 4.941 4.480 -0.000 0.000 0.309 349 M C -1.271 174.876 176.300 -0.255 0.000 0.935 349 M CA -0.330 54.797 55.300 -0.288 0.000 0.915 349 M CB 0.700 33.226 32.600 -0.123 0.000 1.474 349 M HN 0.822 nan 8.290 nan 0.000 0.415 350 C N 5.201 124.318 119.300 -0.306 0.000 2.325 350 C HA 0.779 5.239 4.460 -0.000 0.000 0.347 350 C C -0.409 174.571 174.990 -0.017 0.000 1.263 350 C CA -0.243 58.706 59.018 -0.115 0.000 1.806 350 C CB 0.553 28.324 27.740 0.052 0.000 2.405 350 C HN 0.790 nan 8.230 nan 0.000 0.537 351 V N 5.955 125.857 119.914 -0.021 0.000 3.001 351 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 351 V C -0.181 175.889 176.094 -0.041 0.000 1.099 351 V CA -0.158 62.120 62.300 -0.037 0.000 0.989 351 V CB 2.439 34.227 31.823 -0.058 0.000 1.040 351 V HN 1.044 nan 8.190 nan 0.000 0.434 352 D N 3.136 123.505 120.400 -0.052 0.000 3.013 352 D HA 0.355 4.995 4.640 -0.000 0.000 0.235 352 D C 0.131 176.433 176.300 0.003 0.000 1.540 352 D CA 0.887 54.876 54.000 -0.018 0.000 1.303 352 D CB 0.253 41.036 40.800 -0.027 0.000 0.980 352 D HN 0.679 nan 8.370 nan 0.000 0.250 353 V N -3.649 116.269 119.914 0.007 0.000 3.078 353 V HA 0.657 4.777 4.120 -0.000 0.000 0.311 353 V C -1.591 174.500 176.094 -0.004 0.000 1.138 353 V CA -1.088 61.213 62.300 0.002 0.000 1.007 353 V CB 1.075 32.901 31.823 0.005 0.000 1.045 353 V HN 0.553 nan 8.190 nan 0.000 0.432 354 Q N 0.764 120.530 119.800 -0.056 0.000 3.203 354 Q HA -0.129 4.211 4.340 -0.000 0.000 0.033 354 Q C 0.250 176.269 176.000 0.031 0.000 1.693 354 Q CA 0.243 55.971 55.803 -0.126 0.000 0.254 354 Q CB -1.315 27.123 28.738 -0.501 0.000 0.583 354 Q HN 1.985 nan 8.270 nan 0.000 0.322 355 C N 0.969 120.302 119.300 0.055 0.000 4.356 355 C HA -0.202 4.258 4.460 -0.000 0.000 0.296 355 C C 0.534 175.772 174.990 0.414 0.000 1.424 355 C CA 0.806 59.958 59.018 0.224 0.000 2.000 355 C CB -2.280 25.584 27.740 0.207 0.000 1.262 355 C HN 0.504 nan 8.230 nan 0.000 0.789 356 I N 0.376 121.067 120.570 0.202 0.000 2.328 356 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 356 I C 0.569 176.794 176.117 0.179 0.000 1.012 356 I CA -0.104 61.282 61.300 0.143 0.000 1.195 356 I CB 0.767 38.739 38.000 -0.046 0.000 1.350 356 I HN 0.222 nan 8.210 nan 0.000 0.464 357 M N 8.903 128.622 119.600 0.198 0.000 2.364 357 M HA 0.112 4.592 4.480 -0.000 0.000 0.342 357 M C -1.177 175.168 176.300 0.075 0.000 1.601 357 M CA -1.230 54.133 55.300 0.105 0.000 1.156 357 M CB 0.405 33.011 32.600 0.010 0.000 1.912 357 M HN 0.330 nan 8.290 nan 0.000 0.460 358 P HA -0.127 nan 4.420 nan 0.000 0.225 358 P C 0.821 178.143 177.300 0.036 0.000 1.148 358 P CA 1.174 64.302 63.100 0.046 0.000 0.779 358 P CB -0.109 31.614 31.700 0.038 0.000 0.780 359 S N 0.425 116.144 115.700 0.032 0.000 2.507 359 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 359 S C 2.040 176.654 174.600 0.025 0.000 0.988 359 S CA 0.702 58.916 58.200 0.024 0.000 0.944 359 S CB -1.620 61.591 63.200 0.019 0.000 0.762 359 S HN 0.336 nan 8.310 nan 0.000 0.526 360 I N 1.556 122.143 120.570 0.028 0.000 2.454 360 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 360 I C 2.374 178.503 176.117 0.020 0.000 1.156 360 I CA 1.383 62.697 61.300 0.024 0.000 1.433 360 I CB -1.019 37.001 38.000 0.033 0.000 1.082 360 I HN 0.416 nan 8.210 nan 0.000 0.432 361 S N 2.014 117.726 115.700 0.021 0.000 2.387 361 S HA 0.061 4.531 4.470 -0.000 0.000 0.226 361 S C 2.243 176.849 174.600 0.011 0.000 1.026 361 S CA 0.618 58.827 58.200 0.014 0.000 0.972 361 S CB -0.513 62.701 63.200 0.024 0.000 0.814 361 S HN 0.564 nan 8.310 nan 0.000 0.477 362 A N 1.342 124.171 122.820 0.015 0.000 1.929 362 A HA 0.187 4.507 4.320 -0.000 0.000 0.216 362 A C 2.360 179.952 177.584 0.015 0.000 1.176 362 A CA 1.306 53.348 52.037 0.008 0.000 0.628 362 A CB -0.895 18.111 19.000 0.010 0.000 0.816 362 A HN 0.427 nan 8.150 nan 0.000 0.444 363 V N -0.152 119.786 119.914 0.040 0.000 2.379 363 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 363 V C 3.026 179.208 176.094 0.147 0.000 1.044 363 V CA 1.741 64.097 62.300 0.094 0.000 1.036 363 V CB -1.113 30.762 31.823 0.087 0.000 0.664 363 V HN 0.577 nan 8.190 nan 0.000 0.453 364 A N -0.504 122.365 122.820 0.081 0.000 2.019 364 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 364 A C 2.234 179.831 177.584 0.021 0.000 1.164 364 A CA 1.888 53.970 52.037 0.075 0.000 0.644 364 A CB -0.534 18.467 19.000 0.003 0.000 0.805 364 A HN 0.627 nan 8.150 nan 0.000 0.449 365 E N -0.737 119.443 120.200 -0.034 0.000 2.265 365 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 365 E C 1.443 177.894 176.600 -0.250 0.000 0.996 365 E CA 1.316 57.644 56.400 -0.120 0.000 0.832 365 E CB -0.251 29.403 29.700 -0.078 0.000 0.756 365 E HN 0.680 nan 8.360 nan 0.000 0.491 366 C N -0.260 118.905 119.300 -0.225 0.000 2.514 366 C HA 0.020 4.480 4.460 -0.000 0.000 0.271 366 C C 1.047 175.623 174.990 -0.689 0.000 1.399 366 C CA -0.042 58.693 59.018 -0.472 0.000 1.765 366 C CB -0.847 26.556 27.740 -0.562 0.000 1.893 366 C HN 0.470 nan 8.230 nan 0.000 0.531 367 Y N -1.779 118.403 120.300 -0.197 0.000 2.675 367 Y HA 0.250 4.800 4.550 -0.000 0.000 0.248 367 Y C 0.825 176.696 175.900 -0.048 0.000 1.161 367 Y CA -0.400 57.636 58.100 -0.106 0.000 1.203 367 Y CB -0.760 37.676 38.460 -0.040 0.000 1.262 367 Y HN 0.315 nan 8.280 nan 0.000 0.544 368 H N -0.487 118.628 119.070 0.075 0.000 2.791 368 H HA -0.152 4.404 4.556 -0.000 0.000 0.302 368 H C -0.206 175.130 175.328 0.014 0.000 1.198 368 H CA 1.060 57.124 56.048 0.027 0.000 1.145 368 H CB -1.761 28.010 29.762 0.014 0.000 1.385 368 H HN 0.219 nan 8.280 nan 0.000 0.409 369 T N 1.829 116.425 114.554 0.070 0.000 2.909 369 T HA 0.380 4.730 4.350 -0.000 0.000 0.286 369 T C 1.033 175.690 174.700 -0.072 0.000 1.002 369 T CA -0.826 61.277 62.100 0.004 0.000 1.074 369 T CB 1.499 70.358 68.868 -0.015 0.000 0.984 369 T HN 0.123 nan 8.240 nan 0.000 0.495 370 R N 2.694 123.116 120.500 -0.131 0.000 2.221 370 R HA 0.366 4.706 4.340 -0.000 0.000 0.327 370 R C -0.451 175.716 176.300 -0.220 0.000 1.033 370 R CA -0.602 55.348 56.100 -0.250 0.000 0.887 370 R CB 0.597 30.724 30.300 -0.289 0.000 1.057 370 R HN 0.459 nan 8.270 nan 0.000 0.455 371 I N 5.509 125.962 120.570 -0.195 0.000 2.353 371 I HA 0.373 4.543 4.170 -0.000 0.000 0.293 371 I C 0.531 176.604 176.117 -0.075 0.000 0.992 371 I CA -0.755 60.480 61.300 -0.110 0.000 1.268 371 I CB 1.058 39.031 38.000 -0.045 0.000 1.387 371 I HN 0.441 nan 8.210 nan 0.000 0.478 372 I N 5.671 126.215 120.570 -0.043 0.000 2.439 372 I HA 0.208 4.378 4.170 -0.000 0.000 0.283 372 I C 0.362 176.506 176.117 0.045 0.000 1.023 372 I CA -0.519 60.801 61.300 0.033 0.000 1.100 372 I CB 1.939 39.954 38.000 0.025 0.000 1.238 372 I HN 0.557 nan 8.210 nan 0.000 0.445 373 T N 0.309 114.929 114.554 0.111 0.000 2.922 373 T HA 0.432 4.782 4.350 -0.000 0.000 0.285 373 T C 0.764 175.489 174.700 0.042 0.000 1.005 373 T CA -0.108 62.078 62.100 0.143 0.000 1.061 373 T CB 1.759 70.807 68.868 0.300 0.000 1.007 373 T HN 0.744 nan 8.240 nan 0.000 0.502 374 T N -2.778 111.799 114.554 0.039 0.000 3.046 374 T HA 0.506 4.856 4.350 -0.000 0.000 0.270 374 T C 0.601 175.377 174.700 0.127 0.000 0.920 374 T CA 0.041 62.115 62.100 -0.043 0.000 0.874 374 T CB 0.014 68.815 68.868 -0.111 0.000 1.214 374 T HN 0.992 nan 8.240 nan 0.000 0.536 375 A N 2.377 125.328 122.820 0.218 0.000 2.306 375 A HA 0.584 4.904 4.320 -0.000 0.000 0.314 375 A C 0.915 178.649 177.584 0.250 0.000 1.164 375 A CA -0.228 51.938 52.037 0.215 0.000 0.822 375 A CB 0.693 19.776 19.000 0.137 0.000 1.130 375 A HN 0.368 nan 8.150 nan 0.000 0.496 376 D N 0.429 120.926 120.400 0.161 0.000 2.348 376 D HA -0.167 4.473 4.640 -0.000 0.000 0.216 376 D C 0.603 176.909 176.300 0.010 0.000 0.970 376 D CA 1.348 55.401 54.000 0.089 0.000 0.889 376 D CB -0.418 40.412 40.800 0.051 0.000 0.912 376 D HN 0.735 nan 8.370 nan 0.000 0.524 377 N N -0.363 118.347 118.700 0.016 0.000 2.234 377 N HA 0.333 5.073 4.740 -0.000 0.000 0.227 377 N C -0.316 175.194 175.510 -0.000 0.000 1.151 377 N CA -0.487 52.558 53.050 -0.008 0.000 0.865 377 N CB 0.828 39.305 38.487 -0.017 0.000 1.066 377 N HN 0.143 nan 8.380 nan 0.000 0.515 378 A N 1.237 124.066 122.820 0.016 0.000 2.872 378 A HA 0.338 4.658 4.320 -0.000 0.000 0.305 378 A C -0.898 176.700 177.584 0.024 0.000 1.171 378 A CA -0.712 51.336 52.037 0.018 0.000 0.782 378 A CB 0.624 19.641 19.000 0.028 0.000 1.329 378 A HN 0.136 nan 8.150 nan 0.000 0.432 379 K N 0.816 121.202 120.400 -0.024 0.000 2.208 379 K HA 0.819 5.139 4.320 -0.000 0.000 0.247 379 K C -1.043 175.552 176.600 -0.008 0.000 0.953 379 K CA -0.614 55.644 56.287 -0.049 0.000 0.837 379 K CB 2.394 34.781 32.500 -0.188 0.000 1.131 379 K HN 0.557 nan 8.250 nan 0.000 0.431 380 I N 2.867 123.449 120.570 0.021 0.000 2.468 380 I HA 0.255 4.425 4.170 -0.000 0.000 0.284 380 I C -2.436 173.703 176.117 0.037 0.000 1.038 380 I CA -2.428 58.890 61.300 0.031 0.000 1.083 380 I CB 1.868 39.896 38.000 0.046 0.000 1.223 380 I HN 0.263 nan 8.210 nan 0.000 0.443 381 P HA 0.133 nan 4.420 nan 0.000 0.266 381 P C 0.934 178.261 177.300 0.045 0.000 1.195 381 P CA 0.760 63.879 63.100 0.030 0.000 0.768 381 P CB 0.717 32.428 31.700 0.017 0.000 0.838 382 G N 1.135 109.973 108.800 0.063 0.000 2.268 382 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.240 382 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.240 382 G C 0.325 175.284 174.900 0.099 0.000 1.010 382 G CA 0.028 45.171 45.100 0.071 0.000 0.618 382 G HN 0.873 nan 8.290 nan 0.000 0.516 383 A N -0.032 122.854 122.820 0.111 0.000 2.312 383 A HA 0.746 5.066 4.320 -0.000 0.000 0.326 383 A C 0.009 177.754 177.584 0.268 0.000 1.172 383 A CA -0.604 51.513 52.037 0.133 0.000 0.821 383 A CB 0.611 19.668 19.000 0.094 0.000 1.166 383 A HN 0.531 nan 8.150 nan 0.000 0.493 384 Y N 0.463 120.802 120.300 0.066 0.000 2.578 384 Y HA 0.143 4.693 4.550 -0.000 0.000 0.339 384 Y C 0.665 176.639 175.900 0.123 0.000 1.231 384 Y CA 0.454 58.602 58.100 0.081 0.000 1.461 384 Y CB 0.545 39.039 38.460 0.056 0.000 1.323 384 Y HN 0.854 nan 8.280 nan 0.000 0.590 385 H N 3.268 122.436 119.070 0.164 0.000 2.529 385 H HA 0.507 5.063 4.556 -0.000 0.000 0.348 385 H C -1.363 174.024 175.328 0.098 0.000 1.079 385 H CA -0.614 55.500 56.048 0.110 0.000 1.198 385 H CB 0.896 30.701 29.762 0.073 0.000 1.521 385 H HN 0.504 nan 8.280 nan 0.000 0.514 386 I N 3.812 124.068 120.570 -0.523 0.000 2.389 386 I HA 0.111 4.280 4.170 -0.000 0.000 0.288 386 I C -0.423 175.438 176.117 -0.426 0.000 0.999 386 I CA -0.830 60.300 61.300 -0.283 0.000 1.129 386 I CB 1.563 39.532 38.000 -0.052 0.000 1.288 386 I HN 0.647 nan 8.210 nan 0.000 0.444 387 D N 6.295 126.605 120.400 -0.151 0.000 2.498 387 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 387 D C -0.463 175.893 176.300 0.094 0.000 1.188 387 D CA -0.070 53.941 54.000 0.018 0.000 1.028 387 D CB -0.126 40.732 40.800 0.097 0.000 1.087 387 D HN 0.204 nan 8.370 nan 0.000 0.510 388 Y N 2.891 123.180 120.300 -0.019 0.000 2.650 388 Y HA 0.122 4.672 4.550 -0.000 0.000 0.331 388 Y C 0.015 175.970 175.900 0.092 0.000 1.165 388 Y CA 0.482 58.609 58.100 0.044 0.000 1.473 388 Y CB 0.291 38.788 38.460 0.060 0.000 1.224 388 Y HN 0.301 nan 8.280 nan 0.000 0.533 389 Q N 3.611 123.246 119.800 -0.274 0.000 2.356 389 Q HA 0.179 4.519 4.340 -0.000 0.000 0.270 389 Q C 0.996 176.826 176.000 -0.283 0.000 1.058 389 Q CA -0.005 55.699 55.803 -0.164 0.000 0.802 389 Q CB 1.969 30.672 28.738 -0.058 0.000 1.303 389 Q HN 0.847 nan 8.270 nan 0.000 0.444 390 T N -1.410 113.084 114.554 -0.100 0.000 2.759 390 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 390 T C 1.766 176.499 174.700 0.055 0.000 1.042 390 T CA 1.528 63.617 62.100 -0.019 0.000 1.140 390 T CB -0.150 68.681 68.868 -0.061 0.000 0.864 390 T HN 0.628 nan 8.240 nan 0.000 0.455 391 A N 1.941 124.766 122.820 0.008 0.000 2.019 391 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 391 A C 2.233 179.816 177.584 -0.002 0.000 1.164 391 A CA 1.705 53.752 52.037 0.016 0.000 0.644 391 A CB -0.817 18.187 19.000 0.008 0.000 0.805 391 A HN 0.775 nan 8.150 nan 0.000 0.449 392 T N -4.537 109.988 114.554 -0.049 0.000 3.415 392 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 392 T C 1.071 175.711 174.700 -0.100 0.000 1.007 392 T CA 0.477 62.546 62.100 -0.053 0.000 0.958 392 T CB 0.402 69.248 68.868 -0.037 0.000 1.171 392 T HN 0.436 nan 8.240 nan 0.000 0.500 393 A N 1.747 124.484 122.820 -0.138 0.000 1.892 393 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 393 A C 2.078 179.679 177.584 0.027 0.000 1.188 393 A CA 1.615 53.543 52.037 -0.181 0.000 0.631 393 A CB -0.735 18.247 19.000 -0.030 0.000 0.822 393 A HN 0.562 nan 8.150 nan 0.000 0.447 394 I N 0.355 120.916 120.570 -0.016 0.000 2.163 394 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 394 I C 2.210 178.339 176.117 0.020 0.000 1.085 394 I CA 2.185 63.480 61.300 -0.008 0.000 1.347 394 I CB -0.481 37.495 38.000 -0.040 0.000 1.044 394 I HN 0.513 nan 8.210 nan 0.000 0.408 395 E N -0.435 119.775 120.200 0.017 0.000 2.077 395 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 395 E C 2.273 178.911 176.600 0.062 0.000 0.989 395 E CA 1.597 58.014 56.400 0.028 0.000 0.800 395 E CB -0.260 29.451 29.700 0.017 0.000 0.746 395 E HN 0.440 nan 8.360 nan 0.000 0.452 396 S N 0.683 116.443 115.700 0.100 0.000 2.368 396 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 396 S C 2.127 176.837 174.600 0.184 0.000 1.030 396 S CA 0.952 59.260 58.200 0.178 0.000 0.999 396 S CB -0.209 63.190 63.200 0.331 0.000 0.844 396 S HN 0.396 nan 8.310 nan 0.000 0.459 397 A N 1.783 124.715 122.820 0.186 0.000 1.877 397 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 397 A C 2.042 179.640 177.584 0.023 0.000 1.186 397 A CA 1.576 53.667 52.037 0.090 0.000 0.620 397 A CB -0.453 18.578 19.000 0.052 0.000 0.822 397 A HN 0.455 nan 8.150 nan 0.000 0.443 398 K N -0.981 119.432 120.400 0.022 0.000 2.097 398 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 398 K C 2.089 178.714 176.600 0.042 0.000 1.049 398 K CA 1.649 57.940 56.287 0.007 0.000 0.933 398 K CB -0.372 32.131 32.500 0.004 0.000 0.717 398 K HN 0.466 nan 8.250 nan 0.000 0.442 399 T N 1.054 115.649 114.554 0.069 0.000 2.746 399 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 399 T C 1.979 176.757 174.700 0.131 0.000 1.039 399 T CA 1.428 63.582 62.100 0.090 0.000 1.142 399 T CB -0.232 68.690 68.868 0.090 0.000 0.866 399 T HN 0.335 nan 8.240 nan 0.000 0.444 400 A N 1.084 123.997 122.820 0.155 0.000 1.877 400 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 400 A C 2.289 180.078 177.584 0.341 0.000 1.186 400 A CA 1.197 53.384 52.037 0.249 0.000 0.620 400 A CB -0.775 18.406 19.000 0.301 0.000 0.822 400 A HN 0.516 nan 8.150 nan 0.000 0.443 401 I N -0.805 119.877 120.570 0.187 0.000 2.226 401 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 401 I C 2.725 178.930 176.117 0.145 0.000 1.100 401 I CA 1.286 62.655 61.300 0.116 0.000 1.374 401 I CB -0.330 37.598 38.000 -0.120 0.000 1.057 401 I HN 0.302 nan 8.210 nan 0.000 0.413 402 R N 0.175 120.739 120.500 0.107 0.000 2.120 402 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 402 R C 2.278 178.656 176.300 0.131 0.000 1.123 402 R CA 1.280 57.439 56.100 0.098 0.000 0.975 402 R CB -0.279 30.068 30.300 0.078 0.000 0.866 402 R HN 0.399 nan 8.270 nan 0.000 0.446 403 M N -0.128 119.570 119.600 0.163 0.000 2.132 403 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 403 M C 2.516 178.896 176.300 0.134 0.000 1.065 403 M CA 1.647 57.044 55.300 0.162 0.000 1.122 403 M CB -0.265 32.446 32.600 0.184 0.000 1.365 403 M HN 0.200 nan 8.290 nan 0.000 0.411 404 A N 0.640 123.566 122.820 0.177 0.000 1.902 404 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 404 A C 2.058 179.747 177.584 0.175 0.000 1.181 404 A CA 1.375 53.514 52.037 0.169 0.000 0.623 404 A CB -0.869 18.336 19.000 0.342 0.000 0.818 404 A HN 0.451 nan 8.150 nan 0.000 0.443 405 I N -0.375 120.291 120.570 0.159 0.000 2.226 405 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 405 I C 2.417 178.651 176.117 0.195 0.000 1.100 405 I CA 1.198 62.589 61.300 0.152 0.000 1.374 405 I CB -0.330 37.723 38.000 0.089 0.000 1.057 405 I HN 0.292 nan 8.210 nan 0.000 0.413 406 E N 0.955 121.242 120.200 0.146 0.000 2.110 406 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 406 E C 2.333 179.000 176.600 0.112 0.000 0.988 406 E CA 1.416 57.889 56.400 0.121 0.000 0.804 406 E CB -0.269 29.494 29.700 0.106 0.000 0.745 406 E HN 0.493 nan 8.360 nan 0.000 0.458 407 A N 0.598 123.487 122.820 0.115 0.000 1.969 407 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 407 A C 2.028 179.680 177.584 0.113 0.000 1.169 407 A CA 0.987 53.077 52.037 0.088 0.000 0.635 407 A CB -0.674 18.363 19.000 0.063 0.000 0.810 407 A HN 0.270 nan 8.150 nan 0.000 0.445 408 F N 0.813 120.778 119.950 0.026 0.000 2.084 408 F HA -0.118 4.409 4.527 -0.000 0.000 0.296 408 F C 2.131 177.941 175.800 0.017 0.000 1.111 408 F CA 2.096 60.110 58.000 0.024 0.000 1.224 408 F CB -0.275 38.742 39.000 0.030 0.000 0.991 408 F HN 0.106 nan 8.300 nan 0.000 0.471 409 K N 0.272 120.701 120.400 0.049 0.000 2.020 409 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 409 K C 1.967 178.487 176.600 -0.134 0.000 1.050 409 K CA 2.215 58.464 56.287 -0.064 0.000 0.929 409 K CB -0.435 32.098 32.500 0.055 0.000 0.714 409 K HN 0.415 nan 8.250 nan 0.000 0.443 410 E N 0.232 120.386 120.200 -0.076 0.000 2.160 410 E HA -0.224 4.126 4.350 -0.000 0.000 0.195 410 E C 2.131 178.653 176.600 -0.131 0.000 0.991 410 E CA 0.897 57.239 56.400 -0.097 0.000 0.810 410 E CB -0.045 29.608 29.700 -0.078 0.000 0.742 410 E HN 0.218 nan 8.360 nan 0.000 0.466 411 R N 1.002 121.411 120.500 -0.151 0.000 2.075 411 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 411 R C 2.019 178.195 176.300 -0.208 0.000 1.126 411 R CA 1.188 57.198 56.100 -0.151 0.000 0.963 411 R CB 0.215 30.425 30.300 -0.151 0.000 0.858 411 R HN -0.096 nan 8.270 nan 0.000 0.435 412 K N 1.021 121.216 120.400 -0.342 0.000 2.007 412 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 412 K C 1.889 178.391 176.600 -0.164 0.000 1.047 412 K CA 1.955 58.065 56.287 -0.295 0.000 0.937 412 K CB -0.426 31.822 32.500 -0.419 0.000 0.718 412 K HN 0.542 nan 8.250 nan 0.000 0.438 413 E N 1.458 121.572 120.200 -0.142 0.000 2.333 413 E HA -0.111 4.239 4.350 -0.000 0.000 0.200 413 E C 0.584 177.138 176.600 -0.077 0.000 1.010 413 E CA 0.751 57.097 56.400 -0.090 0.000 0.841 413 E CB -0.136 29.520 29.700 -0.074 0.000 0.757 413 E HN 0.177 nan 8.360 nan 0.000 0.508 414 S N 0.200 115.848 115.700 -0.087 0.000 2.739 414 S HA 0.162 4.632 4.470 -0.000 0.000 0.306 414 S C -0.254 174.316 174.600 -0.050 0.000 1.115 414 S CA -0.960 57.200 58.200 -0.067 0.000 0.985 414 S CB 1.145 64.297 63.200 -0.080 0.000 1.133 414 S HN 0.264 nan 8.310 nan 0.000 0.541 415 N N 0.971 119.653 118.700 -0.030 0.000 2.466 415 N HA 0.099 4.839 4.740 -0.000 0.000 0.263 415 N C -0.020 175.490 175.510 0.000 0.000 1.178 415 N CA -0.599 52.442 53.050 -0.015 0.000 0.983 415 N CB 0.095 38.577 38.487 -0.007 0.000 1.331 415 N HN 0.569 nan 8.380 nan 0.000 0.500 416 R N 3.412 123.909 120.500 -0.005 0.000 2.248 416 R HA 0.281 4.621 4.340 -0.000 0.000 0.337 416 R C -2.316 174.009 176.300 0.041 0.000 1.106 416 R CA -1.455 54.658 56.100 0.020 0.000 0.959 416 R CB 0.335 30.631 30.300 -0.006 0.000 1.075 416 R HN 0.307 nan 8.270 nan 0.000 0.480 417 P HA 0.063 nan 4.420 nan 0.000 0.252 417 P C -0.494 176.871 177.300 0.108 0.000 1.727 417 P CA -0.251 62.894 63.100 0.076 0.000 1.134 417 P CB 0.737 32.479 31.700 0.070 0.000 1.876 418 V N 4.586 124.554 119.914 0.090 0.000 2.546 418 V HA 0.174 4.294 4.120 -0.000 0.000 0.284 418 V C -0.269 175.907 176.094 0.137 0.000 1.050 418 V CA -0.173 62.180 62.300 0.089 0.000 0.981 418 V CB 0.732 32.580 31.823 0.042 0.000 0.990 418 V HN 0.388 nan 8.190 nan 0.000 0.474 419 Y N 5.771 126.067 120.300 -0.007 0.000 2.331 419 Y HA 0.636 5.186 4.550 -0.000 0.000 0.326 419 Y C -0.659 175.223 175.900 -0.030 0.000 1.020 419 Y CA -1.057 57.035 58.100 -0.014 0.000 1.136 419 Y CB 1.403 39.856 38.460 -0.012 0.000 1.157 419 Y HN 0.530 nan 8.280 nan 0.000 0.444 420 I N 9.084 129.232 120.570 -0.704 0.000 2.411 420 I HA 0.360 4.530 4.170 -0.000 0.000 0.284 420 I C -2.439 173.283 176.117 -0.658 0.000 1.012 420 I CA -2.232 58.752 61.300 -0.526 0.000 1.119 420 I CB 1.774 39.620 38.000 -0.257 0.000 1.261 420 I HN 0.491 nan 8.210 nan 0.000 0.448 421 P HA -0.040 nan 4.420 nan 0.000 0.260 421 P C -0.485 176.698 177.300 -0.195 0.000 1.185 421 P CA -0.112 62.803 63.100 -0.309 0.000 0.763 421 P CB 0.329 31.956 31.700 -0.121 0.000 0.776 422 Q N 3.306 123.019 119.800 -0.144 0.000 3.179 422 Q HA 0.218 4.558 4.340 -0.000 0.000 0.328 422 Q C -0.004 175.966 176.000 -0.050 0.000 1.336 422 Q CA 0.317 56.068 55.803 -0.088 0.000 0.939 422 Q CB -0.488 28.212 28.738 -0.063 0.000 1.658 422 Q HN 0.531 nan 8.270 nan 0.000 0.486 423 I N 1.559 122.099 120.570 -0.050 0.000 2.436 423 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 423 I C -0.208 175.893 176.117 -0.025 0.000 1.010 423 I CA -0.690 60.594 61.300 -0.027 0.000 1.098 423 I CB 1.587 39.576 38.000 -0.018 0.000 1.266 423 I HN 0.078 nan 8.210 nan 0.000 0.434 424 K N 4.365 124.756 120.400 -0.014 0.000 2.610 424 K HA 0.506 4.826 4.320 -0.000 0.000 0.278 424 K C -2.003 174.597 176.600 -0.000 0.000 0.964 424 K CA -0.965 55.316 56.287 -0.010 0.000 0.859 424 K CB 1.954 34.444 32.500 -0.017 0.000 1.434 424 K HN 0.345 nan 8.250 nan 0.000 0.410 425 N N 1.151 119.854 118.700 0.005 0.000 2.265 425 N HA 0.318 5.058 4.740 -0.000 0.000 0.300 425 N C -1.242 174.275 175.510 0.012 0.000 1.148 425 N CA -0.834 52.224 53.050 0.013 0.000 0.772 425 N CB 2.431 40.931 38.487 0.022 0.000 1.434 425 N HN 0.606 nan 8.380 nan 0.000 0.481 426 R N 0.628 121.136 120.500 0.014 0.000 2.543 426 R HA 0.391 4.731 4.340 -0.000 0.000 0.277 426 R C -1.013 175.299 176.300 0.019 0.000 1.074 426 R CA -0.087 56.021 56.100 0.012 0.000 1.076 426 R CB 0.427 30.734 30.300 0.011 0.000 0.993 426 R HN 0.243 nan 8.270 nan 0.000 0.459 427 V N 4.729 124.654 119.914 0.018 0.000 2.789 427 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 427 V C -0.950 175.159 176.094 0.024 0.000 1.073 427 V CA -0.815 61.503 62.300 0.031 0.000 0.921 427 V CB 2.285 34.133 31.823 0.042 0.000 1.009 427 V HN 0.563 nan 8.190 nan 0.000 0.426 428 V N 3.720 123.662 119.914 0.046 0.000 2.444 428 V HA 0.932 5.052 4.120 -0.000 0.000 0.294 428 V C 0.239 176.381 176.094 0.080 0.000 1.022 428 V CA 0.148 62.473 62.300 0.041 0.000 0.850 428 V CB 1.287 33.165 31.823 0.091 0.000 0.992 428 V HN 1.122 nan 8.190 nan 0.000 0.426 429 A N 3.228 126.010 122.820 -0.064 0.000 2.681 429 A HA 0.931 5.251 4.320 -0.000 0.000 0.278 429 A C 0.835 178.179 177.584 -0.399 0.000 1.272 429 A CA -0.178 51.797 52.037 -0.102 0.000 0.750 429 A CB 0.881 19.788 19.000 -0.155 0.000 1.351 429 A HN 2.038 nan 8.150 nan 0.000 0.514 430 G N -2.446 106.166 108.800 -0.313 0.000 2.149 430 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 430 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 430 G C -0.238 174.488 174.900 -0.290 0.000 1.018 430 G CA 0.381 45.299 45.100 -0.302 0.000 0.728 430 G HN 0.837 nan 8.290 nan 0.000 0.508 431 W N 2.692 124.061 121.300 0.114 0.000 1.864 431 W HA 0.533 5.193 4.660 -0.000 0.000 0.425 431 W C 1.303 177.930 176.519 0.181 0.000 0.791 431 W CA -0.223 57.243 57.345 0.201 0.000 1.650 431 W CB 0.070 29.739 29.460 0.347 0.000 1.791 431 W HN 0.464 nan 8.180 nan 0.000 0.266 432 S N 0.599 116.469 115.700 0.283 0.000 2.608 432 S HA 0.057 4.527 4.470 -0.000 0.000 0.261 432 S C 0.924 175.683 174.600 0.267 0.000 1.314 432 S CA -0.750 57.585 58.200 0.225 0.000 0.992 432 S CB 1.123 64.410 63.200 0.144 0.000 0.935 432 S HN 0.418 nan 8.310 nan 0.000 0.564 433 L N 0.712 122.062 121.223 0.212 0.000 2.131 433 L HA 0.019 4.358 4.340 -0.000 0.000 0.210 433 L C 2.180 179.157 176.870 0.179 0.000 1.092 433 L CA 1.855 56.813 54.840 0.198 0.000 0.759 433 L CB -1.381 40.775 42.059 0.161 0.000 0.903 433 L HN 0.815 nan 8.230 nan 0.000 0.435 434 E N -0.042 120.252 120.200 0.156 0.000 2.077 434 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 434 E C 2.255 178.951 176.600 0.159 0.000 0.989 434 E CA 1.506 57.985 56.400 0.133 0.000 0.800 434 E CB -0.517 29.247 29.700 0.106 0.000 0.746 434 E HN 0.617 nan 8.360 nan 0.000 0.452 435 A N 0.502 123.444 122.820 0.202 0.000 1.898 435 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 435 A C 2.192 180.021 177.584 0.408 0.000 1.181 435 A CA 1.009 53.201 52.037 0.259 0.000 0.620 435 A CB -0.627 18.501 19.000 0.213 0.000 0.819 435 A HN 0.183 nan 8.150 nan 0.000 0.442 436 L N -0.679 120.803 121.223 0.431 0.000 2.046 436 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 436 L C 2.806 179.780 176.870 0.174 0.000 1.077 436 L CA 1.802 56.832 54.840 0.316 0.000 0.747 436 L CB -0.859 41.327 42.059 0.212 0.000 0.896 436 L HN 0.356 nan 8.230 nan 0.000 0.432 437 T N -0.779 113.865 114.554 0.151 0.000 2.746 437 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 437 T C 1.901 176.659 174.700 0.096 0.000 1.039 437 T CA 1.536 63.694 62.100 0.098 0.000 1.142 437 T CB -0.122 68.800 68.868 0.090 0.000 0.866 437 T HN 0.075 nan 8.240 nan 0.000 0.444 438 K N 1.142 121.617 120.400 0.125 0.000 2.057 438 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 438 K C 2.026 178.697 176.600 0.118 0.000 1.049 438 K CA 0.958 57.311 56.287 0.111 0.000 0.931 438 K CB -0.821 31.750 32.500 0.119 0.000 0.714 438 K HN 0.226 nan 8.250 nan 0.000 0.440 439 L N 0.554 121.879 121.223 0.171 0.000 2.017 439 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 439 L C 1.928 178.833 176.870 0.059 0.000 1.073 439 L CA 1.692 56.627 54.840 0.157 0.000 0.745 439 L CB -0.512 41.692 42.059 0.241 0.000 0.894 439 L HN 0.262 nan 8.230 nan 0.000 0.432 440 L N -0.545 120.697 121.223 0.032 0.000 2.141 440 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 440 L C 2.586 179.459 176.870 0.006 0.000 1.094 440 L CA 0.931 55.766 54.840 -0.010 0.000 0.763 440 L CB -0.900 41.150 42.059 -0.016 0.000 0.908 440 L HN 0.381 nan 8.230 nan 0.000 0.437 441 A N 0.174 123.010 122.820 0.027 0.000 2.070 441 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 441 A C 2.382 179.978 177.584 0.021 0.000 1.159 441 A CA 1.910 53.963 52.037 0.026 0.000 0.656 441 A CB -0.839 18.183 19.000 0.037 0.000 0.800 441 A HN 0.536 nan 8.150 nan 0.000 0.453 442 T N -3.354 111.212 114.554 0.021 0.000 3.007 442 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 442 T C 1.634 176.335 174.700 0.001 0.000 1.107 442 T CA 1.325 63.434 62.100 0.015 0.000 1.118 442 T CB -0.115 68.765 68.868 0.020 0.000 0.889 442 T HN 0.447 nan 8.240 nan 0.000 0.506 443 Q N 0.775 120.570 119.800 -0.008 0.000 2.324 443 Q HA 0.263 4.603 4.340 -0.000 0.000 0.207 443 Q C 0.487 176.487 176.000 0.000 0.000 0.928 443 Q CA 0.569 56.364 55.803 -0.013 0.000 0.890 443 Q CB 0.207 28.926 28.738 -0.031 0.000 1.001 443 Q HN 0.521 nan 8.270 nan 0.000 0.517 444 N N -0.190 118.512 118.700 0.005 0.000 2.653 444 N HA 0.272 5.012 4.740 -0.000 0.000 0.261 444 N C -0.389 175.128 175.510 0.011 0.000 1.216 444 N CA 0.191 53.246 53.050 0.009 0.000 0.784 444 N CB 1.185 39.678 38.487 0.010 0.000 1.327 444 N HN -0.024 nan 8.380 nan 0.000 0.539 445 A N 2.178 125.006 122.820 0.012 0.000 2.015 445 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 445 A C 1.749 179.341 177.584 0.014 0.000 1.163 445 A CA 1.322 53.368 52.037 0.015 0.000 0.646 445 A CB 0.008 19.017 19.000 0.015 0.000 0.806 445 A HN 0.602 nan 8.150 nan 0.000 0.448 446 Q N -0.503 119.304 119.800 0.011 0.000 2.083 446 Q HA 0.009 4.349 4.340 -0.000 0.000 0.198 446 Q C 0.655 176.660 176.000 0.009 0.000 0.969 446 Q CA 1.288 57.096 55.803 0.009 0.000 0.838 446 Q CB 0.107 28.849 28.738 0.007 0.000 0.900 446 Q HN 0.595 nan 8.270 nan 0.000 0.436 447 N N -0.947 117.759 118.700 0.009 0.000 2.725 447 N HA 0.183 4.923 4.740 -0.000 0.000 0.248 447 N C -2.499 173.017 175.510 0.009 0.000 1.402 447 N CA -1.614 51.441 53.050 0.008 0.000 0.766 447 N CB 1.050 39.540 38.487 0.005 0.000 1.223 447 N HN -0.158 nan 8.380 nan 0.000 0.515 448 P HA -0.149 nan 4.420 nan 0.000 0.215 448 P C 1.586 178.888 177.300 0.004 0.000 1.163 448 P CA 0.789 63.896 63.100 0.012 0.000 0.894 448 P CB 0.419 32.132 31.700 0.022 0.000 0.791 449 I N -0.823 119.748 120.570 0.002 0.000 2.423 449 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 449 I C 2.215 178.322 176.117 -0.015 0.000 1.151 449 I CA 1.379 62.673 61.300 -0.011 0.000 1.421 449 I CB -0.496 37.502 38.000 -0.003 0.000 1.079 449 I HN -0.262 nan 8.210 nan 0.000 0.431 450 R N 0.104 120.602 120.500 -0.005 0.000 2.127 450 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 450 R C 2.057 178.359 176.300 0.004 0.000 1.134 450 R CA 1.798 57.896 56.100 -0.003 0.000 0.975 450 R CB -1.036 29.265 30.300 0.003 0.000 0.865 450 R HN 0.302 nan 8.270 nan 0.000 0.447 451 V N 0.665 120.590 119.914 0.018 0.000 2.332 451 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 451 V C 2.181 178.326 176.094 0.085 0.000 1.055 451 V CA 1.847 64.185 62.300 0.063 0.000 1.038 451 V CB -0.614 31.244 31.823 0.059 0.000 0.651 451 V HN 0.320 nan 8.190 nan 0.000 0.450 452 L N 0.410 121.630 121.223 -0.005 0.000 2.044 452 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 452 L C 2.207 178.979 176.870 -0.164 0.000 1.075 452 L CA 1.832 56.580 54.840 -0.153 0.000 0.747 452 L CB -0.975 40.939 42.059 -0.242 0.000 0.903 452 L HN 0.264 nan 8.230 nan 0.000 0.435 453 N N -0.382 118.265 118.700 -0.087 0.000 2.069 453 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 453 N C 1.872 177.347 175.510 -0.058 0.000 1.031 453 N CA 1.384 54.395 53.050 -0.064 0.000 0.852 453 N CB -0.323 38.145 38.487 -0.032 0.000 1.018 453 N HN 0.386 nan 8.380 nan 0.000 0.423 454 Q N 0.819 120.598 119.800 -0.035 0.000 2.124 454 Q HA 0.065 4.405 4.340 -0.000 0.000 0.202 454 Q C 1.795 177.775 176.000 -0.033 0.000 0.977 454 Q CA 1.670 57.462 55.803 -0.019 0.000 0.850 454 Q CB -0.530 28.213 28.738 0.007 0.000 0.901 454 Q HN 0.377 nan 8.270 nan 0.000 0.429 455 A N -0.278 122.502 122.820 -0.066 0.000 1.972 455 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 455 A C 2.043 179.538 177.584 -0.149 0.000 1.169 455 A CA 1.337 53.302 52.037 -0.120 0.000 0.635 455 A CB -0.573 18.230 19.000 -0.329 0.000 0.810 455 A HN 0.464 nan 8.150 nan 0.000 0.446 456 I N -0.691 119.789 120.570 -0.149 0.000 2.277 456 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 456 I C 2.259 178.343 176.117 -0.054 0.000 1.094 456 I CA 0.791 62.026 61.300 -0.108 0.000 1.393 456 I CB -0.286 37.657 38.000 -0.095 0.000 1.078 456 I HN 0.255 nan 8.210 nan 0.000 0.417 457 L N 0.406 121.604 121.223 -0.041 0.000 2.083 457 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 457 L C 1.881 178.743 176.870 -0.013 0.000 1.083 457 L CA 1.178 56.005 54.840 -0.020 0.000 0.752 457 L CB -0.633 41.416 42.059 -0.016 0.000 0.899 457 L HN 0.261 nan 8.230 nan 0.000 0.433 458 D N -0.211 120.180 120.400 -0.015 0.000 2.312 458 D HA -0.028 4.612 4.640 -0.000 0.000 0.211 458 D C 1.719 178.017 176.300 -0.002 0.000 0.964 458 D CA 1.246 55.244 54.000 -0.004 0.000 0.877 458 D CB 0.240 41.042 40.800 0.004 0.000 0.924 458 D HN 0.431 nan 8.370 nan 0.000 0.515 459 G N 0.997 109.789 108.800 -0.014 0.000 2.176 459 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.232 459 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.232 459 G C 0.891 175.782 174.900 -0.014 0.000 0.986 459 G CA 0.465 45.561 45.100 -0.008 0.000 0.643 459 G HN 0.403 nan 8.290 nan 0.000 0.522 460 E N -0.549 119.635 120.200 -0.025 0.000 2.106 460 E HA 0.142 4.492 4.350 -0.000 0.000 0.192 460 E C 0.968 177.533 176.600 -0.060 0.000 0.984 460 E CA 0.581 56.968 56.400 -0.021 0.000 0.806 460 E CB -0.008 29.690 29.700 -0.004 0.000 0.750 460 E HN 0.586 nan 8.360 nan 0.000 0.458 461 L N -0.783 120.369 121.223 -0.119 0.000 2.354 461 L HA 0.419 4.759 4.340 -0.000 0.000 0.269 461 L C 0.601 177.422 176.870 -0.081 0.000 1.005 461 L CA -0.405 54.353 54.840 -0.137 0.000 0.819 461 L CB 1.846 43.737 42.059 -0.281 0.000 1.311 461 L HN -0.080 nan 8.230 nan 0.000 0.423 462 A N 1.498 124.285 122.820 -0.054 0.000 2.072 462 A HA 0.559 4.879 4.320 -0.000 0.000 0.216 462 A C 0.876 178.442 177.584 -0.030 0.000 1.156 462 A CA 0.994 53.014 52.037 -0.029 0.000 0.701 462 A CB -0.128 18.860 19.000 -0.020 0.000 0.816 462 A HN 0.983 nan 8.150 nan 0.000 0.458 463 G N -2.582 106.185 108.800 -0.055 0.000 2.339 463 G HA2 0.353 4.313 3.960 -0.000 0.000 0.275 463 G HA3 0.353 4.313 3.960 -0.000 0.000 0.275 463 G C -1.420 173.440 174.900 -0.067 0.000 1.323 463 G CA -0.111 44.958 45.100 -0.052 0.000 0.927 463 G HN 0.595 nan 8.290 nan 0.000 0.486 464 V N 0.317 120.170 119.914 -0.102 0.000 2.680 464 V HA 0.865 4.985 4.120 -0.000 0.000 0.309 464 V C 0.348 176.180 176.094 -0.437 0.000 1.052 464 V CA 0.053 62.246 62.300 -0.177 0.000 0.908 464 V CB 1.382 33.126 31.823 -0.131 0.000 1.001 464 V HN 2.004 nan 8.190 nan 0.000 0.431 465 A N 4.129 126.701 122.820 -0.412 0.000 2.398 465 A HA 0.849 5.169 4.320 -0.000 0.000 0.301 465 A C -1.378 175.939 177.584 -0.446 0.000 1.041 465 A CA -0.506 51.241 52.037 -0.484 0.000 0.711 465 A CB 1.506 20.333 19.000 -0.288 0.000 1.240 465 A HN 0.926 nan 8.150 nan 0.000 0.420 466 L N 4.083 124.986 121.223 -0.534 0.000 2.296 466 L HA 0.673 5.013 4.340 -0.000 0.000 0.286 466 L C -1.149 175.605 176.870 -0.194 0.000 1.023 466 L CA -0.333 54.333 54.840 -0.291 0.000 0.812 466 L CB 0.893 42.815 42.059 -0.228 0.000 1.223 466 L HN 0.519 nan 8.230 nan 0.000 0.421 467 I N 5.685 126.202 120.570 -0.088 0.000 2.354 467 I HA 0.366 4.536 4.170 -0.000 0.000 0.286 467 I C 0.083 176.212 176.117 0.020 0.000 1.007 467 I CA -0.416 60.866 61.300 -0.030 0.000 1.167 467 I CB 0.414 38.401 38.000 -0.021 0.000 1.320 467 I HN 0.791 nan 8.210 nan 0.000 0.458 468 C N 2.916 122.256 119.300 0.066 0.000 2.973 468 C HA 1.083 5.543 4.460 -0.000 0.000 0.329 468 C C 0.343 175.418 174.990 0.142 0.000 1.327 468 C CA -0.492 58.591 59.018 0.107 0.000 1.632 468 C CB 1.399 29.245 27.740 0.178 0.000 2.098 468 C HN 1.174 nan 8.230 nan 0.000 0.469 469 G N -1.027 107.860 108.800 0.145 0.000 2.326 469 G HA2 0.416 4.376 3.960 -0.000 0.000 0.413 469 G HA3 0.416 4.376 3.960 -0.000 0.000 0.413 469 G C -0.805 174.208 174.900 0.189 0.000 1.444 469 G CA -0.107 45.107 45.100 0.191 0.000 1.002 469 G HN 1.174 nan 8.290 nan 0.000 0.649 470 C N -0.585 118.811 119.300 0.160 0.000 2.372 470 C HA 0.757 5.217 4.460 -0.000 0.000 0.352 470 C C 0.693 175.823 174.990 0.233 0.000 2.624 470 C CA -0.566 58.516 59.018 0.106 0.000 1.817 470 C CB 0.881 28.602 27.740 -0.031 0.000 2.051 470 C HN 0.726 nan 8.230 nan 0.000 0.412 471 N N 2.067 120.884 118.700 0.196 0.000 2.765 471 N HA 0.163 4.903 4.740 -0.000 0.000 0.277 471 N C -1.057 174.553 175.510 0.166 0.000 1.750 471 N CA -0.031 53.165 53.050 0.243 0.000 0.827 471 N CB -0.166 38.540 38.487 0.364 0.000 1.200 471 N HN 0.486 nan 8.380 nan 0.000 0.494 472 N N 1.721 120.468 118.700 0.078 0.000 2.399 472 N HA 0.092 4.832 4.740 -0.000 0.000 0.259 472 N C 1.115 176.606 175.510 -0.031 0.000 1.160 472 N CA -0.089 52.993 53.050 0.053 0.000 0.946 472 N CB 0.700 39.218 38.487 0.052 0.000 1.156 472 N HN 0.412 nan 8.380 nan 0.000 0.489 473 L N 3.167 124.311 121.223 -0.131 0.000 2.642 473 L HA -0.115 4.225 4.340 -0.000 0.000 0.236 473 L C 1.861 178.276 176.870 -0.759 0.000 1.169 473 L CA 0.663 55.225 54.840 -0.464 0.000 0.851 473 L CB -0.158 41.492 42.059 -0.681 0.000 0.968 473 L HN 0.460 nan 8.230 nan 0.000 0.453 474 K N 0.194 120.452 120.400 -0.237 0.000 2.280 474 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 474 K C 1.071 177.660 176.600 -0.018 0.000 1.047 474 K CA 0.715 57.012 56.287 0.016 0.000 0.942 474 K CB 0.002 32.633 32.500 0.219 0.000 0.739 474 K HN 0.362 nan 8.250 nan 0.000 0.457 475 G N -0.196 108.586 108.800 -0.030 0.000 2.481 475 G HA2 0.434 4.394 3.960 -0.000 0.000 0.315 475 G HA3 0.434 4.394 3.960 -0.000 0.000 0.315 475 G C -0.989 174.002 174.900 0.152 0.000 1.231 475 G CA -0.783 44.363 45.100 0.076 0.000 0.968 475 G HN -0.112 nan 8.290 nan 0.000 0.482 476 F N 0.778 120.683 119.950 -0.074 0.000 2.608 476 F HA 0.126 4.653 4.527 -0.000 0.000 0.380 476 F C 1.353 177.152 175.800 -0.002 0.000 1.083 476 F CA -0.408 57.573 58.000 -0.031 0.000 1.266 476 F CB 0.827 39.826 39.000 -0.003 0.000 1.076 476 F HN 0.457 nan 8.300 nan 0.000 0.574 477 Q N 3.923 123.811 119.800 0.147 0.000 2.320 477 Q HA -0.089 4.251 4.340 -0.000 0.000 0.311 477 Q C 0.143 176.244 176.000 0.168 0.000 1.083 477 Q CA 0.578 56.468 55.803 0.146 0.000 1.001 477 Q CB 0.134 28.987 28.738 0.192 0.000 1.074 477 Q HN 0.769 nan 8.270 nan 0.000 0.379 478 D N 2.094 122.602 120.400 0.180 0.000 2.837 478 D HA -0.264 4.375 4.640 -0.000 0.000 0.195 478 D C 0.626 177.003 176.300 0.128 0.000 1.033 478 D CA 1.448 55.575 54.000 0.212 0.000 1.021 478 D CB -1.091 39.812 40.800 0.172 0.000 1.101 478 D HN 0.785 nan 8.370 nan 0.000 0.431 479 N N 0.357 119.119 118.700 0.102 0.000 2.120 479 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 479 N C 1.532 177.046 175.510 0.006 0.000 1.024 479 N CA 2.254 55.341 53.050 0.062 0.000 0.852 479 N CB -0.090 38.441 38.487 0.073 0.000 1.003 479 N HN 0.160 nan 8.380 nan 0.000 0.424 480 S N -0.645 115.029 115.700 -0.043 0.000 2.387 480 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 480 S C 1.579 176.134 174.600 -0.075 0.000 1.026 480 S CA 0.563 58.712 58.200 -0.084 0.000 0.972 480 S CB -0.467 62.658 63.200 -0.124 0.000 0.814 480 S HN 0.473 nan 8.310 nan 0.000 0.477 481 H N 1.086 120.164 119.070 0.014 0.000 2.321 481 H HA 0.027 4.582 4.556 -0.000 0.000 0.300 481 H C 2.182 177.481 175.328 -0.050 0.000 1.087 481 H CA 0.969 57.010 56.048 -0.012 0.000 1.319 481 H CB -0.568 29.190 29.762 -0.007 0.000 1.379 481 H HN 0.227 nan 8.280 nan 0.000 0.501 482 L N 0.457 121.728 121.223 0.081 0.000 2.027 482 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 482 L C 2.424 179.259 176.870 -0.058 0.000 1.074 482 L CA 1.590 56.418 54.840 -0.020 0.000 0.745 482 L CB -1.167 40.885 42.059 -0.011 0.000 0.898 482 L HN 0.277 nan 8.230 nan 0.000 0.433 483 T N -0.354 114.178 114.554 -0.037 0.000 2.708 483 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 483 T C 2.119 176.778 174.700 -0.068 0.000 1.037 483 T CA 1.256 63.326 62.100 -0.051 0.000 1.146 483 T CB -0.270 68.570 68.868 -0.046 0.000 0.865 483 T HN 0.071 nan 8.240 nan 0.000 0.435 484 V N 1.507 121.382 119.914 -0.065 0.000 2.295 484 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 484 V C 2.497 178.537 176.094 -0.090 0.000 1.049 484 V CA 1.756 64.004 62.300 -0.086 0.000 1.024 484 V CB -0.599 31.182 31.823 -0.071 0.000 0.648 484 V HN 0.482 nan 8.190 nan 0.000 0.447 485 M N -0.692 118.859 119.600 -0.083 0.000 2.086 485 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 485 M C 2.299 178.515 176.300 -0.140 0.000 1.067 485 M CA 1.931 57.163 55.300 -0.114 0.000 1.116 485 M CB -0.545 31.978 32.600 -0.128 0.000 1.348 485 M HN 0.199 nan 8.290 nan 0.000 0.407 486 K N -0.092 120.209 120.400 -0.165 0.000 2.063 486 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 486 K C 1.975 178.541 176.600 -0.058 0.000 1.048 486 K CA 1.522 57.719 56.287 -0.150 0.000 0.928 486 K CB -0.205 32.216 32.500 -0.133 0.000 0.713 486 K HN 0.137 nan 8.250 nan 0.000 0.442 487 E N 1.186 121.349 120.200 -0.062 0.000 2.106 487 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 487 E C 1.761 178.328 176.600 -0.054 0.000 0.984 487 E CA 0.951 57.321 56.400 -0.050 0.000 0.806 487 E CB -0.059 29.601 29.700 -0.067 0.000 0.750 487 E HN 0.203 nan 8.360 nan 0.000 0.458 488 L N -0.271 120.908 121.223 -0.073 0.000 2.072 488 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 488 L C 2.446 179.285 176.870 -0.051 0.000 1.079 488 L CA 0.749 55.545 54.840 -0.074 0.000 0.752 488 L CB -0.435 41.565 42.059 -0.100 0.000 0.906 488 L HN 0.196 nan 8.230 nan 0.000 0.436 489 L N 0.172 121.367 121.223 -0.047 0.000 2.012 489 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 489 L C 2.713 179.596 176.870 0.021 0.000 1.073 489 L CA 1.510 56.343 54.840 -0.012 0.000 0.748 489 L CB -0.569 41.488 42.059 -0.002 0.000 0.891 489 L HN 0.283 nan 8.230 nan 0.000 0.431 490 K N 0.222 120.636 120.400 0.025 0.000 2.152 490 K HA -0.171 4.148 4.320 -0.000 0.000 0.206 490 K C 1.182 177.791 176.600 0.016 0.000 1.048 490 K CA 1.364 57.671 56.287 0.034 0.000 0.933 490 K CB 0.007 32.526 32.500 0.031 0.000 0.721 490 K HN 0.352 nan 8.250 nan 0.000 0.447 491 N N 1.572 120.271 118.700 -0.002 0.000 2.295 491 N HA 0.021 4.761 4.740 -0.000 0.000 0.221 491 N C -0.833 174.674 175.510 -0.006 0.000 1.129 491 N CA 0.102 53.148 53.050 -0.007 0.000 0.836 491 N CB 0.395 38.870 38.487 -0.021 0.000 1.040 491 N HN 0.228 nan 8.380 nan 0.000 0.494 492 N N -0.035 118.668 118.700 0.004 0.000 2.754 492 N HA -0.140 4.600 4.740 -0.000 0.000 0.248 492 N C -0.758 174.745 175.510 -0.011 0.000 1.093 492 N CA 0.377 53.431 53.050 0.007 0.000 0.699 492 N CB -1.519 36.971 38.487 0.005 0.000 1.016 492 N HN 0.014 nan 8.380 nan 0.000 0.552 493 V N 1.326 121.227 119.914 -0.021 0.000 2.439 493 V HA 0.309 4.429 4.120 -0.000 0.000 0.282 493 V C 0.531 176.617 176.094 -0.013 0.000 1.039 493 V CA -0.717 61.562 62.300 -0.036 0.000 0.913 493 V CB 1.082 32.861 31.823 -0.072 0.000 0.983 493 V HN 0.228 nan 8.190 nan 0.000 0.460 494 F N 6.111 125.972 119.950 -0.148 0.000 2.466 494 F HA 0.419 4.946 4.527 -0.000 0.000 0.363 494 F C 0.068 175.791 175.800 -0.130 0.000 1.109 494 F CA -0.016 57.903 58.000 -0.135 0.000 1.161 494 F CB 0.677 39.546 39.000 -0.218 0.000 1.117 494 F HN 0.248 nan 8.300 nan 0.000 0.539 495 V N 7.703 127.331 119.914 -0.477 0.000 2.394 495 V HA 0.453 4.573 4.120 -0.000 0.000 0.282 495 V C -0.351 175.557 176.094 -0.310 0.000 1.031 495 V CA -0.660 61.447 62.300 -0.321 0.000 0.881 495 V CB 1.239 32.941 31.823 -0.203 0.000 0.982 495 V HN 0.654 nan 8.190 nan 0.000 0.451 496 V N 2.210 122.028 119.914 -0.160 0.000 2.715 496 V HA 1.076 5.196 4.120 -0.000 0.000 0.310 496 V C -0.110 175.987 176.094 0.006 0.000 1.054 496 V CA -0.642 61.654 62.300 -0.008 0.000 0.928 496 V CB 1.572 33.458 31.823 0.104 0.000 1.007 496 V HN 1.120 nan 8.190 nan 0.000 0.437 497 A N 2.675 125.530 122.820 0.058 0.000 2.556 497 A HA 1.038 5.358 4.320 -0.000 0.000 0.294 497 A C -0.215 177.390 177.584 0.035 0.000 1.091 497 A CA -0.058 51.981 52.037 0.003 0.000 0.704 497 A CB 2.055 20.997 19.000 -0.097 0.000 1.300 497 A HN 1.894 nan 8.150 nan 0.000 0.406 498 T N -2.214 112.351 114.554 0.018 0.000 2.812 498 T HA 0.815 5.165 4.350 -0.000 0.000 0.294 498 T C 0.793 175.502 174.700 0.016 0.000 1.159 498 T CA 0.361 62.507 62.100 0.078 0.000 1.008 498 T CB 0.811 69.799 68.868 0.201 0.000 1.289 498 T HN 2.664 nan 8.240 nan 0.000 0.514 499 G N -0.203 108.650 108.800 0.089 0.000 2.581 499 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.291 499 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.291 499 G C 1.191 176.083 174.900 -0.013 0.000 1.277 499 G CA 0.287 45.431 45.100 0.075 0.000 0.959 499 G HN 1.423 nan 8.290 nan 0.000 0.554 500 C N 0.174 119.474 119.300 0.000 0.000 2.437 500 C HA 0.171 4.631 4.460 -0.000 0.000 0.283 500 C C 3.244 178.069 174.990 -0.276 0.000 1.424 500 C CA 1.705 60.698 59.018 -0.043 0.000 1.782 500 C CB -1.273 26.511 27.740 0.074 0.000 1.833 500 C HN 0.858 nan 8.230 nan 0.000 0.532 501 S N 0.757 116.229 115.700 -0.380 0.000 2.371 501 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 501 S C 2.078 176.432 174.600 -0.410 0.000 1.029 501 S CA 1.406 59.190 58.200 -0.694 0.000 0.978 501 S CB -0.208 62.798 63.200 -0.323 0.000 0.833 501 S HN 0.616 nan 8.310 nan 0.000 0.466 502 A N 0.994 123.616 122.820 -0.329 0.000 1.969 502 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 502 A C 2.132 179.521 177.584 -0.325 0.000 1.169 502 A CA 1.252 53.023 52.037 -0.444 0.000 0.635 502 A CB -0.584 17.843 19.000 -0.955 0.000 0.810 502 A HN 0.687 nan 8.150 nan 0.000 0.445 503 Q N -0.557 119.117 119.800 -0.211 0.000 2.167 503 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 503 Q C 2.407 178.359 176.000 -0.080 0.000 0.970 503 Q CA 1.199 56.952 55.803 -0.083 0.000 0.855 503 Q CB -0.361 28.363 28.738 -0.023 0.000 0.911 503 Q HN 0.682 nan 8.270 nan 0.000 0.438 504 A N 1.454 124.192 122.820 -0.137 0.000 1.902 504 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 504 A C 2.357 179.899 177.584 -0.071 0.000 1.181 504 A CA 1.609 53.596 52.037 -0.084 0.000 0.623 504 A CB -0.715 18.213 19.000 -0.120 0.000 0.818 504 A HN 0.383 nan 8.150 nan 0.000 0.443 505 A N -0.439 122.312 122.820 -0.114 0.000 1.877 505 A HA 0.106 4.426 4.320 -0.000 0.000 0.216 505 A C 2.432 179.986 177.584 -0.049 0.000 1.186 505 A CA 2.034 54.015 52.037 -0.094 0.000 0.620 505 A CB -1.448 17.479 19.000 -0.122 0.000 0.822 505 A HN 0.726 nan 8.150 nan 0.000 0.443 506 G N -0.283 108.495 108.800 -0.037 0.000 2.433 506 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 506 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 506 G C 1.668 176.574 174.900 0.010 0.000 1.186 506 G CA 1.102 46.208 45.100 0.009 0.000 0.779 506 G HN 0.575 nan 8.290 nan 0.000 0.543 507 K N -0.095 120.306 120.400 0.002 0.000 2.103 507 K HA 0.053 4.373 4.320 -0.000 0.000 0.207 507 K C 1.919 178.526 176.600 0.012 0.000 1.048 507 K CA 0.744 57.035 56.287 0.007 0.000 0.930 507 K CB -0.191 32.313 32.500 0.007 0.000 0.716 507 K HN 0.298 nan 8.250 nan 0.000 0.444 508 L N -0.483 120.746 121.223 0.010 0.000 2.741 508 L HA 0.229 4.569 4.340 -0.000 0.000 0.237 508 L C 0.896 177.790 176.870 0.039 0.000 1.178 508 L CA 0.050 54.903 54.840 0.022 0.000 0.973 508 L CB 0.463 42.532 42.059 0.016 0.000 1.255 508 L HN 0.404 nan 8.230 nan 0.000 0.498 509 G N 0.199 109.021 108.800 0.038 0.000 2.175 509 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 509 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 509 G C 0.716 175.664 174.900 0.080 0.000 0.982 509 G CA 0.061 45.203 45.100 0.070 0.000 0.641 509 G HN 0.288 nan 8.290 nan 0.000 0.527 510 L N 0.094 121.321 121.223 0.007 0.000 2.610 510 L HA 0.297 4.637 4.340 -0.000 0.000 0.232 510 L C 1.988 178.843 176.870 -0.024 0.000 1.149 510 L CA 0.482 55.300 54.840 -0.036 0.000 0.872 510 L CB -0.096 41.872 42.059 -0.152 0.000 0.992 510 L HN 0.303 nan 8.230 nan 0.000 0.447 511 L N -1.047 120.175 121.223 -0.001 0.000 2.769 511 L HA 0.211 4.551 4.340 -0.000 0.000 0.240 511 L C 0.065 176.944 176.870 0.015 0.000 1.163 511 L CA -0.103 54.739 54.840 0.003 0.000 0.962 511 L CB 0.179 42.264 42.059 0.043 0.000 1.258 511 L HN 0.031 nan 8.230 nan 0.000 0.513 512 D N 0.849 121.265 120.400 0.026 0.000 2.329 512 D HA 0.207 4.847 4.640 -0.000 0.000 0.232 512 D C -1.795 174.520 176.300 0.025 0.000 1.088 512 D CA -2.089 51.929 54.000 0.030 0.000 0.835 512 D CB 2.239 43.063 40.800 0.041 0.000 1.078 512 D HN -0.173 nan 8.370 nan 0.000 0.495 513 P HA -0.125 nan 4.420 nan 0.000 0.218 513 P C 0.878 178.190 177.300 0.020 0.000 1.146 513 P CA 1.152 64.261 63.100 0.014 0.000 0.813 513 P CB 0.251 31.965 31.700 0.024 0.000 0.778 514 A N -0.767 122.063 122.820 0.018 0.000 2.121 514 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 514 A C 1.835 179.418 177.584 -0.002 0.000 1.154 514 A CA 1.348 53.390 52.037 0.008 0.000 0.679 514 A CB -0.926 18.077 19.000 0.005 0.000 0.795 514 A HN 0.164 nan 8.150 nan 0.000 0.458 515 N N -0.370 118.343 118.700 0.021 0.000 2.270 515 N HA 0.083 4.823 4.740 -0.000 0.000 0.198 515 N C 1.223 176.757 175.510 0.041 0.000 1.117 515 N CA 0.278 53.334 53.050 0.010 0.000 0.845 515 N CB 0.570 39.134 38.487 0.129 0.000 0.980 515 N HN 0.234 nan 8.380 nan 0.000 0.486 516 V N 1.035 120.975 119.914 0.043 0.000 2.343 516 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 516 V C 2.392 178.506 176.094 0.033 0.000 1.051 516 V CA 1.485 63.822 62.300 0.061 0.000 1.036 516 V CB -0.148 31.706 31.823 0.052 0.000 0.654 516 V HN 0.224 nan 8.190 nan 0.000 0.451 517 E N 0.113 120.308 120.200 -0.009 0.000 2.106 517 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 517 E C 2.490 179.041 176.600 -0.082 0.000 0.984 517 E CA 1.817 58.199 56.400 -0.030 0.000 0.806 517 E CB -0.345 29.334 29.700 -0.035 0.000 0.750 517 E HN 0.708 nan 8.360 nan 0.000 0.458 518 T N -2.071 112.371 114.554 -0.187 0.000 3.023 518 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 518 T C 1.499 175.943 174.700 -0.427 0.000 1.093 518 T CA 0.891 62.768 62.100 -0.371 0.000 1.129 518 T CB -0.106 68.400 68.868 -0.603 0.000 0.899 518 T HN 0.205 nan 8.240 nan 0.000 0.491 519 Y N -0.170 120.130 120.300 -0.000 0.000 2.589 519 Y HA 0.405 4.955 4.550 -0.000 0.000 0.271 519 Y C 1.462 177.362 175.900 -0.000 0.000 1.107 519 Y CA -1.112 56.986 58.100 -0.004 0.000 1.273 519 Y CB 0.475 38.929 38.460 -0.010 0.000 1.266 519 Y HN 0.199 nan 8.280 nan 0.000 0.504 520 C N 2.138 121.529 119.300 0.151 0.000 2.593 520 C HA 0.536 4.996 4.460 -0.000 0.000 0.409 520 C C 1.402 176.436 174.990 0.074 0.000 1.304 520 C CA -1.029 58.052 59.018 0.104 0.000 2.007 520 C CB -0.319 27.483 27.740 0.103 0.000 2.614 520 C HN 0.538 nan 8.230 nan 0.000 0.585 521 G N 2.048 110.886 108.800 0.063 0.000 2.667 521 G HA2 0.163 4.123 3.960 -0.000 0.000 0.250 521 G HA3 0.163 4.123 3.960 -0.000 0.000 0.250 521 G C 0.512 175.445 174.900 0.054 0.000 1.212 521 G CA -0.140 44.989 45.100 0.048 0.000 0.874 521 G HN 0.793 nan 8.290 nan 0.000 0.561 522 D N 0.495 120.922 120.400 0.045 0.000 2.149 522 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 522 D C 2.506 178.845 176.300 0.066 0.000 0.990 522 D CA 1.604 55.634 54.000 0.049 0.000 0.839 522 D CB -0.513 40.309 40.800 0.037 0.000 0.948 522 D HN 0.449 nan 8.370 nan 0.000 0.460 523 G N 0.980 109.816 108.800 0.060 0.000 2.453 523 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.215 523 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.215 523 G C 1.584 176.555 174.900 0.119 0.000 1.201 523 G CA 0.701 45.843 45.100 0.070 0.000 0.784 523 G HN 0.256 nan 8.290 nan 0.000 0.545 524 L N 0.954 122.245 121.223 0.113 0.000 2.017 524 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 524 L C 2.670 179.678 176.870 0.231 0.000 1.073 524 L CA 2.669 57.620 54.840 0.185 0.000 0.745 524 L CB -0.727 41.413 42.059 0.136 0.000 0.894 524 L HN 0.291 nan 8.230 nan 0.000 0.432 525 K N -0.884 119.607 120.400 0.151 0.000 2.044 525 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 525 K C 1.982 178.658 176.600 0.127 0.000 1.049 525 K CA 1.650 58.012 56.287 0.125 0.000 0.927 525 K CB -0.736 31.814 32.500 0.082 0.000 0.713 525 K HN 0.516 nan 8.250 nan 0.000 0.443 526 G N 0.279 109.156 108.800 0.129 0.000 2.418 526 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 526 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 526 G C 1.326 176.313 174.900 0.145 0.000 1.158 526 G CA 0.687 45.855 45.100 0.115 0.000 0.771 526 G HN 0.397 nan 8.290 nan 0.000 0.545 527 F N 1.260 121.242 119.950 0.053 0.000 2.102 527 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 527 F C 2.432 178.277 175.800 0.076 0.000 1.105 527 F CA 1.184 59.216 58.000 0.053 0.000 1.239 527 F CB -0.203 38.833 39.000 0.060 0.000 0.991 527 F HN 0.035 nan 8.300 nan 0.000 0.474 528 L N -0.134 121.166 121.223 0.127 0.000 2.141 528 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 528 L C 2.498 179.366 176.870 -0.003 0.000 1.094 528 L CA 0.875 55.749 54.840 0.058 0.000 0.763 528 L CB -0.704 41.470 42.059 0.192 0.000 0.908 528 L HN 0.024 nan 8.230 nan 0.000 0.437 529 K N 0.316 120.726 120.400 0.018 0.000 2.026 529 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 529 K C 2.111 178.694 176.600 -0.028 0.000 1.048 529 K CA 1.240 57.533 56.287 0.009 0.000 0.929 529 K CB -0.387 32.127 32.500 0.025 0.000 0.713 529 K HN 0.202 nan 8.250 nan 0.000 0.439 530 R N 0.963 121.425 120.500 -0.062 0.000 2.083 530 R HA -0.075 4.265 4.340 -0.000 0.000 0.237 530 R C 2.484 178.708 176.300 -0.127 0.000 1.137 530 R CA 1.205 57.252 56.100 -0.088 0.000 0.951 530 R CB -0.285 29.954 30.300 -0.101 0.000 0.851 530 R HN 0.084 nan 8.270 nan 0.000 0.434 531 L N -0.718 120.369 121.223 -0.227 0.000 1.994 531 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 531 L C 2.566 179.405 176.870 -0.052 0.000 1.071 531 L CA 1.548 56.273 54.840 -0.192 0.000 0.745 531 L CB -0.922 40.966 42.059 -0.284 0.000 0.892 531 L HN 0.496 nan 8.230 nan 0.000 0.431 532 G N -0.453 108.338 108.800 -0.016 0.000 2.462 532 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 532 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 532 G C 1.300 176.217 174.900 0.027 0.000 1.121 532 G CA 0.499 45.621 45.100 0.037 0.000 0.758 532 G HN 0.472 nan 8.290 nan 0.000 0.559 533 E N 0.353 120.555 120.200 0.005 0.000 2.489 533 E HA 0.169 4.519 4.350 -0.000 0.000 0.193 533 E C 1.670 178.275 176.600 0.007 0.000 1.057 533 E CA -0.291 56.114 56.400 0.008 0.000 0.866 533 E CB 0.284 29.985 29.700 0.001 0.000 0.916 533 E HN 0.321 nan 8.360 nan 0.000 0.500 534 G N 1.438 110.241 108.800 0.005 0.000 2.614 534 G HA2 0.237 4.197 3.960 -0.000 0.000 0.239 534 G HA3 0.237 4.197 3.960 -0.000 0.000 0.239 534 G C 0.025 174.938 174.900 0.022 0.000 1.240 534 G CA -0.155 44.951 45.100 0.009 0.000 0.842 534 G HN 0.223 nan 8.290 nan 0.000 0.584 535 A N 0.659 123.491 122.820 0.020 0.000 2.567 535 A HA 0.264 4.584 4.320 -0.000 0.000 0.240 535 A C 1.147 178.750 177.584 0.031 0.000 1.053 535 A CA 0.767 52.818 52.037 0.023 0.000 0.755 535 A CB -0.548 18.463 19.000 0.020 0.000 0.978 535 A HN 1.158 nan 8.150 nan 0.000 0.507 536 N N -0.448 118.270 118.700 0.030 0.000 2.713 536 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 536 N C -0.424 175.113 175.510 0.045 0.000 1.117 536 N CA 0.960 54.030 53.050 0.033 0.000 0.770 536 N CB -1.266 37.239 38.487 0.030 0.000 1.137 536 N HN 0.693 nan 8.380 nan 0.000 0.566 537 I N 1.018 121.621 120.570 0.054 0.000 2.191 537 I HA 0.042 4.212 4.170 -0.000 0.000 0.289 537 I C 1.343 177.502 176.117 0.070 0.000 1.141 537 I CA -0.020 61.328 61.300 0.079 0.000 1.430 537 I CB 0.214 38.273 38.000 0.097 0.000 1.497 537 I HN 0.180 nan 8.210 nan 0.000 0.636 538 E N 3.095 123.328 120.200 0.054 0.000 2.072 538 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 538 E C 1.220 177.849 176.600 0.049 0.000 0.982 538 E CA 0.661 57.087 56.400 0.042 0.000 0.803 538 E CB 0.502 30.218 29.700 0.027 0.000 0.755 538 E HN 0.556 nan 8.360 nan 0.000 0.453 539 I N 1.477 122.081 120.570 0.056 0.000 2.813 539 I HA -0.014 4.156 4.170 -0.000 0.000 0.287 539 I C 0.570 176.745 176.117 0.097 0.000 1.196 539 I CA 0.060 61.396 61.300 0.059 0.000 1.421 539 I CB 0.618 38.643 38.000 0.041 0.000 1.365 539 I HN -0.064 nan 8.210 nan 0.000 0.591 540 G N 7.117 115.966 108.800 0.081 0.000 2.444 540 G HA2 0.414 4.374 3.960 -0.000 0.000 0.268 540 G HA3 0.414 4.374 3.960 -0.000 0.000 0.268 540 G C -0.634 174.338 174.900 0.119 0.000 1.203 540 G CA -0.751 44.399 45.100 0.084 0.000 0.835 540 G HN 0.599 nan 8.290 nan 0.000 0.543 541 L N 3.583 124.865 121.223 0.098 0.000 2.276 541 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 541 L C -1.660 175.168 176.870 -0.071 0.000 1.061 541 L CA -1.698 53.173 54.840 0.053 0.000 0.807 541 L CB 1.841 43.965 42.059 0.109 0.000 1.177 541 L HN 0.384 nan 8.230 nan 0.000 0.429 542 P HA 0.288 nan 4.420 nan 0.000 0.278 542 P C -2.508 174.616 177.300 -0.295 0.000 1.266 542 P CA -1.783 61.164 63.100 -0.255 0.000 0.807 542 P CB 1.030 32.570 31.700 -0.267 0.000 1.094 543 P HA -0.012 nan 4.420 nan 0.000 0.218 543 P C 0.076 177.310 177.300 -0.109 0.000 1.152 543 P CA 1.074 64.146 63.100 -0.048 0.000 0.826 543 P CB 0.211 31.932 31.700 0.035 0.000 0.790 544 V N 0.219 120.030 119.914 -0.171 0.000 2.495 544 V HA 0.292 4.412 4.120 -0.000 0.000 0.298 544 V C -0.542 175.438 176.094 -0.189 0.000 1.031 544 V CA -0.659 61.560 62.300 -0.135 0.000 0.871 544 V CB 1.216 32.973 31.823 -0.110 0.000 0.988 544 V HN -0.176 nan 8.190 nan 0.000 0.432 545 F N 3.796 123.592 119.950 -0.257 0.000 2.375 545 F HA 0.345 4.872 4.527 -0.000 0.000 0.362 545 F C 0.662 176.552 175.800 0.151 0.000 1.129 545 F CA -0.495 57.400 58.000 -0.175 0.000 1.154 545 F CB 0.257 38.980 39.000 -0.462 0.000 1.205 545 F HN 0.495 nan 8.300 nan 0.000 0.513 546 H N 5.370 124.649 119.070 0.348 0.000 3.086 546 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 546 H C 0.493 176.038 175.328 0.361 0.000 1.092 546 H CA 0.196 56.413 56.048 0.282 0.000 1.487 546 H CB 0.679 30.563 29.762 0.204 0.000 1.514 546 H HN 0.711 nan 8.280 nan 0.000 0.497 547 M N 3.497 123.452 119.600 0.592 0.000 2.495 547 M HA 0.178 4.658 4.480 -0.000 0.000 0.237 547 M C 0.926 177.434 176.300 0.346 0.000 1.131 547 M CA 0.622 56.186 55.300 0.440 0.000 1.032 547 M CB 0.626 33.447 32.600 0.368 0.000 1.513 547 M HN 0.830 nan 8.290 nan 0.000 0.488 548 G N 0.121 109.193 108.800 0.454 0.000 2.306 548 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.262 548 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.262 548 G C -0.479 174.624 174.900 0.338 0.000 1.263 548 G CA -0.382 44.879 45.100 0.268 0.000 1.088 548 G HN 0.360 nan 8.290 nan 0.000 0.489 549 S N -1.242 114.587 115.700 0.215 0.000 2.640 549 S HA 0.376 4.846 4.470 -0.000 0.000 0.262 549 S C 1.691 176.413 174.600 0.203 0.000 1.232 549 S CA 0.569 58.886 58.200 0.195 0.000 0.988 549 S CB 0.764 64.065 63.200 0.167 0.000 1.034 549 S HN 1.412 nan 8.310 nan 0.000 0.569 550 C N 0.327 119.766 119.300 0.231 0.000 2.413 550 C HA -0.081 4.379 4.460 -0.000 0.000 0.276 550 C C 2.938 178.008 174.990 0.133 0.000 1.236 550 C CA 0.988 60.156 59.018 0.249 0.000 1.735 550 C CB -1.760 26.222 27.740 0.402 0.000 2.031 550 C HN 0.796 nan 8.230 nan 0.000 0.474 551 V N -0.283 119.654 119.914 0.038 0.000 2.594 551 V HA -0.155 3.965 4.120 -0.000 0.000 0.253 551 V C 1.496 177.551 176.094 -0.065 0.000 1.069 551 V CA 2.450 64.654 62.300 -0.161 0.000 1.082 551 V CB -0.952 30.701 31.823 -0.285 0.000 0.680 551 V HN 0.366 nan 8.190 nan 0.000 0.469 552 D N 0.933 121.360 120.400 0.046 0.000 2.392 552 D HA -0.057 4.583 4.640 -0.000 0.000 0.228 552 D C 1.806 178.198 176.300 0.154 0.000 1.003 552 D CA 0.515 54.563 54.000 0.079 0.000 0.917 552 D CB -0.555 40.325 40.800 0.134 0.000 0.890 552 D HN 0.491 nan 8.370 nan 0.000 0.532 553 N N -0.073 118.752 118.700 0.209 0.000 2.453 553 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 553 N C 1.667 177.375 175.510 0.331 0.000 1.041 553 N CA 0.613 53.891 53.050 0.380 0.000 0.900 553 N CB 0.058 38.839 38.487 0.491 0.000 0.961 553 N HN 0.225 nan 8.380 nan 0.000 0.443 554 S N 0.626 116.379 115.700 0.089 0.000 2.423 554 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 554 S C 1.821 176.408 174.600 -0.023 0.000 1.014 554 S CA 0.430 58.587 58.200 -0.072 0.000 0.965 554 S CB -0.107 62.802 63.200 -0.485 0.000 0.785 554 S HN 0.279 nan 8.310 nan 0.000 0.495 555 R N 1.445 121.969 120.500 0.040 0.000 2.092 555 R HA 0.143 4.483 4.340 -0.000 0.000 0.231 555 R C 2.740 179.181 176.300 0.234 0.000 1.119 555 R CA 1.180 57.346 56.100 0.109 0.000 0.970 555 R CB -0.745 29.643 30.300 0.147 0.000 0.864 555 R HN 0.559 nan 8.270 nan 0.000 0.440 556 A N 0.826 123.858 122.820 0.354 0.000 1.972 556 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 556 A C 2.328 180.216 177.584 0.507 0.000 1.169 556 A CA 1.189 53.540 52.037 0.524 0.000 0.635 556 A CB -0.369 19.077 19.000 0.743 0.000 0.810 556 A HN 0.103 nan 8.150 nan 0.000 0.446 557 V N 0.623 120.771 119.914 0.389 0.000 2.358 557 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 557 V C 2.094 178.262 176.094 0.123 0.000 1.047 557 V CA 2.142 64.552 62.300 0.184 0.000 1.035 557 V CB -0.745 31.076 31.823 -0.004 0.000 0.658 557 V HN 0.513 nan 8.190 nan 0.000 0.452 558 D N 0.082 120.586 120.400 0.173 0.000 2.149 558 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 558 D C 1.996 178.362 176.300 0.109 0.000 0.990 558 D CA 1.285 55.375 54.000 0.150 0.000 0.839 558 D CB -0.207 40.699 40.800 0.177 0.000 0.948 558 D HN 0.383 nan 8.370 nan 0.000 0.460 559 L N 0.769 122.081 121.223 0.148 0.000 2.056 559 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 559 L C 2.118 179.026 176.870 0.065 0.000 1.078 559 L CA 1.236 56.162 54.840 0.144 0.000 0.749 559 L CB -0.700 41.510 42.059 0.252 0.000 0.901 559 L HN -0.009 nan 8.230 nan 0.000 0.433 560 L N -0.886 120.304 121.223 -0.055 0.000 2.046 560 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 560 L C 2.276 179.061 176.870 -0.141 0.000 1.077 560 L CA 1.896 56.555 54.840 -0.302 0.000 0.747 560 L CB -0.565 41.107 42.059 -0.646 0.000 0.896 560 L HN 0.258 nan 8.230 nan 0.000 0.432 561 M N -0.388 119.165 119.600 -0.078 0.000 2.175 561 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 561 M C 2.442 178.723 176.300 -0.031 0.000 1.063 561 M CA 1.655 56.921 55.300 -0.057 0.000 1.119 561 M CB -1.766 30.813 32.600 -0.035 0.000 1.377 561 M HN 0.472 nan 8.290 nan 0.000 0.415 562 A N 0.146 122.963 122.820 -0.005 0.000 1.902 562 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 562 A C 2.283 179.864 177.584 -0.004 0.000 1.181 562 A CA 1.589 53.629 52.037 0.005 0.000 0.623 562 A CB -0.551 18.465 19.000 0.027 0.000 0.818 562 A HN 0.464 nan 8.150 nan 0.000 0.443 563 M N -0.612 118.985 119.600 -0.004 0.000 2.086 563 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 563 M C 2.583 178.875 176.300 -0.014 0.000 1.067 563 M CA 1.524 56.822 55.300 -0.003 0.000 1.116 563 M CB -0.477 32.135 32.600 0.021 0.000 1.348 563 M HN 0.487 nan 8.290 nan 0.000 0.407 564 A N 0.778 123.579 122.820 -0.032 0.000 1.902 564 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 564 A C 1.861 179.429 177.584 -0.027 0.000 1.181 564 A CA 1.820 53.836 52.037 -0.035 0.000 0.623 564 A CB -0.801 18.163 19.000 -0.059 0.000 0.818 564 A HN 0.489 nan 8.150 nan 0.000 0.443 565 N N -0.057 118.626 118.700 -0.028 0.000 2.188 565 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 565 N C 1.413 176.913 175.510 -0.016 0.000 1.018 565 N CA 1.654 54.690 53.050 -0.024 0.000 0.858 565 N CB -0.421 38.052 38.487 -0.024 0.000 0.989 565 N HN 0.674 nan 8.380 nan 0.000 0.426 566 D N 0.593 120.986 120.400 -0.012 0.000 2.149 566 D HA -0.005 4.635 4.640 -0.000 0.000 0.201 566 D C 1.841 178.136 176.300 -0.008 0.000 0.972 566 D CA 0.533 54.528 54.000 -0.009 0.000 0.835 566 D CB 0.028 40.824 40.800 -0.007 0.000 0.966 566 D HN 0.144 nan 8.370 nan 0.000 0.476 567 L N -0.686 120.532 121.223 -0.009 0.000 2.478 567 L HA 0.210 4.550 4.340 -0.000 0.000 0.223 567 L C 1.416 178.284 176.870 -0.004 0.000 1.140 567 L CA 0.462 55.299 54.840 -0.005 0.000 0.842 567 L CB -0.240 41.817 42.059 -0.003 0.000 0.953 567 L HN 0.294 nan 8.230 nan 0.000 0.452 568 G N 1.146 109.941 108.800 -0.008 0.000 2.246 568 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.273 568 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.273 568 G C -0.030 174.867 174.900 -0.005 0.000 1.055 568 G CA 0.364 45.459 45.100 -0.009 0.000 0.851 568 G HN 0.334 nan 8.290 nan 0.000 0.500 569 V N -4.098 115.813 119.914 -0.005 0.000 3.181 569 V HA 0.890 5.010 4.120 -0.000 0.000 0.308 569 V C -0.049 176.039 176.094 -0.009 0.000 1.214 569 V CA -0.962 61.341 62.300 0.005 0.000 1.053 569 V CB 2.059 33.895 31.823 0.022 0.000 1.069 569 V HN 0.209 nan 8.190 nan 0.000 0.441 570 D N 0.937 121.338 120.400 0.003 0.000 2.354 570 D HA 0.319 4.959 4.640 -0.000 0.000 0.247 570 D C 1.587 177.851 176.300 -0.060 0.000 1.138 570 D CA 0.646 54.628 54.000 -0.030 0.000 0.958 570 D CB 2.049 42.853 40.800 0.007 0.000 1.144 570 D HN 1.011 nan 8.370 nan 0.000 0.458 571 T N -0.864 113.627 114.554 -0.106 0.000 2.778 571 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 571 T C -1.104 173.523 174.700 -0.122 0.000 1.050 571 T CA 0.859 62.889 62.100 -0.115 0.000 1.137 571 T CB -1.187 67.602 68.868 -0.132 0.000 0.860 571 T HN 0.333 nan 8.240 nan 0.000 0.468 572 P HA 0.006 nan 4.420 nan 0.000 0.223 572 P C 1.052 178.305 177.300 -0.080 0.000 1.144 572 P CA 1.065 63.997 63.100 -0.280 0.000 0.783 572 P CB -0.120 31.058 31.700 -0.869 0.000 0.771 573 K N -1.468 118.921 120.400 -0.019 0.000 2.374 573 K HA 0.142 4.462 4.320 -0.000 0.000 0.196 573 K C 0.089 176.714 176.600 0.042 0.000 1.023 573 K CA 0.001 56.316 56.287 0.046 0.000 1.103 573 K CB 0.475 33.016 32.500 0.068 0.000 0.848 573 K HN -0.016 nan 8.250 nan 0.000 0.528 574 V N 3.261 123.193 119.914 0.030 0.000 2.530 574 V HA 0.110 4.230 4.120 -0.000 0.000 0.282 574 V C -2.334 173.821 176.094 0.102 0.000 1.048 574 V CA -1.766 60.565 62.300 0.052 0.000 0.997 574 V CB 1.008 32.848 31.823 0.029 0.000 0.987 574 V HN -0.027 nan 8.190 nan 0.000 0.477 575 P HA 0.250 nan 4.420 nan 0.000 0.244 575 P C -0.950 176.429 177.300 0.133 0.000 1.769 575 P CA 0.430 63.590 63.100 0.100 0.000 1.102 575 P CB -0.445 31.290 31.700 0.058 0.000 1.937 576 F N 3.053 122.978 119.950 -0.042 0.000 2.574 576 F HA 0.529 5.056 4.527 -0.000 0.000 0.313 576 F C -0.973 174.737 175.800 -0.151 0.000 1.130 576 F CA -1.034 56.915 58.000 -0.085 0.000 0.936 576 F CB 1.638 40.598 39.000 -0.068 0.000 1.219 576 F HN -0.049 nan 8.300 nan 0.000 0.445 577 V N 2.507 122.230 119.914 -0.317 0.000 2.876 577 V HA 0.996 5.116 4.120 -0.000 0.000 0.312 577 V C -0.997 174.787 176.094 -0.516 0.000 1.085 577 V CA -0.634 61.496 62.300 -0.283 0.000 0.945 577 V CB 1.089 32.781 31.823 -0.219 0.000 1.017 577 V HN 1.096 nan 8.190 nan 0.000 0.428 578 A N 2.258 124.766 122.820 -0.519 0.000 2.340 578 A HA 0.949 5.269 4.320 -0.000 0.000 0.331 578 A C -0.106 177.266 177.584 -0.353 0.000 1.140 578 A CA -0.220 51.412 52.037 -0.675 0.000 0.801 578 A CB 1.716 19.903 19.000 -1.355 0.000 1.234 578 A HN 1.837 nan 8.150 nan 0.000 0.469 579 S N 0.055 115.622 115.700 -0.221 0.000 2.572 579 S HA 0.634 5.104 4.470 -0.000 0.000 0.274 579 S C -0.908 173.708 174.600 0.027 0.000 1.150 579 S CA 0.219 58.415 58.200 -0.007 0.000 0.944 579 S CB 1.349 64.603 63.200 0.090 0.000 1.071 579 S HN 1.994 nan 8.310 nan 0.000 0.479 580 A N 6.370 129.195 122.820 0.009 0.000 2.802 580 A HA 0.633 4.953 4.320 -0.000 0.000 0.344 580 A C -2.252 175.323 177.584 -0.014 0.000 1.215 580 A CA -1.542 50.517 52.037 0.037 0.000 0.821 580 A CB 0.385 19.401 19.000 0.027 0.000 1.099 580 A HN 0.618 nan 8.150 nan 0.000 0.479 581 P HA -0.171 nan 4.420 nan 0.000 0.216 581 P C 0.357 177.578 177.300 -0.131 0.000 1.150 581 P CA 1.529 64.626 63.100 -0.004 0.000 0.843 581 P CB 0.282 31.921 31.700 -0.101 0.000 0.787 582 E N -1.491 118.594 120.200 -0.192 0.000 3.646 582 E HA 0.394 4.744 4.350 -0.000 0.000 0.211 582 E C -0.447 176.151 176.600 -0.004 0.000 1.034 582 E CA -0.572 55.757 56.400 -0.119 0.000 1.341 582 E CB 0.430 30.005 29.700 -0.209 0.000 1.202 582 E HN 0.055 nan 8.360 nan 0.000 0.447 583 A N 1.133 123.955 122.820 0.003 0.000 2.540 583 A HA 0.154 4.474 4.320 -0.000 0.000 0.239 583 A C 0.637 178.226 177.584 0.008 0.000 1.061 583 A CA 0.599 52.646 52.037 0.016 0.000 0.758 583 A CB 0.355 19.362 19.000 0.012 0.000 0.991 583 A HN 0.589 nan 8.150 nan 0.000 0.502 584 M N 2.166 121.758 119.600 -0.013 0.000 2.146 584 M HA 0.095 4.575 4.480 -0.000 0.000 0.194 584 M C 0.935 177.203 176.300 -0.053 0.000 1.652 584 M CA 0.693 55.978 55.300 -0.025 0.000 0.986 584 M CB 0.049 32.622 32.600 -0.046 0.000 1.496 584 M HN 0.843 nan 8.290 nan 0.000 0.576 585 S N 0.452 116.093 115.700 -0.098 0.000 2.576 585 S HA 0.259 4.729 4.470 -0.000 0.000 0.272 585 S C 1.140 175.703 174.600 -0.063 0.000 1.352 585 S CA -0.063 58.076 58.200 -0.102 0.000 1.021 585 S CB 0.636 63.752 63.200 -0.141 0.000 0.887 585 S HN 0.521 nan 8.310 nan 0.000 0.542 586 G N 0.729 109.489 108.800 -0.067 0.000 2.422 586 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 586 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 586 G C 1.298 176.167 174.900 -0.053 0.000 1.140 586 G CA 0.448 45.520 45.100 -0.047 0.000 0.775 586 G HN 0.748 nan 8.290 nan 0.000 0.545 587 K N 0.443 120.782 120.400 -0.102 0.000 2.057 587 K HA -0.003 4.317 4.320 -0.000 0.000 0.207 587 K C 2.928 179.537 176.600 0.016 0.000 1.049 587 K CA 1.035 57.251 56.287 -0.118 0.000 0.931 587 K CB -0.191 32.168 32.500 -0.235 0.000 0.714 587 K HN 0.274 nan 8.250 nan 0.000 0.440 588 A N 1.343 124.167 122.820 0.008 0.000 1.933 588 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 588 A C 2.333 179.932 177.584 0.025 0.000 1.175 588 A CA 1.779 53.834 52.037 0.030 0.000 0.628 588 A CB -0.608 18.405 19.000 0.023 0.000 0.814 588 A HN 0.342 nan 8.150 nan 0.000 0.444 589 A N -0.047 122.783 122.820 0.017 0.000 1.877 589 A HA 0.151 4.471 4.320 -0.000 0.000 0.216 589 A C 2.519 180.135 177.584 0.053 0.000 1.186 589 A CA 2.146 54.202 52.037 0.032 0.000 0.620 589 A CB -1.049 17.954 19.000 0.006 0.000 0.822 589 A HN 1.039 nan 8.150 nan 0.000 0.443 590 A N -0.126 122.719 122.820 0.041 0.000 1.902 590 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 590 A C 2.136 179.673 177.584 -0.079 0.000 1.181 590 A CA 1.512 53.593 52.037 0.073 0.000 0.623 590 A CB -0.614 18.472 19.000 0.143 0.000 0.818 590 A HN 0.495 nan 8.150 nan 0.000 0.443 591 I N -0.311 120.129 120.570 -0.216 0.000 2.179 591 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 591 I C 2.714 178.340 176.117 -0.818 0.000 1.088 591 I CA 1.178 61.949 61.300 -0.881 0.000 1.357 591 I CB -0.660 37.109 38.000 -0.385 0.000 1.051 591 I HN 0.407 nan 8.210 nan 0.000 0.409 592 G N 0.121 108.810 108.800 -0.185 0.000 2.442 592 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.219 592 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.219 592 G C 1.648 176.542 174.900 -0.009 0.000 1.141 592 G CA 1.442 46.580 45.100 0.063 0.000 0.763 592 G HN 0.295 nan 8.290 nan 0.000 0.554 593 T N 0.890 115.510 114.554 0.110 0.000 2.777 593 T HA -0.126 4.223 4.350 -0.000 0.000 0.266 593 T C 2.059 176.744 174.700 -0.025 0.000 1.040 593 T CA 1.384 63.561 62.100 0.128 0.000 1.141 593 T CB -0.341 68.640 68.868 0.188 0.000 0.868 593 T HN 0.792 nan 8.240 nan 0.000 0.444 594 W N -0.611 120.622 121.300 -0.111 0.000 2.519 594 W HA 0.041 4.701 4.660 -0.000 0.000 0.266 594 W C 1.684 178.058 176.519 -0.243 0.000 1.253 594 W CA -0.366 56.832 57.345 -0.245 0.000 1.274 594 W CB -1.076 28.213 29.460 -0.286 0.000 1.114 594 W HN 0.284 nan 8.180 nan 0.000 0.596 595 W N 1.605 122.850 121.300 -0.092 0.000 2.355 595 W HA -0.204 4.456 4.660 -0.000 0.000 0.309 595 W C 2.681 179.092 176.519 -0.181 0.000 1.206 595 W CA 1.516 58.800 57.345 -0.103 0.000 1.284 595 W CB -0.755 28.517 29.460 -0.314 0.000 1.145 595 W HN -0.350 nan 8.180 nan 0.000 0.502 596 V N -0.149 119.698 119.914 -0.112 0.000 2.287 596 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 596 V C 2.095 178.109 176.094 -0.134 0.000 1.053 596 V CA 2.270 64.408 62.300 -0.271 0.000 1.027 596 V CB -1.213 30.269 31.823 -0.568 0.000 0.646 596 V HN 0.109 nan 8.190 nan 0.000 0.447 597 S N -0.094 115.505 115.700 -0.169 0.000 2.382 597 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 597 S C 1.650 176.318 174.600 0.113 0.000 1.027 597 S CA 1.263 59.321 58.200 -0.237 0.000 0.991 597 S CB -0.341 62.643 63.200 -0.360 0.000 0.823 597 S HN 0.488 nan 8.310 nan 0.000 0.469 598 L N 1.061 122.356 121.223 0.120 0.000 2.675 598 L HA 0.162 4.502 4.340 -0.000 0.000 0.239 598 L C 1.478 178.364 176.870 0.027 0.000 1.151 598 L CA 0.258 55.160 54.840 0.104 0.000 0.905 598 L CB -0.666 41.422 42.059 0.048 0.000 1.057 598 L HN 0.513 nan 8.230 nan 0.000 0.435 599 G N -0.056 108.752 108.800 0.013 0.000 2.137 599 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.237 599 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.237 599 G C -0.060 174.798 174.900 -0.069 0.000 1.002 599 G CA -0.004 45.054 45.100 -0.071 0.000 0.702 599 G HN 0.129 nan 8.290 nan 0.000 0.515 600 V N 0.749 120.644 119.914 -0.032 0.000 2.513 600 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 600 V C -1.976 173.952 176.094 -0.277 0.000 1.035 600 V CA -1.950 60.310 62.300 -0.067 0.000 0.889 600 V CB 2.238 34.096 31.823 0.058 0.000 0.988 600 V HN 0.067 nan 8.190 nan 0.000 0.440 601 P HA 0.216 nan 4.420 nan 0.000 0.271 601 P C -0.665 176.317 177.300 -0.529 0.000 1.220 601 P CA 0.184 62.816 63.100 -0.779 0.000 0.768 601 P CB 0.335 31.734 31.700 -0.502 0.000 0.848 602 T N 3.114 117.317 114.554 -0.584 0.000 2.892 602 T HA 0.180 4.530 4.350 -0.000 0.000 0.311 602 T C -0.558 174.004 174.700 -0.230 0.000 1.033 602 T CA -0.418 61.440 62.100 -0.403 0.000 0.991 602 T CB 0.019 68.590 68.868 -0.494 0.000 0.981 602 T HN 0.427 nan 8.240 nan 0.000 0.457 603 H N 3.257 122.207 119.070 -0.200 0.000 2.548 603 H HA 0.546 5.102 4.556 -0.000 0.000 0.331 603 H C -1.280 174.049 175.328 0.002 0.000 1.093 603 H CA -0.307 55.684 56.048 -0.095 0.000 1.367 603 H CB 0.834 30.538 29.762 -0.096 0.000 1.455 603 H HN 0.301 nan 8.280 nan 0.000 0.519 604 V N 4.521 124.042 119.914 -0.656 0.000 2.483 604 V HA 0.210 4.330 4.120 -0.000 0.000 0.297 604 V C 1.095 176.884 176.094 -0.507 0.000 1.027 604 V CA -0.224 61.839 62.300 -0.395 0.000 0.855 604 V CB 1.661 33.549 31.823 0.108 0.000 0.995 604 V HN 1.008 nan 8.190 nan 0.000 0.424 605 G N 2.833 111.396 108.800 -0.395 0.000 3.210 605 G HA2 0.335 4.295 3.960 -0.000 0.000 0.220 605 G HA3 0.335 4.295 3.960 -0.000 0.000 0.220 605 G C 0.459 175.374 174.900 0.024 0.000 1.200 605 G CA 0.731 45.786 45.100 -0.074 0.000 0.834 605 G HN 0.781 nan 8.290 nan 0.000 0.524 606 T N -3.377 111.191 114.554 0.023 0.000 2.923 606 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 606 T C -0.790 173.905 174.700 -0.007 0.000 1.183 606 T CA -0.929 61.198 62.100 0.046 0.000 1.020 606 T CB 2.205 71.096 68.868 0.039 0.000 1.165 606 T HN -0.074 nan 8.240 nan 0.000 0.482 607 M N 2.965 122.534 119.600 -0.052 0.000 2.108 607 M HA 0.515 4.995 4.480 -0.000 0.000 0.354 607 M C -2.612 173.429 176.300 -0.432 0.000 1.229 607 M CA -1.770 53.344 55.300 -0.310 0.000 1.081 607 M CB 0.531 32.973 32.600 -0.263 0.000 1.606 607 M HN 0.426 nan 8.290 nan 0.000 0.467 608 P HA 0.282 nan 4.420 nan 0.000 0.274 608 P C -2.608 174.427 177.300 -0.443 0.000 1.256 608 P CA -0.984 61.880 63.100 -0.395 0.000 0.795 608 P CB -0.176 31.298 31.700 -0.377 0.000 1.038 609 P HA 0.008 nan 4.420 nan 0.000 0.230 609 P C 0.277 177.462 177.300 -0.191 0.000 1.791 609 P CA 0.227 63.162 63.100 -0.275 0.000 1.020 609 P CB -0.375 31.230 31.700 -0.157 0.000 1.977 610 V N -1.503 118.282 119.914 -0.215 0.000 3.451 610 V HA 0.224 4.344 4.120 -0.000 0.000 0.288 610 V C 1.631 177.746 176.094 0.035 0.000 1.502 610 V CA 0.219 62.471 62.300 -0.080 0.000 1.026 610 V CB -0.383 31.377 31.823 -0.104 0.000 0.840 610 V HN 0.020 nan 8.190 nan 0.000 0.437 611 E N 2.135 122.317 120.200 -0.031 0.000 2.268 611 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 611 E C 2.110 178.703 176.600 -0.010 0.000 0.995 611 E CA 1.116 57.505 56.400 -0.018 0.000 0.836 611 E CB -0.206 29.439 29.700 -0.091 0.000 0.763 611 E HN 0.747 nan 8.360 nan 0.000 0.491 612 G N 0.705 109.502 108.800 -0.005 0.000 2.535 612 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 612 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 612 G C 0.616 175.537 174.900 0.035 0.000 1.122 612 G CA 0.406 45.510 45.100 0.006 0.000 0.769 612 G HN 0.133 nan 8.290 nan 0.000 0.549 613 S N -0.312 115.436 115.700 0.080 0.000 2.756 613 S HA 0.356 4.826 4.470 -0.000 0.000 0.303 613 S C 0.267 174.978 174.600 0.186 0.000 1.135 613 S CA -0.720 57.564 58.200 0.140 0.000 1.066 613 S CB 1.214 64.526 63.200 0.186 0.000 1.008 613 S HN 0.067 nan 8.310 nan 0.000 0.482 614 D N 3.709 124.207 120.400 0.163 0.000 2.219 614 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 614 D C 1.861 178.291 176.300 0.216 0.000 0.970 614 D CA 0.458 54.562 54.000 0.175 0.000 0.851 614 D CB 0.113 40.984 40.800 0.118 0.000 0.943 614 D HN 0.438 nan 8.370 nan 0.000 0.488 615 L N 1.183 122.534 121.223 0.213 0.000 1.976 615 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 615 L C 2.083 179.050 176.870 0.162 0.000 1.071 615 L CA 1.381 56.317 54.840 0.160 0.000 0.746 615 L CB -0.791 41.357 42.059 0.147 0.000 0.890 615 L HN -0.063 nan 8.230 nan 0.000 0.432 616 I N -0.731 119.959 120.570 0.201 0.000 2.179 616 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 616 I C 2.611 178.844 176.117 0.194 0.000 1.088 616 I CA 1.341 62.749 61.300 0.180 0.000 1.357 616 I CB -1.500 36.606 38.000 0.176 0.000 1.051 616 I HN 0.307 nan 8.210 nan 0.000 0.409 617 Y N 1.488 121.866 120.300 0.130 0.000 2.165 617 Y HA -0.307 4.243 4.550 -0.000 0.000 0.286 617 Y C 3.085 179.101 175.900 0.193 0.000 1.155 617 Y CA 2.208 60.403 58.100 0.158 0.000 1.164 617 Y CB -0.244 38.287 38.460 0.118 0.000 0.978 617 Y HN 0.129 nan 8.280 nan 0.000 0.513 618 S N -0.290 115.599 115.700 0.315 0.000 2.383 618 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 618 S C 2.018 176.710 174.600 0.154 0.000 1.026 618 S CA 1.457 59.796 58.200 0.232 0.000 0.981 618 S CB -0.576 62.740 63.200 0.192 0.000 0.818 618 S HN 0.526 nan 8.310 nan 0.000 0.472 619 I N 1.127 121.788 120.570 0.151 0.000 2.252 619 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 619 I C 2.148 178.386 176.117 0.201 0.000 1.102 619 I CA 1.063 62.463 61.300 0.167 0.000 1.385 619 I CB -0.292 37.810 38.000 0.170 0.000 1.064 619 I HN 0.322 nan 8.210 nan 0.000 0.414 620 L N 0.110 121.446 121.223 0.188 0.000 2.093 620 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 620 L C 2.621 179.641 176.870 0.250 0.000 1.085 620 L CA 1.929 56.934 54.840 0.276 0.000 0.755 620 L CB -0.792 41.407 42.059 0.234 0.000 0.904 620 L HN 0.417 nan 8.230 nan 0.000 0.435 621 T N -4.819 109.788 114.554 0.089 0.000 3.037 621 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 621 T C 1.505 176.264 174.700 0.097 0.000 1.079 621 T CA 0.108 62.262 62.100 0.091 0.000 1.067 621 T CB 0.422 69.287 68.868 -0.006 0.000 0.948 621 T HN 0.335 nan 8.240 nan 0.000 0.496 622 Q N -0.085 119.767 119.800 0.086 0.000 2.618 622 Q HA 0.343 4.683 4.340 -0.000 0.000 0.209 622 Q C 2.001 178.022 176.000 0.035 0.000 0.797 622 Q CA -0.237 55.577 55.803 0.018 0.000 0.888 622 Q CB 0.325 29.089 28.738 0.043 0.000 1.244 622 Q HN 0.233 nan 8.270 nan 0.000 0.626 623 I N 2.020 122.644 120.570 0.090 0.000 2.264 623 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 623 I C 2.422 178.633 176.117 0.158 0.000 1.111 623 I CA 1.532 62.897 61.300 0.108 0.000 1.382 623 I CB -1.539 36.534 38.000 0.122 0.000 1.060 623 I HN 0.176 nan 8.210 nan 0.000 0.418 624 A N 1.382 124.330 122.820 0.213 0.000 1.940 624 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 624 A C 2.535 180.269 177.584 0.249 0.000 1.176 624 A CA 2.370 54.584 52.037 0.295 0.000 0.631 624 A CB -0.858 18.319 19.000 0.296 0.000 0.814 624 A HN 0.586 nan 8.150 nan 0.000 0.446 625 S N -0.365 115.441 115.700 0.176 0.000 2.447 625 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 625 S C 1.231 175.930 174.600 0.165 0.000 1.006 625 S CA 1.331 59.615 58.200 0.140 0.000 0.957 625 S CB -0.322 62.795 63.200 -0.139 0.000 0.773 625 S HN 0.572 nan 8.310 nan 0.000 0.507 626 D N 0.993 121.477 120.400 0.140 0.000 2.216 626 D HA 0.115 4.755 4.640 -0.000 0.000 0.208 626 D C 2.072 178.475 176.300 0.171 0.000 0.960 626 D CA 0.734 54.823 54.000 0.149 0.000 0.861 626 D CB -0.008 40.834 40.800 0.069 0.000 0.985 626 D HN 0.367 nan 8.370 nan 0.000 0.493 627 V N 0.124 120.113 119.914 0.125 0.000 2.331 627 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 627 V C 1.823 177.798 176.094 -0.199 0.000 1.034 627 V CA 1.294 63.580 62.300 -0.025 0.000 1.027 627 V CB -0.480 31.298 31.823 -0.074 0.000 0.667 627 V HN 0.129 nan 8.190 nan 0.000 0.457 628 Y N -0.152 120.218 120.300 0.116 0.000 2.503 628 Y HA 0.458 5.007 4.550 -0.000 0.000 0.277 628 Y C 2.049 177.889 175.900 -0.100 0.000 1.102 628 Y CA 0.785 58.890 58.100 0.007 0.000 1.261 628 Y CB 0.605 39.058 38.460 -0.012 0.000 1.096 628 Y HN 0.330 nan 8.280 nan 0.000 0.546 629 G N -0.396 108.435 108.800 0.051 0.000 2.284 629 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 629 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 629 G C 0.731 175.624 174.900 -0.011 0.000 1.009 629 G CA -0.224 44.725 45.100 -0.251 0.000 0.625 629 G HN 0.679 nan 8.290 nan 0.000 0.501 630 G N -0.524 108.300 108.800 0.041 0.000 2.531 630 G HA2 0.887 4.847 3.960 -0.000 0.000 0.313 630 G HA3 0.887 4.847 3.960 -0.000 0.000 0.313 630 G C -0.570 174.376 174.900 0.076 0.000 1.238 630 G CA -0.153 44.925 45.100 -0.038 0.000 0.994 630 G HN 1.725 nan 8.290 nan 0.000 0.493 631 Y N -3.375 116.814 120.300 -0.186 0.000 2.717 631 Y HA 0.554 5.104 4.550 -0.000 0.000 0.345 631 Y C -1.611 174.100 175.900 -0.315 0.000 1.187 631 Y CA -2.108 55.877 58.100 -0.191 0.000 1.128 631 Y CB 0.479 38.897 38.460 -0.070 0.000 1.360 631 Y HN 0.453 nan 8.280 nan 0.000 0.467 632 F N 2.670 122.532 119.950 -0.148 0.000 2.396 632 F HA 0.586 5.113 4.527 -0.000 0.000 0.343 632 F C 0.206 175.742 175.800 -0.440 0.000 1.104 632 F CA -0.384 57.311 58.000 -0.509 0.000 1.161 632 F CB 1.030 39.425 39.000 -1.010 0.000 1.146 632 F HN 0.359 nan 8.300 nan 0.000 0.522 633 I N 4.697 125.137 120.570 -0.218 0.000 2.405 633 I HA 0.214 4.384 4.170 -0.000 0.000 0.280 633 I C -1.042 175.056 176.117 -0.032 0.000 1.027 633 I CA -0.325 60.978 61.300 0.006 0.000 1.161 633 I CB 0.570 38.652 38.000 0.137 0.000 1.300 633 I HN 0.417 nan 8.210 nan 0.000 0.463 634 F N 4.935 125.019 119.950 0.224 0.000 2.404 634 F HA 0.417 4.944 4.527 -0.000 0.000 0.358 634 F C 0.471 176.384 175.800 0.189 0.000 1.120 634 F CA -0.431 57.662 58.000 0.156 0.000 1.144 634 F CB 0.957 40.046 39.000 0.147 0.000 1.133 634 F HN 0.394 nan 8.300 nan 0.000 0.495 635 E N 3.489 123.913 120.200 0.373 0.000 2.334 635 E HA 0.297 4.647 4.350 -0.000 0.000 0.280 635 E C -0.503 176.256 176.600 0.266 0.000 0.899 635 E CA -0.420 56.146 56.400 0.276 0.000 0.813 635 E CB 1.186 31.001 29.700 0.191 0.000 1.318 635 E HN 0.512 nan 8.360 nan 0.000 0.399 636 M N 1.259 120.962 119.600 0.172 0.000 2.506 636 M HA 0.159 4.639 4.480 -0.000 0.000 0.260 636 M C 0.355 176.703 176.300 0.081 0.000 1.104 636 M CA 0.463 55.839 55.300 0.127 0.000 1.112 636 M CB 0.074 32.738 32.600 0.107 0.000 1.401 636 M HN 0.392 nan 8.290 nan 0.000 0.473 637 D N 1.577 122.010 120.400 0.056 0.000 2.365 637 D HA 0.108 4.748 4.640 -0.000 0.000 0.237 637 D C -1.746 174.545 176.300 -0.016 0.000 1.190 637 D CA -2.002 52.001 54.000 0.006 0.000 0.867 637 D CB 1.398 42.192 40.800 -0.010 0.000 1.050 637 D HN 0.048 nan 8.370 nan 0.000 0.491 638 P HA -0.212 nan 4.420 nan 0.000 0.216 638 P C 1.219 178.459 177.300 -0.099 0.000 1.150 638 P CA 1.001 64.065 63.100 -0.060 0.000 0.843 638 P CB 0.578 32.250 31.700 -0.048 0.000 0.787 639 Q N -0.206 119.545 119.800 -0.081 0.000 2.046 639 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 639 Q C 2.395 178.328 176.000 -0.112 0.000 0.975 639 Q CA 1.087 56.837 55.803 -0.088 0.000 0.836 639 Q CB -1.148 27.550 28.738 -0.067 0.000 0.896 639 Q HN 0.157 nan 8.270 nan 0.000 0.428 640 V N 1.114 120.965 119.914 -0.106 0.000 2.407 640 V HA -0.241 3.878 4.120 -0.000 0.000 0.248 640 V C 2.399 178.374 176.094 -0.198 0.000 1.055 640 V CA 1.622 63.843 62.300 -0.131 0.000 1.049 640 V CB -1.134 30.632 31.823 -0.095 0.000 0.662 640 V HN 0.303 nan 8.190 nan 0.000 0.455 641 A N 0.313 123.006 122.820 -0.212 0.000 1.883 641 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 641 A C 2.466 179.808 177.584 -0.403 0.000 1.186 641 A CA 2.287 54.090 52.037 -0.390 0.000 0.624 641 A CB -0.912 17.745 19.000 -0.572 0.000 0.822 641 A HN 0.578 nan 8.150 nan 0.000 0.444 642 A N -0.507 122.139 122.820 -0.291 0.000 1.908 642 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 642 A C 2.263 179.730 177.584 -0.194 0.000 1.181 642 A CA 1.902 53.804 52.037 -0.225 0.000 0.627 642 A CB -0.511 18.395 19.000 -0.157 0.000 0.818 642 A HN 0.574 nan 8.150 nan 0.000 0.445 643 R N -0.153 120.234 120.500 -0.188 0.000 2.081 643 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 643 R C 2.090 178.254 176.300 -0.227 0.000 1.131 643 R CA 1.809 57.806 56.100 -0.172 0.000 0.960 643 R CB -0.223 29.982 30.300 -0.159 0.000 0.856 643 R HN 0.522 nan 8.270 nan 0.000 0.436 644 K N 0.080 120.276 120.400 -0.340 0.000 2.097 644 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 644 K C 2.066 178.529 176.600 -0.228 0.000 1.049 644 K CA 1.398 57.392 56.287 -0.489 0.000 0.933 644 K CB -0.087 32.027 32.500 -0.643 0.000 0.717 644 K HN 0.250 nan 8.250 nan 0.000 0.442 645 I N 1.106 121.553 120.570 -0.205 0.000 2.226 645 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 645 I C 2.121 178.195 176.117 -0.071 0.000 1.100 645 I CA 1.172 62.391 61.300 -0.135 0.000 1.374 645 I CB -0.184 37.704 38.000 -0.187 0.000 1.057 645 I HN 0.117 nan 8.210 nan 0.000 0.413 646 L N 0.157 121.331 121.223 -0.082 0.000 2.093 646 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 646 L C 2.065 178.951 176.870 0.028 0.000 1.085 646 L CA 1.105 55.924 54.840 -0.034 0.000 0.755 646 L CB -0.627 41.403 42.059 -0.049 0.000 0.904 646 L HN 0.252 nan 8.230 nan 0.000 0.435 647 D N 0.215 120.627 120.400 0.021 0.000 2.144 647 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 647 D C 2.239 178.712 176.300 0.289 0.000 0.984 647 D CA 1.444 55.518 54.000 0.123 0.000 0.834 647 D CB -0.009 40.833 40.800 0.070 0.000 0.955 647 D HN 0.307 nan 8.370 nan 0.000 0.465 648 A N 0.521 123.491 122.820 0.248 0.000 1.930 648 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 648 A C 2.364 180.128 177.584 0.300 0.000 1.175 648 A CA 0.816 53.081 52.037 0.380 0.000 0.627 648 A CB -0.658 18.497 19.000 0.258 0.000 0.815 648 A HN 0.192 nan 8.150 nan 0.000 0.443 649 L N -0.839 120.488 121.223 0.173 0.000 2.072 649 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 649 L C 2.734 179.712 176.870 0.179 0.000 1.079 649 L CA 1.412 56.333 54.840 0.135 0.000 0.752 649 L CB -0.437 41.650 42.059 0.048 0.000 0.906 649 L HN 0.447 nan 8.230 nan 0.000 0.436 650 E N 0.076 120.387 120.200 0.185 0.000 2.110 650 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 650 E C 2.110 178.879 176.600 0.282 0.000 0.988 650 E CA 1.470 57.981 56.400 0.185 0.000 0.804 650 E CB -0.197 29.584 29.700 0.135 0.000 0.745 650 E HN 0.504 nan 8.360 nan 0.000 0.458 651 Y N 1.416 121.856 120.300 0.235 0.000 2.128 651 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 651 Y C 2.471 178.544 175.900 0.288 0.000 1.154 651 Y CA 2.395 60.673 58.100 0.297 0.000 1.149 651 Y CB -0.029 38.600 38.460 0.282 0.000 0.976 651 Y HN -0.034 nan 8.280 nan 0.000 0.505 652 R N -1.231 119.531 120.500 0.436 0.000 2.090 652 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 652 R C 2.344 178.707 176.300 0.106 0.000 1.110 652 R CA 1.580 57.831 56.100 0.252 0.000 0.973 652 R CB -0.723 29.716 30.300 0.233 0.000 0.869 652 R HN 0.260 nan 8.270 nan 0.000 0.440 653 T N 0.374 115.008 114.554 0.133 0.000 2.746 653 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 653 T C 1.177 175.925 174.700 0.080 0.000 1.039 653 T CA 1.404 63.555 62.100 0.085 0.000 1.142 653 T CB -0.193 68.731 68.868 0.093 0.000 0.866 653 T HN 0.444 nan 8.240 nan 0.000 0.444 654 W N 1.943 123.197 121.300 -0.076 0.000 2.353 654 W HA -0.028 4.632 4.660 -0.000 0.000 0.319 654 W C 2.360 178.761 176.519 -0.196 0.000 1.207 654 W CA 1.265 58.536 57.345 -0.123 0.000 1.291 654 W CB -0.493 28.879 29.460 -0.147 0.000 1.159 654 W HN 0.057 nan 8.180 nan 0.000 0.478 655 K N 0.197 120.248 120.400 -0.581 0.000 2.147 655 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 655 K C 2.298 178.442 176.600 -0.759 0.000 1.049 655 K CA 1.549 57.219 56.287 -1.028 0.000 0.936 655 K CB -0.586 31.413 32.500 -0.836 0.000 0.722 655 K HN 0.311 nan 8.250 nan 0.000 0.446 656 L N -0.049 120.949 121.223 -0.375 0.000 2.046 656 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 656 L C 2.243 179.005 176.870 -0.179 0.000 1.077 656 L CA 1.699 56.413 54.840 -0.209 0.000 0.747 656 L CB -0.676 41.335 42.059 -0.081 0.000 0.896 656 L HN 0.403 nan 8.230 nan 0.000 0.432 657 G N -0.944 107.742 108.800 -0.189 0.000 2.421 657 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 657 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 657 G C 1.527 176.329 174.900 -0.164 0.000 1.171 657 G CA 0.902 45.924 45.100 -0.131 0.000 0.775 657 G HN 0.279 nan 8.290 nan 0.000 0.543 658 V N 0.447 120.162 119.914 -0.332 0.000 2.295 658 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 658 V C 2.402 178.443 176.094 -0.090 0.000 1.049 658 V CA 2.160 64.292 62.300 -0.280 0.000 1.024 658 V CB -0.915 30.579 31.823 -0.548 0.000 0.648 658 V HN 0.541 nan 8.190 nan 0.000 0.447 659 H N 0.007 118.942 119.070 -0.226 0.000 2.387 659 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 659 H C 2.385 177.659 175.328 -0.090 0.000 1.090 659 H CA 1.346 57.304 56.048 -0.151 0.000 1.332 659 H CB 0.101 29.777 29.762 -0.144 0.000 1.386 659 H HN 0.413 nan 8.280 nan 0.000 0.516 660 K N 0.725 121.151 120.400 0.045 0.000 2.097 660 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 660 K C 1.973 178.584 176.600 0.018 0.000 1.050 660 K CA 1.037 57.336 56.287 0.020 0.000 0.938 660 K CB 0.058 32.559 32.500 0.002 0.000 0.718 660 K HN 0.432 nan 8.250 nan 0.000 0.442 661 E N 0.614 120.820 120.200 0.011 0.000 2.051 661 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 661 E C 2.077 178.710 176.600 0.055 0.000 0.991 661 E CA 1.146 57.558 56.400 0.020 0.000 0.799 661 E CB -0.006 29.700 29.700 0.009 0.000 0.748 661 E HN 0.012 nan 8.360 nan 0.000 0.449 662 V N 1.433 121.390 119.914 0.071 0.000 2.343 662 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 662 V C 2.342 178.529 176.094 0.155 0.000 1.051 662 V CA 1.835 64.221 62.300 0.145 0.000 1.036 662 V CB -0.745 31.105 31.823 0.046 0.000 0.654 662 V HN 0.320 nan 8.190 nan 0.000 0.451 663 A N -0.595 122.259 122.820 0.057 0.000 1.940 663 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 663 A C 2.303 179.924 177.584 0.061 0.000 1.176 663 A CA 2.121 54.182 52.037 0.039 0.000 0.631 663 A CB -0.462 18.540 19.000 0.003 0.000 0.814 663 A HN 0.634 nan 8.150 nan 0.000 0.446 664 E N -0.654 119.576 120.200 0.049 0.000 2.072 664 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 664 E C 2.330 178.947 176.600 0.027 0.000 0.982 664 E CA 0.742 57.160 56.400 0.030 0.000 0.803 664 E CB -0.143 29.566 29.700 0.016 0.000 0.755 664 E HN 0.572 nan 8.360 nan 0.000 0.453 665 R N -0.547 119.977 120.500 0.040 0.000 2.080 665 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 665 R C 1.649 177.884 176.300 -0.108 0.000 1.137 665 R CA 1.745 57.820 56.100 -0.042 0.000 0.943 665 R CB -0.201 30.072 30.300 -0.045 0.000 0.846 665 R HN 0.267 nan 8.270 nan 0.000 0.431 666 Y N 0.682 120.967 120.300 -0.026 0.000 2.490 666 Y HA 0.137 4.687 4.550 -0.000 0.000 0.281 666 Y C -0.207 175.677 175.900 -0.027 0.000 1.174 666 Y CA 0.249 58.332 58.100 -0.027 0.000 1.295 666 Y CB 0.224 38.663 38.460 -0.034 0.000 1.062 666 Y HN 0.163 nan 8.280 nan 0.000 0.522 667 E N 1.074 121.333 120.200 0.098 0.000 2.302 667 E HA -0.179 4.171 4.350 -0.000 0.000 0.186 667 E C -0.045 176.583 176.600 0.047 0.000 1.444 667 E CA 0.680 57.109 56.400 0.049 0.000 0.671 667 E CB -1.660 28.054 29.700 0.023 0.000 1.122 667 E HN 0.461 nan 8.360 nan 0.000 0.366 668 T N -2.203 112.374 114.554 0.038 0.000 2.778 668 T HA 0.552 4.902 4.350 -0.000 0.000 0.293 668 T C -0.026 174.668 174.700 -0.011 0.000 1.144 668 T CA -1.263 60.842 62.100 0.007 0.000 1.010 668 T CB 1.779 70.641 68.868 -0.010 0.000 1.325 668 T HN 0.122 nan 8.240 nan 0.000 0.515 669 K N 0.037 120.421 120.400 -0.028 0.000 2.180 669 K HA 0.453 4.773 4.320 -0.000 0.000 0.251 669 K C -0.223 176.349 176.600 -0.047 0.000 1.014 669 K CA -0.769 55.498 56.287 -0.032 0.000 0.913 669 K CB 0.268 32.745 32.500 -0.038 0.000 1.008 669 K HN 0.463 nan 8.250 nan 0.000 0.490 670 L N 1.852 123.052 121.223 -0.039 0.000 2.410 670 L HA 0.042 4.382 4.340 -0.000 0.000 0.273 670 L C -0.328 176.490 176.870 -0.088 0.000 1.152 670 L CA -0.051 54.761 54.840 -0.046 0.000 0.855 670 L CB 0.428 42.480 42.059 -0.011 0.000 1.129 670 L HN 0.682 nan 8.230 nan 0.000 0.463 671 C N 5.310 124.501 119.300 -0.182 0.000 2.634 671 C HA 0.075 4.535 4.460 -0.000 0.000 0.418 671 C C 1.434 176.336 174.990 -0.147 0.000 1.373 671 C CA -0.404 58.445 59.018 -0.282 0.000 1.756 671 C CB -0.258 27.084 27.740 -0.663 0.000 2.589 671 C HN 0.885 nan 8.230 nan 0.000 0.602 672 Q N 3.521 123.266 119.800 -0.092 0.000 2.319 672 Q HA 0.171 4.511 4.340 -0.000 0.000 0.202 672 Q C 1.075 177.100 176.000 0.043 0.000 0.896 672 Q CA 0.221 56.027 55.803 0.006 0.000 0.942 672 Q CB 0.159 28.894 28.738 -0.004 0.000 1.083 672 Q HN 0.997 nan 8.270 nan 0.000 0.510 673 G N 0.167 108.953 108.800 -0.025 0.000 2.484 673 G HA2 0.043 4.003 3.960 -0.000 0.000 0.235 673 G HA3 0.043 4.003 3.960 -0.000 0.000 0.235 673 G C -0.247 174.788 174.900 0.225 0.000 1.282 673 G CA -0.267 44.824 45.100 -0.015 0.000 0.857 673 G HN 0.135 nan 8.290 nan 0.000 0.571 674 Y N 0.000 120.351 120.300 0.085 0.000 2.660 674 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 674 Y CA 0.000 58.164 58.100 0.107 0.000 1.940 674 Y CB 0.000 38.509 38.460 0.082 0.000 1.050 674 Y HN 0.000 nan 8.280 nan 0.000 0.758