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 3hyv_1_D DATA FIRST_RESID 2 DATA SEQUENCE AKHVVVIGGG VGGIATAYNL RNLMPDLKIT LISDRPYFGF TPAFPHLAMG DATA SEQUENCE WRKFEDISVP LAPLLPKFNI EFINEKAESI DPDANTVTTQ SGKKIEYDYL DATA SEQUENCE VIATGPKLVF GAEGQEENST SICTAEHALE TQKKLQELYA NPGPVVIGAI DATA SEQUENCE PGVSXFGPAY EFALMLHYEL KKRGIRYKVP MTFITSEPYL GHFGVGGIGA DATA SEQUENCE SKRLVEDLFA ERNIDWIANV AVKAIEPDKV IYEDLNGNTH EVPAKFTMFM DATA SEQUENCE PSFQGPEVVA SAGDKVANPA NKMVIVNRcF QNPTYKNIFG VGVVTAIPPI DATA SEQUENCE EKTPIPTGVP KTGMMIEQMA MAVAHNIVND IRNNPDKYAP RLSAICIADF DATA SEQUENCE GEDAGFFFAD PVIPPRERVI TKMGKWAHYF KTAFEKYFLW KVRNGNIAPS DATA SEQUENCE FEEKVLEIFL KVHPIELcKD cEGAPGSRc 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.644 177.584 0.100 0.000 1.274 2 A CA 0.000 52.079 52.037 0.070 0.000 0.836 2 A CB 0.000 19.041 19.000 0.068 0.000 0.831 3 K N 0.832 121.318 120.400 0.143 0.000 2.120 3 K HA 0.334 4.654 4.320 -0.000 0.000 0.245 3 K C -0.441 176.320 176.600 0.268 0.000 1.024 3 K CA -0.065 56.346 56.287 0.206 0.000 0.906 3 K CB 0.278 32.954 32.500 0.293 0.000 1.051 3 K HN 0.804 nan 8.250 nan 0.000 0.491 4 H N -0.296 118.874 119.070 0.167 0.000 2.658 4 H HA 0.353 4.909 4.556 -0.000 0.000 0.337 4 H C -1.472 173.995 175.328 0.231 0.000 1.009 4 H CA -0.754 55.390 56.048 0.160 0.000 1.231 4 H CB 1.645 31.478 29.762 0.119 0.000 1.508 4 H HN 0.191 nan 8.280 nan 0.000 0.517 5 V N 6.903 126.908 119.914 0.151 0.000 2.417 5 V HA 0.335 4.455 4.120 -0.000 0.000 0.291 5 V C -0.990 175.029 176.094 -0.124 0.000 1.024 5 V CA -0.439 61.884 62.300 0.037 0.000 0.861 5 V CB 1.350 33.236 31.823 0.106 0.000 0.985 5 V HN 0.529 nan 8.190 nan 0.000 0.436 6 V N 7.396 127.188 119.914 -0.203 0.000 2.432 6 V HA 0.447 4.567 4.120 -0.000 0.000 0.275 6 V C -0.062 175.983 176.094 -0.082 0.000 1.043 6 V CA -0.303 61.912 62.300 -0.142 0.000 0.925 6 V CB 1.639 33.374 31.823 -0.147 0.000 0.985 6 V HN 0.701 nan 8.190 nan 0.000 0.466 7 V N 6.707 126.612 119.914 -0.015 0.000 2.409 7 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 7 V C -0.181 175.921 176.094 0.013 0.000 1.020 7 V CA -0.434 61.866 62.300 -0.001 0.000 0.848 7 V CB 1.649 33.486 31.823 0.023 0.000 0.990 7 V HN 0.679 nan 8.190 nan 0.000 0.430 8 I N 4.434 125.004 120.570 -0.001 0.000 2.307 8 I HA 0.770 4.940 4.170 -0.000 0.000 0.289 8 I C 0.669 176.800 176.117 0.024 0.000 1.021 8 I CA -0.086 61.220 61.300 0.010 0.000 1.224 8 I CB 1.238 39.233 38.000 -0.009 0.000 1.376 8 I HN 0.848 nan 8.210 nan 0.000 0.470 9 G N 3.443 112.271 108.800 0.047 0.000 3.088 9 G HA2 0.118 4.078 3.960 -0.000 0.000 0.620 9 G HA3 0.118 4.078 3.960 -0.000 0.000 0.620 9 G C -0.128 174.820 174.900 0.080 0.000 1.375 9 G CA -0.604 44.528 45.100 0.052 0.000 1.016 9 G HN 0.914 nan 8.290 nan 0.000 0.590 10 G N 0.505 109.370 108.800 0.109 0.000 3.782 10 G HA2 0.656 4.616 3.960 -0.000 0.000 0.288 10 G HA3 0.656 4.616 3.960 -0.000 0.000 0.288 10 G C 0.776 175.786 174.900 0.184 0.000 1.300 10 G CA 0.873 46.053 45.100 0.134 0.000 1.261 10 G HN 1.214 nan 8.290 nan 0.000 0.591 11 G N -0.737 108.164 108.800 0.168 0.000 2.990 11 G HA2 0.369 4.329 3.960 -0.000 0.000 0.208 11 G HA3 0.369 4.329 3.960 -0.000 0.000 0.208 11 G C 1.100 176.176 174.900 0.294 0.000 1.334 11 G CA 0.054 45.319 45.100 0.276 0.000 1.024 11 G HN 0.026 nan 8.290 nan 0.000 0.574 12 V N 1.002 121.106 119.914 0.318 0.000 2.282 12 V HA -0.125 3.995 4.120 -0.000 0.000 0.249 12 V C 3.076 179.223 176.094 0.088 0.000 1.057 12 V CA 2.705 65.148 62.300 0.239 0.000 1.032 12 V CB -1.169 30.733 31.823 0.132 0.000 0.645 12 V HN 0.788 nan 8.190 nan 0.000 0.447 13 G N -0.327 108.502 108.800 0.048 0.000 2.402 13 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 13 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 13 G C 1.596 176.487 174.900 -0.015 0.000 1.162 13 G CA 0.898 46.003 45.100 0.008 0.000 0.777 13 G HN 0.601 nan 8.290 nan 0.000 0.539 14 G N 0.791 109.587 108.800 -0.006 0.000 2.394 14 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 14 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 14 G C 1.656 176.503 174.900 -0.089 0.000 1.165 14 G CA 0.653 45.740 45.100 -0.021 0.000 0.784 14 G HN 0.295 nan 8.290 nan 0.000 0.535 15 I N 1.821 122.293 120.570 -0.162 0.000 2.252 15 I HA -0.083 4.087 4.170 -0.000 0.000 0.245 15 I C 3.247 179.056 176.117 -0.514 0.000 1.102 15 I CA 1.208 62.245 61.300 -0.438 0.000 1.385 15 I CB -1.221 36.419 38.000 -0.600 0.000 1.064 15 I HN 0.250 nan 8.210 nan 0.000 0.414 16 A N 0.860 123.511 122.820 -0.281 0.000 1.883 16 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 16 A C 2.429 179.941 177.584 -0.120 0.000 1.186 16 A CA 2.595 54.526 52.037 -0.177 0.000 0.624 16 A CB -1.143 17.825 19.000 -0.054 0.000 0.822 16 A HN 0.431 nan 8.150 nan 0.000 0.444 17 T N 0.398 114.892 114.554 -0.099 0.000 2.746 17 T HA -0.009 4.341 4.350 -0.000 0.000 0.267 17 T C 2.183 176.845 174.700 -0.063 0.000 1.039 17 T CA 1.625 63.674 62.100 -0.084 0.000 1.142 17 T CB -0.478 68.346 68.868 -0.072 0.000 0.866 17 T HN 0.596 nan 8.240 nan 0.000 0.444 18 A N 0.518 123.313 122.820 -0.042 0.000 1.930 18 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 18 A C 2.083 179.748 177.584 0.135 0.000 1.175 18 A CA 1.073 53.132 52.037 0.037 0.000 0.627 18 A CB -0.835 18.203 19.000 0.063 0.000 0.815 18 A HN 0.464 nan 8.150 nan 0.000 0.443 19 Y N 0.732 120.956 120.300 -0.126 0.000 2.242 19 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 19 Y C 2.435 178.226 175.900 -0.182 0.000 1.137 19 Y CA 0.676 58.662 58.100 -0.190 0.000 1.181 19 Y CB -0.815 37.484 38.460 -0.268 0.000 0.989 19 Y HN 0.316 nan 8.280 nan 0.000 0.527 20 N N 0.339 119.037 118.700 -0.003 0.000 2.028 20 N HA -0.168 4.572 4.740 -0.000 0.000 0.194 20 N C 2.115 177.545 175.510 -0.133 0.000 1.050 20 N CA 1.250 54.241 53.050 -0.098 0.000 0.848 20 N CB -0.883 37.525 38.487 -0.130 0.000 1.038 20 N HN 0.270 nan 8.380 nan 0.000 0.423 21 L N 0.748 121.899 121.223 -0.120 0.000 2.051 21 L HA -0.241 4.099 4.340 -0.000 0.000 0.214 21 L C 2.585 179.408 176.870 -0.079 0.000 1.076 21 L CA 1.374 56.143 54.840 -0.117 0.000 0.758 21 L CB -0.326 41.682 42.059 -0.085 0.000 0.890 21 L HN 0.169 nan 8.230 nan 0.000 0.433 22 R N 0.784 121.256 120.500 -0.048 0.000 2.062 22 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 22 R C 1.796 178.050 176.300 -0.075 0.000 1.136 22 R CA 2.129 58.203 56.100 -0.042 0.000 0.948 22 R CB -0.682 29.601 30.300 -0.028 0.000 0.845 22 R HN 0.390 nan 8.270 nan 0.000 0.430 23 N N -0.427 118.207 118.700 -0.109 0.000 2.381 23 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 23 N C 1.020 176.473 175.510 -0.095 0.000 1.025 23 N CA 0.789 53.771 53.050 -0.114 0.000 0.888 23 N CB -0.030 38.374 38.487 -0.138 0.000 0.965 23 N HN 0.095 nan 8.380 nan 0.000 0.438 24 L N -0.326 120.828 121.223 -0.114 0.000 2.307 24 L HA 0.257 4.597 4.340 -0.000 0.000 0.211 24 L C 0.342 177.165 176.870 -0.079 0.000 1.099 24 L CA 1.054 55.821 54.840 -0.122 0.000 0.816 24 L CB 0.179 42.106 42.059 -0.220 0.000 0.952 24 L HN 0.152 nan 8.230 nan 0.000 0.455 25 M N -0.921 118.641 119.600 -0.064 0.000 2.167 25 M HA 0.246 4.726 4.480 -0.000 0.000 0.218 25 M C -2.094 174.194 176.300 -0.019 0.000 0.968 25 M CA -1.202 54.078 55.300 -0.035 0.000 1.004 25 M CB 1.443 34.024 32.600 -0.033 0.000 2.485 25 M HN -0.194 nan 8.290 nan 0.000 0.404 26 P HA -0.087 nan 4.420 nan 0.000 0.221 26 P C 0.253 177.557 177.300 0.007 0.000 1.145 26 P CA 1.214 64.310 63.100 -0.007 0.000 0.795 26 P CB 0.222 31.916 31.700 -0.009 0.000 0.775 27 D N -1.402 119.005 120.400 0.012 0.000 2.323 27 D HA 0.028 4.667 4.640 -0.000 0.000 0.209 27 D C 0.855 177.176 176.300 0.035 0.000 0.973 27 D CA 0.180 54.194 54.000 0.022 0.000 0.874 27 D CB -0.320 40.494 40.800 0.023 0.000 0.930 27 D HN 0.159 nan 8.370 nan 0.000 0.521 28 L N 1.054 122.300 121.223 0.038 0.000 2.485 28 L HA 0.023 4.363 4.340 -0.000 0.000 0.275 28 L C 0.347 177.265 176.870 0.080 0.000 1.207 28 L CA 0.194 55.072 54.840 0.063 0.000 0.855 28 L CB 0.539 42.628 42.059 0.048 0.000 1.114 28 L HN -0.264 nan 8.230 nan 0.000 0.485 29 K N 5.324 125.795 120.400 0.119 0.000 2.248 29 K HA 0.496 4.816 4.320 -0.000 0.000 0.281 29 K C -0.981 175.765 176.600 0.243 0.000 1.054 29 K CA -0.055 56.312 56.287 0.134 0.000 0.903 29 K CB 1.021 33.562 32.500 0.068 0.000 1.077 29 K HN 0.410 nan 8.250 nan 0.000 0.474 30 I N 2.090 122.775 120.570 0.192 0.000 2.447 30 I HA 0.167 4.337 4.170 -0.000 0.000 0.287 30 I C -0.333 175.907 176.117 0.205 0.000 1.023 30 I CA -0.586 60.830 61.300 0.193 0.000 1.083 30 I CB 2.217 40.295 38.000 0.131 0.000 1.245 30 I HN 0.456 nan 8.210 nan 0.000 0.434 31 T N 7.401 122.095 114.554 0.234 0.000 2.812 31 T HA 0.582 4.932 4.350 -0.000 0.000 0.282 31 T C -1.124 173.666 174.700 0.150 0.000 0.990 31 T CA -0.419 61.807 62.100 0.210 0.000 0.960 31 T CB 0.990 70.031 68.868 0.288 0.000 0.948 31 T HN 0.440 nan 8.240 nan 0.000 0.438 32 L N 6.663 127.991 121.223 0.174 0.000 2.313 32 L HA 0.715 5.055 4.340 -0.000 0.000 0.283 32 L C -1.146 175.815 176.870 0.152 0.000 1.013 32 L CA -0.803 54.144 54.840 0.179 0.000 0.816 32 L CB 0.876 43.079 42.059 0.239 0.000 1.236 32 L HN 0.664 nan 8.230 nan 0.000 0.419 33 I N 4.288 124.903 120.570 0.075 0.000 2.378 33 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 33 I C -0.204 175.933 176.117 0.032 0.000 0.992 33 I CA -0.140 61.151 61.300 -0.013 0.000 1.154 33 I CB 1.810 39.795 38.000 -0.024 0.000 1.315 33 I HN 0.510 nan 8.210 nan 0.000 0.448 34 S N 3.213 118.915 115.700 0.003 0.000 2.546 34 S HA 0.220 4.690 4.470 -0.000 0.000 0.272 34 S C 0.331 174.940 174.600 0.014 0.000 1.140 34 S CA -0.758 57.489 58.200 0.080 0.000 0.920 34 S CB 1.216 64.575 63.200 0.264 0.000 1.083 34 S HN 0.756 nan 8.310 nan 0.000 0.476 35 D N 3.277 123.680 120.400 0.006 0.000 2.219 35 D HA -0.067 4.573 4.640 -0.000 0.000 0.205 35 D C 0.387 176.690 176.300 0.005 0.000 0.970 35 D CA 0.907 54.902 54.000 -0.008 0.000 0.851 35 D CB -0.012 40.781 40.800 -0.010 0.000 0.943 35 D HN 0.382 nan 8.370 nan 0.000 0.488 36 R N 0.720 121.213 120.500 -0.011 0.000 2.368 36 R HA 0.294 4.634 4.340 -0.000 0.000 0.302 36 R C -1.725 174.604 176.300 0.048 0.000 1.002 36 R CA -1.617 54.429 56.100 -0.089 0.000 0.929 36 R CB 1.363 31.412 30.300 -0.419 0.000 1.073 36 R HN 0.029 nan 8.270 nan 0.000 0.464 37 P HA -0.061 nan 4.420 nan 0.000 0.245 37 P C -0.973 176.478 177.300 0.252 0.000 1.212 37 P CA 0.831 64.111 63.100 0.300 0.000 0.774 37 P CB 0.069 31.947 31.700 0.296 0.000 0.999 38 Y N -2.380 118.030 120.300 0.183 0.000 2.545 38 Y HA 0.651 5.201 4.550 -0.000 0.000 0.348 38 Y C -0.843 175.160 175.900 0.171 0.000 1.002 38 Y CA -2.728 55.461 58.100 0.147 0.000 1.039 38 Y CB 0.474 39.039 38.460 0.174 0.000 1.271 38 Y HN -0.268 nan 8.280 nan 0.000 0.467 39 F N 2.566 122.630 119.950 0.190 0.000 2.420 39 F HA 0.742 5.269 4.527 -0.000 0.000 0.352 39 F C 0.208 176.238 175.800 0.383 0.000 1.108 39 F CA -0.550 57.556 58.000 0.175 0.000 1.162 39 F CB 0.826 39.880 39.000 0.091 0.000 1.118 39 F HN 0.841 nan 8.300 nan 0.000 0.510 40 G N 5.866 114.403 108.800 -0.439 0.000 2.368 40 G HA2 0.328 4.288 3.960 -0.000 0.000 0.320 40 G HA3 0.328 4.288 3.960 -0.000 0.000 0.320 40 G C -1.605 172.809 174.900 -0.810 0.000 1.158 40 G CA -0.604 44.375 45.100 -0.201 0.000 0.912 40 G HN 0.672 nan 8.290 nan 0.000 0.456 41 F N 3.994 123.572 119.950 -0.619 0.000 2.541 41 F HA 0.219 4.746 4.527 -0.000 0.000 0.347 41 F C 1.862 177.255 175.800 -0.678 0.000 1.242 41 F CA -0.482 57.232 58.000 -0.476 0.000 1.123 41 F CB 0.030 38.990 39.000 -0.067 0.000 1.354 41 F HN 0.477 nan 8.300 nan 0.000 0.621 42 T N 4.856 118.654 114.554 -1.260 0.000 2.653 42 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 42 T C -0.632 173.437 174.700 -1.051 0.000 1.035 42 T CA 1.612 62.752 62.100 -1.601 0.000 1.154 42 T CB -1.124 67.211 68.868 -0.889 0.000 0.862 42 T HN 0.378 nan 8.240 nan 0.000 0.441 43 P HA 0.075 nan 4.420 nan 0.000 0.226 43 P C 0.871 178.078 177.300 -0.155 0.000 1.146 43 P CA 0.945 63.723 63.100 -0.537 0.000 0.773 43 P CB -0.195 31.114 31.700 -0.653 0.000 0.772 44 A N -2.571 120.173 122.820 -0.127 0.000 2.387 44 A HA 0.132 4.452 4.320 -0.000 0.000 0.234 44 A C 1.303 179.173 177.584 0.477 0.000 1.253 44 A CA -0.173 52.013 52.037 0.247 0.000 0.894 44 A CB -0.989 18.168 19.000 0.261 0.000 0.963 44 A HN -0.041 nan 8.150 nan 0.000 0.508 45 F N 1.009 121.060 119.950 0.167 0.000 2.171 45 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 45 F C -0.474 175.433 175.800 0.178 0.000 1.090 45 F CA 0.884 58.977 58.000 0.155 0.000 1.293 45 F CB -1.974 37.081 39.000 0.092 0.000 1.013 45 F HN 0.204 nan 8.300 nan 0.000 0.486 46 P HA -0.132 nan 4.420 nan 0.000 0.216 46 P C 1.193 178.570 177.300 0.128 0.000 1.153 46 P CA 1.787 65.037 63.100 0.250 0.000 0.848 46 P CB -0.189 31.610 31.700 0.165 0.000 0.787 47 H N -1.184 117.995 119.070 0.180 0.000 2.353 47 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 47 H C 2.064 177.475 175.328 0.138 0.000 1.090 47 H CA 0.902 57.041 56.048 0.153 0.000 1.327 47 H CB -1.195 28.757 29.762 0.317 0.000 1.383 47 H HN 0.006 nan 8.280 nan 0.000 0.508 48 L N 0.173 121.599 121.223 0.339 0.000 2.012 48 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 48 L C 2.434 179.401 176.870 0.162 0.000 1.073 48 L CA 1.417 56.408 54.840 0.251 0.000 0.748 48 L CB -0.571 41.641 42.059 0.255 0.000 0.891 48 L HN 0.424 nan 8.230 nan 0.000 0.431 49 A N -0.817 122.099 122.820 0.160 0.000 1.972 49 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 49 A C 2.030 179.688 177.584 0.124 0.000 1.169 49 A CA 1.527 53.663 52.037 0.164 0.000 0.635 49 A CB -0.315 18.820 19.000 0.226 0.000 0.810 49 A HN 0.449 nan 8.150 nan 0.000 0.446 50 M N -1.581 117.975 119.600 -0.073 0.000 2.595 50 M HA 0.122 4.602 4.480 -0.000 0.000 0.248 50 M C 1.467 177.610 176.300 -0.261 0.000 1.119 50 M CA 0.931 55.992 55.300 -0.399 0.000 1.079 50 M CB -0.913 30.934 32.600 -1.255 0.000 1.472 50 M HN 0.788 nan 8.290 nan 0.000 0.501 51 G N -0.617 108.174 108.800 -0.015 0.000 2.137 51 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.237 51 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.237 51 G C 0.137 175.263 174.900 0.376 0.000 1.002 51 G CA 0.088 45.291 45.100 0.172 0.000 0.702 51 G HN 0.523 nan 8.290 nan 0.000 0.515 52 W N 0.020 121.438 121.300 0.198 0.000 3.278 52 W HA 0.474 5.134 4.660 -0.000 0.000 0.308 52 W C 1.006 177.641 176.519 0.194 0.000 1.253 52 W CA -0.499 56.965 57.345 0.199 0.000 1.759 52 W CB -0.000 29.604 29.460 0.239 0.000 1.093 52 W HN 0.114 nan 8.180 nan 0.000 0.648 53 R N 0.417 121.147 120.500 0.383 0.000 2.837 53 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 53 R C -0.189 176.244 176.300 0.222 0.000 0.993 53 R CA -1.002 55.263 56.100 0.274 0.000 0.931 53 R CB 1.764 32.227 30.300 0.271 0.000 1.206 53 R HN -0.105 nan 8.270 nan 0.000 0.474 54 K N 0.903 121.409 120.400 0.176 0.000 2.110 54 K HA 0.231 4.551 4.320 -0.000 0.000 0.263 54 K C 0.902 177.604 176.600 0.170 0.000 0.975 54 K CA -0.383 56.003 56.287 0.165 0.000 0.895 54 K CB 1.093 33.670 32.500 0.129 0.000 1.060 54 K HN 0.406 nan 8.250 nan 0.000 0.448 55 F N 2.413 122.387 119.950 0.040 0.000 2.154 55 F HA -0.225 4.301 4.527 -0.000 0.000 0.301 55 F C 1.445 177.241 175.800 -0.006 0.000 1.087 55 F CA 1.810 59.809 58.000 -0.002 0.000 1.274 55 F CB 0.263 39.219 39.000 -0.074 0.000 1.009 55 F HN 0.640 nan 8.300 nan 0.000 0.485 56 E N 0.181 120.383 120.200 0.003 0.000 2.338 56 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 56 E C 1.560 178.111 176.600 -0.081 0.000 1.007 56 E CA 1.177 57.535 56.400 -0.070 0.000 0.849 56 E CB -0.332 29.397 29.700 0.048 0.000 0.774 56 E HN 0.467 nan 8.360 nan 0.000 0.506 57 D N -0.313 120.064 120.400 -0.037 0.000 2.289 57 D HA 0.001 4.641 4.640 -0.000 0.000 0.207 57 D C 1.417 177.706 176.300 -0.018 0.000 0.966 57 D CA 0.619 54.617 54.000 -0.005 0.000 0.868 57 D CB 0.280 41.106 40.800 0.044 0.000 0.943 57 D HN 0.396 nan 8.370 nan 0.000 0.514 58 I N -2.013 118.521 120.570 -0.061 0.000 3.936 58 I HA 0.254 4.424 4.170 -0.000 0.000 0.330 58 I C -0.204 175.876 176.117 -0.061 0.000 1.509 58 I CA -0.445 60.863 61.300 0.014 0.000 1.126 58 I CB 0.476 38.568 38.000 0.153 0.000 1.115 58 I HN -0.252 nan 8.210 nan 0.000 0.424 59 S N 0.139 115.714 115.700 -0.208 0.000 2.569 59 S HA 0.842 5.312 4.470 -0.000 0.000 0.280 59 S C -0.717 173.879 174.600 -0.006 0.000 1.111 59 S CA -0.648 57.431 58.200 -0.202 0.000 0.887 59 S CB 2.492 65.225 63.200 -0.780 0.000 1.095 59 S HN 0.022 nan 8.310 nan 0.000 0.476 60 V N 1.804 121.825 119.914 0.178 0.000 2.525 60 V HA 0.501 4.620 4.120 -0.000 0.000 0.299 60 V C -2.804 173.396 176.094 0.176 0.000 1.034 60 V CA -2.048 60.349 62.300 0.162 0.000 0.863 60 V CB 1.514 33.444 31.823 0.179 0.000 0.999 60 V HN 0.784 nan 8.190 nan 0.000 0.423 61 P HA 0.276 nan 4.420 nan 0.000 0.271 61 P C 0.553 177.851 177.300 -0.003 0.000 1.226 61 P CA 0.098 63.258 63.100 0.100 0.000 0.765 61 P CB 0.808 32.556 31.700 0.080 0.000 0.835 62 L N 2.742 123.898 121.223 -0.112 0.000 2.253 62 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 62 L C 2.366 178.996 176.870 -0.400 0.000 1.078 62 L CA 1.031 55.644 54.840 -0.379 0.000 0.805 62 L CB -0.781 40.783 42.059 -0.825 0.000 0.963 62 L HN 0.346 nan 8.230 nan 0.000 0.459 63 A N 1.267 123.967 122.820 -0.200 0.000 1.917 63 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 63 A C -0.254 177.333 177.584 0.004 0.000 1.182 63 A CA 1.914 53.988 52.037 0.062 0.000 0.633 63 A CB -1.767 17.364 19.000 0.218 0.000 0.819 63 A HN 0.341 nan 8.150 nan 0.000 0.448 64 P HA 0.130 nan 4.420 nan 0.000 0.255 64 P C 1.022 178.244 177.300 -0.130 0.000 1.248 64 P CA 0.156 63.221 63.100 -0.058 0.000 0.807 64 P CB 0.295 31.973 31.700 -0.036 0.000 1.150 65 L N -0.583 120.545 121.223 -0.159 0.000 2.265 65 L HA 0.179 4.519 4.340 -0.000 0.000 0.195 65 L C 2.203 178.847 176.870 -0.377 0.000 1.083 65 L CA 1.274 55.969 54.840 -0.241 0.000 0.798 65 L CB -1.224 40.760 42.059 -0.125 0.000 0.989 65 L HN -0.252 nan 8.230 nan 0.000 0.472 66 L N 0.299 121.399 121.223 -0.204 0.000 2.079 66 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 66 L C -0.419 176.363 176.870 -0.146 0.000 1.081 66 L CA 1.196 55.980 54.840 -0.093 0.000 0.752 66 L CB -1.758 40.314 42.059 0.022 0.000 0.896 66 L HN 0.272 nan 8.230 nan 0.000 0.433 67 P HA -0.183 nan 4.420 nan 0.000 0.219 67 P C 1.219 178.381 177.300 -0.230 0.000 1.146 67 P CA 1.295 64.322 63.100 -0.122 0.000 0.808 67 P CB -0.005 31.646 31.700 -0.081 0.000 0.779 68 K N -1.581 118.542 120.400 -0.461 0.000 2.362 68 K HA -0.042 4.278 4.320 -0.000 0.000 0.200 68 K C 0.471 176.758 176.600 -0.522 0.000 1.046 68 K CA 0.976 56.924 56.287 -0.564 0.000 0.952 68 K CB -0.260 31.791 32.500 -0.748 0.000 0.753 68 K HN 0.223 nan 8.250 nan 0.000 0.466 69 F N 0.267 120.146 119.950 -0.119 0.000 2.668 69 F HA 0.252 4.779 4.527 -0.000 0.000 0.301 69 F C -0.262 175.489 175.800 -0.082 0.000 1.106 69 F CA -0.867 57.044 58.000 -0.148 0.000 1.289 69 F CB -0.859 37.979 39.000 -0.269 0.000 1.006 69 F HN -0.004 nan 8.300 nan 0.000 0.535 70 N N 0.624 119.339 118.700 0.026 0.000 2.776 70 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 70 N C -0.584 174.965 175.510 0.066 0.000 1.111 70 N CA 0.142 53.211 53.050 0.031 0.000 0.711 70 N CB -1.287 37.218 38.487 0.031 0.000 1.065 70 N HN 0.267 nan 8.380 nan 0.000 0.556 71 I N 0.949 121.572 120.570 0.088 0.000 2.377 71 I HA 0.147 4.317 4.170 -0.000 0.000 0.293 71 I C 0.609 176.804 176.117 0.131 0.000 0.987 71 I CA -0.523 60.855 61.300 0.130 0.000 1.185 71 I CB 1.499 39.614 38.000 0.192 0.000 1.341 71 I HN 0.095 nan 8.210 nan 0.000 0.455 72 E N 6.514 126.798 120.200 0.141 0.000 2.259 72 E HA 0.195 4.545 4.350 -0.000 0.000 0.281 72 E C -1.529 175.206 176.600 0.225 0.000 1.037 72 E CA -0.387 56.101 56.400 0.146 0.000 0.854 72 E CB 0.902 30.666 29.700 0.106 0.000 1.051 72 E HN 0.486 nan 8.360 nan 0.000 0.409 73 F N 6.329 126.306 119.950 0.045 0.000 2.402 73 F HA 0.417 4.944 4.527 -0.000 0.000 0.355 73 F C -0.865 174.958 175.800 0.040 0.000 1.123 73 F CA -0.891 57.137 58.000 0.046 0.000 1.021 73 F CB 0.661 39.686 39.000 0.042 0.000 1.160 73 F HN 0.395 nan 8.300 nan 0.000 0.451 74 I N 5.694 125.964 120.570 -0.501 0.000 2.337 74 I HA 0.137 4.307 4.170 -0.000 0.000 0.285 74 I C -0.218 175.416 176.117 -0.806 0.000 1.041 74 I CA -0.621 60.387 61.300 -0.486 0.000 1.199 74 I CB 0.830 38.712 38.000 -0.197 0.000 1.370 74 I HN 0.523 nan 8.210 nan 0.000 0.470 75 N N 6.959 125.158 118.700 -0.835 0.000 2.819 75 N HA 0.142 4.882 4.740 -0.000 0.000 0.284 75 N C -0.745 174.620 175.510 -0.241 0.000 1.196 75 N CA 0.400 53.099 53.050 -0.586 0.000 1.114 75 N CB 0.103 38.422 38.487 -0.280 0.000 1.437 75 N HN 0.572 nan 8.380 nan 0.000 0.518 76 E N 0.187 120.266 120.200 -0.201 0.000 2.412 76 E HA 0.186 4.536 4.350 -0.000 0.000 0.279 76 E C -1.127 175.433 176.600 -0.067 0.000 0.984 76 E CA -0.921 55.418 56.400 -0.102 0.000 0.788 76 E CB 1.936 31.583 29.700 -0.089 0.000 1.277 76 E HN 0.161 nan 8.360 nan 0.000 0.455 77 K N 1.033 121.410 120.400 -0.039 0.000 2.249 77 K HA 0.460 4.780 4.320 -0.000 0.000 0.280 77 K C -0.867 175.721 176.600 -0.020 0.000 1.033 77 K CA -0.142 56.131 56.287 -0.023 0.000 0.946 77 K CB 0.963 33.455 32.500 -0.013 0.000 1.005 77 K HN 0.547 nan 8.250 nan 0.000 0.469 78 A N 3.500 126.312 122.820 -0.014 0.000 2.328 78 A HA 0.108 4.428 4.320 -0.000 0.000 0.284 78 A C 0.727 178.309 177.584 -0.004 0.000 1.160 78 A CA -0.342 51.691 52.037 -0.008 0.000 0.818 78 A CB 0.769 19.766 19.000 -0.005 0.000 1.087 78 A HN 1.032 nan 8.150 nan 0.000 0.504 79 E N 1.397 121.596 120.200 -0.001 0.000 2.201 79 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 79 E C 0.257 176.858 176.600 0.001 0.000 0.957 79 E CA 1.094 57.494 56.400 -0.000 0.000 0.858 79 E CB 0.236 29.936 29.700 -0.001 0.000 0.816 79 E HN 0.814 nan 8.360 nan 0.000 0.475 80 S N -0.643 115.059 115.700 0.004 0.000 2.565 80 S HA 0.526 4.996 4.470 -0.000 0.000 0.269 80 S C -0.883 173.723 174.600 0.010 0.000 1.153 80 S CA -0.981 57.221 58.200 0.003 0.000 0.835 80 S CB 1.284 64.484 63.200 0.001 0.000 1.122 80 S HN 0.119 nan 8.310 nan 0.000 0.462 81 I N 1.583 122.155 120.570 0.004 0.000 2.436 81 I HA 0.423 4.592 4.170 -0.000 0.000 0.289 81 I C -1.261 174.848 176.117 -0.013 0.000 1.010 81 I CA -0.385 60.924 61.300 0.015 0.000 1.098 81 I CB 1.919 39.922 38.000 0.004 0.000 1.266 81 I HN 0.672 nan 8.210 nan 0.000 0.434 82 D N 8.705 129.098 120.400 -0.012 0.000 2.454 82 D HA 0.297 4.937 4.640 -0.000 0.000 0.225 82 D C -1.762 174.473 176.300 -0.108 0.000 1.081 82 D CA -2.298 51.666 54.000 -0.060 0.000 0.864 82 D CB 1.630 42.399 40.800 -0.051 0.000 1.040 82 D HN 0.179 nan 8.370 nan 0.000 0.517 83 P HA 0.009 nan 4.420 nan 0.000 0.231 83 P C 0.594 177.673 177.300 -0.368 0.000 1.168 83 P CA 0.461 63.309 63.100 -0.421 0.000 0.779 83 P CB 0.739 31.838 31.700 -1.002 0.000 0.844 84 D N 0.476 120.763 120.400 -0.189 0.000 2.149 84 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 84 D C 1.749 178.020 176.300 -0.049 0.000 0.972 84 D CA 1.320 55.315 54.000 -0.008 0.000 0.835 84 D CB 0.013 40.834 40.800 0.034 0.000 0.966 84 D HN 0.172 nan 8.370 nan 0.000 0.476 85 A N 0.523 123.283 122.820 -0.100 0.000 2.238 85 A HA 0.012 4.332 4.320 -0.000 0.000 0.210 85 A C 0.293 177.736 177.584 -0.235 0.000 1.179 85 A CA -0.046 51.917 52.037 -0.123 0.000 0.827 85 A CB 0.123 19.066 19.000 -0.095 0.000 0.856 85 A HN 0.070 nan 8.150 nan 0.000 0.488 86 N N 0.378 118.878 118.700 -0.333 0.000 2.746 86 N HA -0.109 4.631 4.740 -0.000 0.000 0.250 86 N C -0.735 174.232 175.510 -0.904 0.000 1.055 86 N CA 1.516 54.069 53.050 -0.827 0.000 0.699 86 N CB -1.957 36.002 38.487 -0.880 0.000 0.919 86 N HN 0.432 nan 8.380 nan 0.000 0.548 87 T N -0.479 113.886 114.554 -0.315 0.000 2.841 87 T HA 0.612 4.962 4.350 -0.000 0.000 0.283 87 T C 0.242 175.016 174.700 0.123 0.000 1.000 87 T CA -0.549 61.500 62.100 -0.085 0.000 0.977 87 T CB 2.705 71.531 68.868 -0.070 0.000 0.979 87 T HN -0.061 nan 8.240 nan 0.000 0.446 88 V N 3.004 123.014 119.914 0.161 0.000 2.459 88 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 88 V C 0.057 176.185 176.094 0.057 0.000 1.029 88 V CA -0.659 61.709 62.300 0.114 0.000 0.874 88 V CB 1.902 33.792 31.823 0.112 0.000 0.985 88 V HN 1.006 nan 8.190 nan 0.000 0.438 89 T N 3.066 117.639 114.554 0.032 0.000 2.786 89 T HA 0.447 4.797 4.350 -0.000 0.000 0.283 89 T C 0.292 174.997 174.700 0.008 0.000 0.992 89 T CA -0.426 61.683 62.100 0.016 0.000 0.954 89 T CB 1.327 70.199 68.868 0.008 0.000 0.934 89 T HN 0.930 nan 8.240 nan 0.000 0.440 90 T N 0.987 115.543 114.554 0.003 0.000 2.788 90 T HA 0.178 4.528 4.350 -0.000 0.000 0.287 90 T C 1.360 176.056 174.700 -0.007 0.000 1.007 90 T CA -0.524 61.572 62.100 -0.007 0.000 1.005 90 T CB 0.811 69.668 68.868 -0.017 0.000 1.012 90 T HN 0.576 nan 8.240 nan 0.000 0.530 91 Q N 0.120 119.913 119.800 -0.011 0.000 2.234 91 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 91 Q C 2.228 178.223 176.000 -0.008 0.000 0.980 91 Q CA 1.651 57.449 55.803 -0.008 0.000 0.869 91 Q CB -0.289 28.443 28.738 -0.009 0.000 0.912 91 Q HN 0.921 nan 8.270 nan 0.000 0.436 92 S N -2.325 113.369 115.700 -0.011 0.000 2.496 92 S HA 0.155 4.625 4.470 -0.000 0.000 0.224 92 S C 1.281 175.877 174.600 -0.007 0.000 0.996 92 S CA 0.562 58.756 58.200 -0.010 0.000 0.927 92 S CB 0.745 63.937 63.200 -0.013 0.000 0.774 92 S HN 0.536 nan 8.310 nan 0.000 0.524 93 G N 0.836 109.632 108.800 -0.006 0.000 2.159 93 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.170 93 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.170 93 G C -0.159 174.740 174.900 -0.002 0.000 1.007 93 G CA -0.122 44.976 45.100 -0.004 0.000 0.672 93 G HN 0.643 nan 8.290 nan 0.000 0.507 94 K N 1.184 121.583 120.400 -0.002 0.000 2.339 94 K HA 0.427 4.747 4.320 -0.000 0.000 0.286 94 K C 0.068 176.673 176.600 0.009 0.000 1.050 94 K CA -0.227 56.061 56.287 0.001 0.000 0.956 94 K CB 0.254 32.753 32.500 -0.002 0.000 0.990 94 K HN 0.121 nan 8.250 nan 0.000 0.475 95 K N 5.095 125.502 120.400 0.011 0.000 2.240 95 K HA 0.313 4.632 4.320 -0.000 0.000 0.271 95 K C -0.696 175.923 176.600 0.031 0.000 1.018 95 K CA -0.522 55.774 56.287 0.016 0.000 0.874 95 K CB 0.993 33.495 32.500 0.003 0.000 1.098 95 K HN 0.484 nan 8.250 nan 0.000 0.458 96 I N 3.124 123.726 120.570 0.053 0.000 2.382 96 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 96 I C -0.054 176.123 176.117 0.100 0.000 1.002 96 I CA -0.501 60.856 61.300 0.095 0.000 1.135 96 I CB 1.613 39.684 38.000 0.118 0.000 1.288 96 I HN 0.444 nan 8.210 nan 0.000 0.448 97 E N 5.915 126.165 120.200 0.082 0.000 2.319 97 E HA 0.459 4.809 4.350 -0.000 0.000 0.268 97 E C -1.374 175.270 176.600 0.072 0.000 1.050 97 E CA -0.524 55.867 56.400 -0.015 0.000 0.878 97 E CB 1.290 30.967 29.700 -0.038 0.000 1.066 97 E HN 0.525 nan 8.360 nan 0.000 0.406 98 Y N -1.363 118.921 120.300 -0.027 0.000 2.553 98 Y HA 0.408 4.958 4.550 -0.000 0.000 0.347 98 Y C -0.125 175.721 175.900 -0.091 0.000 1.019 98 Y CA -1.051 56.978 58.100 -0.117 0.000 1.032 98 Y CB 1.134 39.490 38.460 -0.174 0.000 1.284 98 Y HN 0.275 nan 8.280 nan 0.000 0.466 99 D N 0.564 121.035 120.400 0.118 0.000 2.216 99 D HA 0.033 4.673 4.640 -0.000 0.000 0.208 99 D C -0.692 175.430 176.300 -0.297 0.000 0.960 99 D CA 1.542 55.464 54.000 -0.132 0.000 0.861 99 D CB 0.227 40.935 40.800 -0.154 0.000 0.985 99 D HN 0.502 nan 8.370 nan 0.000 0.493 100 Y N -0.386 120.089 120.300 0.292 0.000 2.492 100 Y HA 0.459 5.009 4.550 -0.000 0.000 0.346 100 Y C -0.604 175.232 175.900 -0.107 0.000 0.997 100 Y CA -1.147 57.070 58.100 0.195 0.000 1.025 100 Y CB 1.977 40.542 38.460 0.174 0.000 1.263 100 Y HN -0.280 nan 8.280 nan 0.000 0.454 101 L N 2.853 124.001 121.223 -0.126 0.000 2.346 101 L HA 0.847 5.187 4.340 -0.000 0.000 0.276 101 L C -1.462 175.388 176.870 -0.033 0.000 1.006 101 L CA -0.735 53.855 54.840 -0.417 0.000 0.817 101 L CB 1.773 43.287 42.059 -0.908 0.000 1.272 101 L HN 0.466 nan 8.230 nan 0.000 0.421 102 V N 6.584 126.473 119.914 -0.043 0.000 2.349 102 V HA 0.423 4.543 4.120 -0.000 0.000 0.284 102 V C -0.059 176.039 176.094 0.008 0.000 1.014 102 V CA -0.408 61.919 62.300 0.045 0.000 0.826 102 V CB 1.345 33.186 31.823 0.030 0.000 1.009 102 V HN 0.577 nan 8.190 nan 0.000 0.431 103 I N 4.307 124.895 120.570 0.031 0.000 2.301 103 I HA 0.590 4.760 4.170 -0.000 0.000 0.292 103 I C 0.652 176.792 176.117 0.038 0.000 1.046 103 I CA 0.005 61.315 61.300 0.017 0.000 1.282 103 I CB 1.266 39.272 38.000 0.011 0.000 1.409 103 I HN 0.666 nan 8.210 nan 0.000 0.484 104 A N 3.768 126.601 122.820 0.023 0.000 3.308 104 A HA 0.302 4.622 4.320 -0.000 0.000 0.275 104 A C 0.836 178.426 177.584 0.011 0.000 0.950 104 A CA -0.395 51.656 52.037 0.023 0.000 0.987 104 A CB -0.276 18.738 19.000 0.022 0.000 1.146 104 A HN 0.739 nan 8.150 nan 0.000 0.488 105 T N -2.841 111.713 114.554 0.001 0.000 3.100 105 T HA 0.452 4.802 4.350 -0.000 0.000 0.253 105 T C 1.290 175.968 174.700 -0.037 0.000 1.118 105 T CA 0.946 63.040 62.100 -0.011 0.000 1.058 105 T CB -0.150 68.711 68.868 -0.011 0.000 0.953 105 T HN 2.087 nan 8.240 nan 0.000 0.515 106 G N 2.328 111.096 108.800 -0.054 0.000 2.645 106 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.239 106 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.239 106 G C -2.881 171.907 174.900 -0.186 0.000 1.331 106 G CA -0.665 44.364 45.100 -0.118 0.000 0.890 106 G HN 0.508 nan 8.290 nan 0.000 0.572 107 P HA 0.470 nan 4.420 nan 0.000 0.276 107 P C -0.575 176.574 177.300 -0.250 0.000 1.230 107 P CA -0.106 62.676 63.100 -0.530 0.000 0.776 107 P CB 1.262 32.218 31.700 -1.239 0.000 0.888 108 K N 3.930 124.256 120.400 -0.123 0.000 2.234 108 K HA 0.339 4.659 4.320 -0.000 0.000 0.277 108 K C -0.820 175.787 176.600 0.012 0.000 1.038 108 K CA -0.251 56.017 56.287 -0.033 0.000 0.888 108 K CB -0.125 32.374 32.500 -0.001 0.000 1.091 108 K HN 0.361 nan 8.250 nan 0.000 0.467 109 L N 4.650 125.872 121.223 -0.002 0.000 2.319 109 L HA 0.365 4.705 4.340 -0.000 0.000 0.280 109 L C -0.567 176.199 176.870 -0.173 0.000 1.099 109 L CA -1.066 53.723 54.840 -0.086 0.000 0.828 109 L CB 1.246 43.191 42.059 -0.190 0.000 1.150 109 L HN 0.332 nan 8.230 nan 0.000 0.442 110 V N 4.154 123.922 119.914 -0.243 0.000 2.350 110 V HA 0.245 4.364 4.120 -0.000 0.000 0.285 110 V C -0.269 175.639 176.094 -0.310 0.000 1.014 110 V CA -0.327 61.864 62.300 -0.180 0.000 0.831 110 V CB 1.038 32.817 31.823 -0.073 0.000 1.000 110 V HN 0.418 nan 8.190 nan 0.000 0.433 111 F N 3.376 123.311 119.950 -0.026 0.000 2.605 111 F HA 0.343 4.870 4.527 -0.000 0.000 0.352 111 F C 1.685 177.447 175.800 -0.063 0.000 1.236 111 F CA -0.309 57.657 58.000 -0.056 0.000 1.267 111 F CB 0.429 39.393 39.000 -0.060 0.000 1.632 111 F HN 0.588 nan 8.300 nan 0.000 0.639 112 G N 1.177 109.988 108.800 0.018 0.000 2.598 112 G HA2 0.140 4.100 3.960 -0.000 0.000 0.215 112 G HA3 0.140 4.100 3.960 -0.000 0.000 0.215 112 G C 0.775 175.662 174.900 -0.022 0.000 1.131 112 G CA 0.369 45.465 45.100 -0.008 0.000 0.785 112 G HN 0.594 nan 8.290 nan 0.000 0.539 113 A N 0.015 122.813 122.820 -0.036 0.000 2.316 113 A HA 0.568 4.888 4.320 -0.000 0.000 0.284 113 A C 0.060 177.609 177.584 -0.058 0.000 1.115 113 A CA -0.524 51.466 52.037 -0.077 0.000 0.812 113 A CB 0.615 19.515 19.000 -0.166 0.000 1.064 113 A HN 0.273 nan 8.150 nan 0.000 0.489 114 E N 0.624 120.784 120.200 -0.067 0.000 2.299 114 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 114 E C 1.142 177.698 176.600 -0.074 0.000 1.043 114 E CA 0.947 57.312 56.400 -0.058 0.000 0.895 114 E CB 0.110 29.779 29.700 -0.052 0.000 1.011 114 E HN 1.319 nan 8.360 nan 0.000 0.432 115 G N 3.767 112.525 108.800 -0.070 0.000 2.176 115 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.253 115 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.253 115 G C 0.847 175.682 174.900 -0.108 0.000 0.979 115 G CA 0.595 45.644 45.100 -0.085 0.000 0.641 115 G HN 0.656 nan 8.290 nan 0.000 0.530 116 Q N 0.074 119.813 119.800 -0.101 0.000 2.061 116 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 116 Q C 2.210 178.098 176.000 -0.186 0.000 0.984 116 Q CA 2.000 57.743 55.803 -0.101 0.000 0.846 116 Q CB -0.216 28.522 28.738 -0.000 0.000 0.902 116 Q HN 0.723 nan 8.270 nan 0.000 0.421 117 E N -0.777 119.242 120.200 -0.302 0.000 2.204 117 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 117 E C 1.361 177.753 176.600 -0.347 0.000 0.989 117 E CA 1.189 57.226 56.400 -0.605 0.000 0.824 117 E CB 0.282 29.590 29.700 -0.654 0.000 0.756 117 E HN 0.382 nan 8.360 nan 0.000 0.477 118 E N -0.186 119.886 120.200 -0.212 0.000 2.166 118 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 118 E C 1.417 177.946 176.600 -0.119 0.000 0.967 118 E CA 0.583 56.897 56.400 -0.144 0.000 0.840 118 E CB 0.186 29.822 29.700 -0.105 0.000 0.795 118 E HN 0.129 nan 8.360 nan 0.000 0.470 119 N N -0.538 118.089 118.700 -0.121 0.000 2.414 119 N HA 0.102 4.842 4.740 -0.000 0.000 0.177 119 N C 0.567 176.005 175.510 -0.119 0.000 1.062 119 N CA 0.217 53.206 53.050 -0.101 0.000 0.890 119 N CB 0.554 38.989 38.487 -0.088 0.000 1.070 119 N HN -0.047 nan 8.380 nan 0.000 0.454 120 S N -0.277 115.338 115.700 -0.140 0.000 2.719 120 S HA 0.530 5.000 4.470 -0.000 0.000 0.285 120 S C 0.041 174.535 174.600 -0.177 0.000 1.137 120 S CA -0.468 57.640 58.200 -0.154 0.000 1.012 120 S CB 0.934 64.082 63.200 -0.087 0.000 1.134 120 S HN 0.343 nan 8.310 nan 0.000 0.544 121 T N -1.117 113.310 114.554 -0.210 0.000 2.916 121 T HA 0.762 5.112 4.350 -0.000 0.000 0.292 121 T C -0.578 174.023 174.700 -0.165 0.000 1.064 121 T CA -0.664 61.326 62.100 -0.183 0.000 1.011 121 T CB 1.463 70.206 68.868 -0.208 0.000 1.152 121 T HN 0.545 nan 8.240 nan 0.000 0.510 122 S N -0.149 115.459 115.700 -0.153 0.000 2.579 122 S HA 0.602 5.072 4.470 -0.000 0.000 0.272 122 S C -0.178 174.358 174.600 -0.106 0.000 1.141 122 S CA -0.785 57.323 58.200 -0.154 0.000 0.843 122 S CB 1.185 64.275 63.200 -0.183 0.000 1.122 122 S HN 1.118 nan 8.310 nan 0.000 0.468 123 I N -0.310 120.212 120.570 -0.080 0.000 4.225 123 I HA 0.374 4.544 4.170 -0.000 0.000 0.327 123 I C 1.237 177.440 176.117 0.143 0.000 1.422 123 I CA -0.231 61.071 61.300 0.002 0.000 1.150 123 I CB -0.215 37.739 38.000 -0.077 0.000 1.192 123 I HN 0.489 nan 8.210 nan 0.000 0.440 124 C N 1.960 121.347 119.300 0.145 0.000 2.432 124 C HA 0.044 4.504 4.460 -0.000 0.000 0.282 124 C C 1.645 176.827 174.990 0.320 0.000 1.388 124 C CA 1.721 60.874 59.018 0.224 0.000 1.777 124 C CB -0.961 26.874 27.740 0.159 0.000 1.882 124 C HN 0.755 nan 8.230 nan 0.000 0.520 125 T N -3.822 110.865 114.554 0.222 0.000 2.916 125 T HA 0.632 4.982 4.350 -0.000 0.000 0.292 125 T C 0.741 175.198 174.700 -0.406 0.000 1.064 125 T CA 0.033 62.165 62.100 0.053 0.000 1.011 125 T CB 1.666 70.605 68.868 0.118 0.000 1.152 125 T HN 0.036 nan 8.240 nan 0.000 0.510 126 A N 0.693 123.057 122.820 -0.760 0.000 1.933 126 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 126 A C 2.012 179.411 177.584 -0.308 0.000 1.175 126 A CA 1.786 53.398 52.037 -0.709 0.000 0.628 126 A CB -1.072 17.756 19.000 -0.288 0.000 0.814 126 A HN 0.927 nan 8.150 nan 0.000 0.444 127 E N -0.510 119.554 120.200 -0.228 0.000 2.058 127 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 127 E C 1.985 178.468 176.600 -0.194 0.000 0.997 127 E CA 1.511 57.775 56.400 -0.227 0.000 0.801 127 E CB -0.369 29.186 29.700 -0.241 0.000 0.746 127 E HN 0.698 nan 8.360 nan 0.000 0.450 128 H N -0.477 118.543 119.070 -0.084 0.000 2.423 128 H HA 0.094 4.650 4.556 -0.000 0.000 0.297 128 H C 1.966 177.257 175.328 -0.061 0.000 1.075 128 H CA 1.327 57.345 56.048 -0.050 0.000 1.342 128 H CB -0.223 29.541 29.762 0.003 0.000 1.395 128 H HN 0.226 nan 8.280 nan 0.000 0.530 129 A N 0.856 123.688 122.820 0.020 0.000 1.930 129 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 129 A C 2.624 180.221 177.584 0.022 0.000 1.175 129 A CA 0.837 52.878 52.037 0.007 0.000 0.627 129 A CB -0.754 18.223 19.000 -0.038 0.000 0.815 129 A HN 0.276 nan 8.150 nan 0.000 0.443 130 L N -0.541 120.669 121.223 -0.023 0.000 2.141 130 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 130 L C 2.503 179.376 176.870 0.005 0.000 1.094 130 L CA 0.979 55.810 54.840 -0.015 0.000 0.763 130 L CB -0.362 41.650 42.059 -0.079 0.000 0.908 130 L HN 0.314 nan 8.230 nan 0.000 0.437 131 E N -0.406 119.798 120.200 0.006 0.000 2.107 131 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 131 E C 2.236 178.876 176.600 0.066 0.000 0.982 131 E CA 1.465 57.882 56.400 0.028 0.000 0.809 131 E CB -0.317 29.402 29.700 0.032 0.000 0.756 131 E HN 0.402 nan 8.360 nan 0.000 0.459 132 T N 1.625 116.230 114.554 0.085 0.000 2.759 132 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 132 T C 1.867 176.672 174.700 0.175 0.000 1.042 132 T CA 1.697 63.884 62.100 0.145 0.000 1.140 132 T CB -0.130 68.798 68.868 0.100 0.000 0.864 132 T HN 0.079 nan 8.240 nan 0.000 0.455 133 Q N 1.612 121.485 119.800 0.121 0.000 2.084 133 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 133 Q C 2.027 178.069 176.000 0.070 0.000 0.978 133 Q CA 1.749 57.612 55.803 0.101 0.000 0.844 133 Q CB -0.245 28.549 28.738 0.093 0.000 0.898 133 Q HN 0.445 nan 8.270 nan 0.000 0.426 134 K N 0.026 120.463 120.400 0.062 0.000 2.063 134 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 134 K C 2.203 178.825 176.600 0.036 0.000 1.048 134 K CA 1.601 57.914 56.287 0.044 0.000 0.928 134 K CB -0.179 32.343 32.500 0.035 0.000 0.713 134 K HN 0.122 nan 8.250 nan 0.000 0.442 135 K N 1.030 121.476 120.400 0.077 0.000 2.211 135 K HA -0.036 4.284 4.320 -0.000 0.000 0.203 135 K C 1.940 178.552 176.600 0.020 0.000 1.050 135 K CA 0.633 56.993 56.287 0.121 0.000 0.945 135 K CB 0.096 32.742 32.500 0.243 0.000 0.732 135 K HN 0.049 nan 8.250 nan 0.000 0.451 136 L N 0.223 121.376 121.223 -0.115 0.000 2.109 136 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 136 L C 2.457 178.869 176.870 -0.763 0.000 1.086 136 L CA 0.898 55.402 54.840 -0.559 0.000 0.760 136 L CB -0.209 41.602 42.059 -0.414 0.000 0.910 136 L HN 0.192 nan 8.230 nan 0.000 0.437 137 Q N 0.265 119.882 119.800 -0.304 0.000 2.124 137 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 137 Q C 1.989 177.928 176.000 -0.101 0.000 0.977 137 Q CA 1.547 57.298 55.803 -0.087 0.000 0.850 137 Q CB -0.025 28.753 28.738 0.067 0.000 0.901 137 Q HN 0.368 nan 8.270 nan 0.000 0.429 138 E N -0.890 119.243 120.200 -0.111 0.000 2.153 138 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 138 E C 1.691 178.229 176.600 -0.104 0.000 0.988 138 E CA 0.886 57.249 56.400 -0.063 0.000 0.811 138 E CB -0.055 29.635 29.700 -0.017 0.000 0.746 138 E HN 0.322 nan 8.360 nan 0.000 0.466 139 L N -0.296 120.773 121.223 -0.256 0.000 2.109 139 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 139 L C 1.697 178.461 176.870 -0.177 0.000 1.086 139 L CA 1.478 56.159 54.840 -0.266 0.000 0.760 139 L CB -0.297 41.479 42.059 -0.472 0.000 0.910 139 L HN 0.193 nan 8.230 nan 0.000 0.437 140 Y N -0.778 119.483 120.300 -0.066 0.000 2.352 140 Y HA -0.108 4.442 4.550 -0.000 0.000 0.292 140 Y C 2.474 178.358 175.900 -0.028 0.000 1.136 140 Y CA 0.433 58.503 58.100 -0.049 0.000 1.227 140 Y CB -0.544 37.892 38.460 -0.040 0.000 0.991 140 Y HN 0.332 nan 8.280 nan 0.000 0.545 141 A N -0.079 122.803 122.820 0.104 0.000 1.930 141 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 141 A C 0.720 178.325 177.584 0.034 0.000 1.176 141 A CA 0.822 52.897 52.037 0.064 0.000 0.632 141 A CB -0.075 18.954 19.000 0.048 0.000 0.819 141 A HN 0.258 nan 8.150 nan 0.000 0.445 142 N N 0.642 119.352 118.700 0.017 0.000 2.716 142 N HA 0.319 5.059 4.740 -0.000 0.000 0.253 142 N C -3.221 172.288 175.510 -0.001 0.000 1.170 142 N CA -1.140 51.915 53.050 0.008 0.000 0.807 142 N CB 1.239 39.730 38.487 0.007 0.000 1.183 142 N HN 0.074 nan 8.380 nan 0.000 0.524 143 P HA 0.242 nan 4.420 nan 0.000 0.268 143 P C 0.255 177.550 177.300 -0.008 0.000 1.205 143 P CA 0.087 63.181 63.100 -0.009 0.000 0.771 143 P CB 0.954 32.641 31.700 -0.022 0.000 0.858 144 G N 2.251 111.054 108.800 0.004 0.000 2.600 144 G HA2 0.521 4.481 3.960 -0.000 0.000 0.293 144 G HA3 0.521 4.481 3.960 -0.000 0.000 0.293 144 G C -3.257 171.668 174.900 0.042 0.000 1.408 144 G CA -1.164 43.949 45.100 0.020 0.000 0.782 144 G HN 0.234 nan 8.290 nan 0.000 0.482 145 P HA 0.346 nan 4.420 nan 0.000 0.268 145 P C -0.522 176.849 177.300 0.118 0.000 1.205 145 P CA -0.043 63.100 63.100 0.072 0.000 0.771 145 P CB 1.531 33.269 31.700 0.063 0.000 0.858 146 V N 3.889 123.883 119.914 0.133 0.000 2.555 146 V HA 0.371 4.490 4.120 -0.000 0.000 0.302 146 V C 0.096 176.287 176.094 0.162 0.000 1.038 146 V CA -0.640 61.782 62.300 0.205 0.000 0.887 146 V CB 2.323 34.274 31.823 0.214 0.000 0.991 146 V HN 0.272 nan 8.190 nan 0.000 0.434 147 V N 6.267 126.278 119.914 0.161 0.000 2.525 147 V HA 0.583 4.703 4.120 -0.000 0.000 0.299 147 V C -0.521 175.536 176.094 -0.062 0.000 1.034 147 V CA -0.330 62.030 62.300 0.101 0.000 0.863 147 V CB 1.797 33.734 31.823 0.191 0.000 0.999 147 V HN 0.695 nan 8.190 nan 0.000 0.423 148 I N 3.106 123.511 120.570 -0.275 0.000 2.689 148 I HA 0.960 5.130 4.170 -0.000 0.000 0.299 148 I C 0.637 176.005 176.117 -1.248 0.000 1.059 148 I CA -0.177 60.755 61.300 -0.612 0.000 1.055 148 I CB 2.415 40.361 38.000 -0.090 0.000 1.243 148 I HN 0.852 nan 8.210 nan 0.000 0.425 149 G N 3.122 110.950 108.800 -1.619 0.000 2.455 149 G HA2 0.581 4.541 3.960 -0.000 0.000 0.223 149 G HA3 0.581 4.541 3.960 -0.000 0.000 0.223 149 G C -2.130 172.345 174.900 -0.710 0.000 1.226 149 G CA 0.117 44.365 45.100 -1.421 0.000 0.948 149 G HN 0.886 nan 8.290 nan 0.000 0.478 150 A N -0.358 122.331 122.820 -0.218 0.000 2.449 150 A HA 0.820 5.140 4.320 -0.000 0.000 0.302 150 A C -0.002 177.682 177.584 0.167 0.000 1.048 150 A CA -0.179 51.880 52.037 0.037 0.000 0.708 150 A CB 0.922 19.958 19.000 0.060 0.000 1.274 150 A HN 1.861 nan 8.150 nan 0.000 0.410 151 I N -0.680 119.942 120.570 0.086 0.000 3.244 151 I HA 0.634 4.804 4.170 -0.000 0.000 0.314 151 I C -2.546 173.570 176.117 -0.003 0.000 1.043 151 I CA -2.761 58.551 61.300 0.019 0.000 1.099 151 I CB 0.755 38.725 38.000 -0.049 0.000 1.449 151 I HN 0.243 nan 8.210 nan 0.000 0.625 152 P HA 0.149 nan 4.420 nan 0.000 0.265 152 P C 0.493 177.767 177.300 -0.044 0.000 1.193 152 P CA 0.971 64.066 63.100 -0.008 0.000 0.765 152 P CB 0.689 32.383 31.700 -0.010 0.000 0.823 153 G N 0.870 109.651 108.800 -0.031 0.000 2.175 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 153 G C 0.178 174.984 174.900 -0.157 0.000 0.982 153 G CA -0.150 44.910 45.100 -0.066 0.000 0.641 153 G HN 0.529 nan 8.290 nan 0.000 0.527 154 V N 1.741 121.523 119.914 -0.220 0.000 2.872 154 V HA 0.497 4.617 4.120 -0.000 0.000 0.307 154 V C 1.084 176.873 176.094 -0.509 0.000 1.072 154 V CA 0.878 62.862 62.300 -0.526 0.000 1.148 154 V CB 1.366 32.771 31.823 -0.696 0.000 0.954 154 V HN 1.130 nan 8.190 nan 0.000 0.490 158 G N 2.369 111.407 108.800 0.398 0.000 2.529 158 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 158 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 158 G C -0.820 174.270 174.900 0.317 0.000 1.177 158 G CA 1.845 47.092 45.100 0.245 0.000 0.773 158 G HN 0.237 nan 8.290 nan 0.000 0.573 159 P HA -0.083 nan 4.420 nan 0.000 0.216 159 P C 2.141 179.605 177.300 0.274 0.000 1.150 159 P CA 2.040 65.263 63.100 0.206 0.000 0.843 159 P CB -0.173 31.605 31.700 0.130 0.000 0.787 160 A N -1.792 121.192 122.820 0.273 0.000 1.898 160 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 160 A C 2.021 179.897 177.584 0.488 0.000 1.181 160 A CA 1.317 53.522 52.037 0.280 0.000 0.620 160 A CB -1.814 17.250 19.000 0.106 0.000 0.819 160 A HN 0.128 nan 8.150 nan 0.000 0.442 161 Y N -0.195 120.428 120.300 0.537 0.000 2.181 161 Y HA -0.161 4.389 4.550 -0.000 0.000 0.288 161 Y C 2.474 178.635 175.900 0.435 0.000 1.146 161 Y CA 1.691 60.047 58.100 0.426 0.000 1.164 161 Y CB -0.308 38.353 38.460 0.335 0.000 0.982 161 Y HN 0.433 nan 8.280 nan 0.000 0.515 162 E N -0.462 120.071 120.200 0.556 0.000 2.051 162 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 162 E C 1.984 178.797 176.600 0.354 0.000 0.991 162 E CA 1.353 58.015 56.400 0.437 0.000 0.799 162 E CB -0.365 29.506 29.700 0.284 0.000 0.748 162 E HN 0.451 nan 8.360 nan 0.000 0.449 163 F N 0.689 120.756 119.950 0.194 0.000 2.134 163 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 163 F C 2.063 177.951 175.800 0.145 0.000 1.097 163 F CA 1.362 59.431 58.000 0.115 0.000 1.264 163 F CB -0.178 38.881 39.000 0.098 0.000 1.001 163 F HN 0.044 nan 8.300 nan 0.000 0.479 164 A N 0.286 123.276 122.820 0.284 0.000 1.883 164 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 164 A C 2.060 179.683 177.584 0.064 0.000 1.186 164 A CA 1.610 53.744 52.037 0.162 0.000 0.624 164 A CB -0.952 18.196 19.000 0.247 0.000 0.822 164 A HN 0.381 nan 8.150 nan 0.000 0.444 165 L N -1.120 120.191 121.223 0.146 0.000 2.179 165 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 165 L C 2.580 179.596 176.870 0.243 0.000 1.096 165 L CA 1.512 56.452 54.840 0.166 0.000 0.779 165 L CB -1.287 40.865 42.059 0.155 0.000 0.922 165 L HN 0.447 nan 8.230 nan 0.000 0.443 166 M N -1.163 118.536 119.600 0.165 0.000 2.132 166 M HA -0.222 4.258 4.480 -0.000 0.000 0.263 166 M C 2.140 178.495 176.300 0.091 0.000 1.065 166 M CA 1.384 56.770 55.300 0.144 0.000 1.122 166 M CB -0.329 32.172 32.600 -0.164 0.000 1.365 166 M HN 0.163 nan 8.290 nan 0.000 0.411 167 L N -0.326 120.806 121.223 -0.151 0.000 2.056 167 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 167 L C 2.440 179.337 176.870 0.046 0.000 1.078 167 L CA 2.168 56.916 54.840 -0.153 0.000 0.749 167 L CB -0.943 40.902 42.059 -0.357 0.000 0.901 167 L HN 0.325 nan 8.230 nan 0.000 0.433 168 H N -1.660 117.417 119.070 0.012 0.000 2.319 168 H HA -0.326 4.230 4.556 -0.000 0.000 0.297 168 H C 2.121 177.513 175.328 0.106 0.000 1.097 168 H CA 2.528 58.602 56.048 0.044 0.000 1.285 168 H CB -0.661 29.111 29.762 0.016 0.000 1.368 168 H HN 0.536 nan 8.280 nan 0.000 0.495 169 Y N 0.875 121.134 120.300 -0.068 0.000 2.165 169 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 169 Y C 2.560 178.442 175.900 -0.030 0.000 1.155 169 Y CA 2.156 60.220 58.100 -0.060 0.000 1.164 169 Y CB -0.298 38.241 38.460 0.132 0.000 0.978 169 Y HN 0.411 nan 8.280 nan 0.000 0.513 170 E N 0.347 120.619 120.200 0.121 0.000 2.051 170 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 170 E C 2.004 178.517 176.600 -0.146 0.000 0.991 170 E CA 1.874 58.291 56.400 0.027 0.000 0.799 170 E CB -0.552 29.257 29.700 0.182 0.000 0.748 170 E HN 0.609 nan 8.360 nan 0.000 0.449 171 L N 0.184 121.350 121.223 -0.097 0.000 2.083 171 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 171 L C 2.508 179.298 176.870 -0.133 0.000 1.083 171 L CA 1.322 56.112 54.840 -0.083 0.000 0.752 171 L CB -0.296 41.758 42.059 -0.007 0.000 0.899 171 L HN 0.068 nan 8.230 nan 0.000 0.433 172 K N -0.313 119.949 120.400 -0.230 0.000 2.057 172 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 172 K C 2.163 178.625 176.600 -0.231 0.000 1.050 172 K CA 0.838 56.987 56.287 -0.231 0.000 0.935 172 K CB 0.049 32.353 32.500 -0.326 0.000 0.715 172 K HN 0.089 nan 8.250 nan 0.000 0.439 173 K N 0.796 120.998 120.400 -0.331 0.000 2.147 173 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 173 K C 1.910 178.392 176.600 -0.196 0.000 1.049 173 K CA 1.273 57.378 56.287 -0.303 0.000 0.936 173 K CB -0.092 32.159 32.500 -0.414 0.000 0.722 173 K HN 0.167 nan 8.250 nan 0.000 0.446 174 R N -0.612 119.776 120.500 -0.188 0.000 2.299 174 R HA 0.024 4.364 4.340 -0.000 0.000 0.197 174 R C 1.109 177.364 176.300 -0.075 0.000 0.971 174 R CA 0.589 56.602 56.100 -0.145 0.000 1.030 174 R CB 0.125 30.303 30.300 -0.203 0.000 0.932 174 R HN 0.345 nan 8.270 nan 0.000 0.477 175 G N 1.917 110.679 108.800 -0.063 0.000 2.148 175 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 175 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 175 G C 0.607 175.580 174.900 0.122 0.000 0.981 175 G CA 0.559 45.663 45.100 0.006 0.000 0.670 175 G HN 0.521 nan 8.290 nan 0.000 0.528 176 I N -2.790 117.827 120.570 0.079 0.000 3.974 176 I HA 0.519 4.689 4.170 -0.000 0.000 0.334 176 I C 1.861 178.013 176.117 0.058 0.000 1.437 176 I CA 0.077 61.428 61.300 0.084 0.000 1.113 176 I CB 0.331 38.345 38.000 0.023 0.000 1.063 176 I HN 0.012 nan 8.210 nan 0.000 0.400 177 R N 2.354 122.913 120.500 0.098 0.000 2.152 177 R HA -0.214 4.126 4.340 -0.000 0.000 0.232 177 R C 1.989 178.371 176.300 0.136 0.000 1.117 177 R CA 2.225 58.379 56.100 0.090 0.000 0.981 177 R CB -0.993 29.337 30.300 0.050 0.000 0.870 177 R HN 0.776 nan 8.270 nan 0.000 0.451 178 Y N -1.520 118.790 120.300 0.016 0.000 2.583 178 Y HA 0.227 4.777 4.550 -0.000 0.000 0.293 178 Y C 0.922 176.836 175.900 0.023 0.000 1.157 178 Y CA 0.393 58.507 58.100 0.023 0.000 1.315 178 Y CB 0.073 38.542 38.460 0.015 0.000 1.021 178 Y HN -0.078 nan 8.280 nan 0.000 0.536 179 K N 0.472 120.615 120.400 -0.429 0.000 2.358 179 K HA 0.265 4.585 4.320 -0.000 0.000 0.197 179 K C -0.612 175.907 176.600 -0.135 0.000 1.025 179 K CA 0.030 56.098 56.287 -0.366 0.000 1.104 179 K CB 1.156 33.409 32.500 -0.412 0.000 0.855 179 K HN 0.079 nan 8.250 nan 0.000 0.531 180 V N 3.618 123.497 119.914 -0.059 0.000 2.325 180 V HA 0.224 4.344 4.120 -0.000 0.000 0.280 180 V C -2.581 173.532 176.094 0.031 0.000 1.016 180 V CA -2.205 60.094 62.300 -0.001 0.000 0.818 180 V CB 1.044 32.878 31.823 0.019 0.000 1.019 180 V HN -0.022 nan 8.190 nan 0.000 0.434 181 P HA 0.324 nan 4.420 nan 0.000 0.271 181 P C -0.524 176.810 177.300 0.057 0.000 1.216 181 P CA 0.126 63.251 63.100 0.043 0.000 0.771 181 P CB 0.478 32.200 31.700 0.038 0.000 0.864 182 M N 2.193 121.824 119.600 0.051 0.000 2.259 182 M HA 0.364 4.844 4.480 -0.000 0.000 0.304 182 M C -0.712 175.617 176.300 0.049 0.000 1.019 182 M CA -0.111 55.220 55.300 0.052 0.000 0.922 182 M CB 2.272 34.888 32.600 0.028 0.000 1.600 182 M HN 0.188 nan 8.290 nan 0.000 0.433 183 T N 2.534 117.137 114.554 0.081 0.000 2.886 183 T HA 0.569 4.919 4.350 -0.000 0.000 0.292 183 T C -1.531 173.258 174.700 0.149 0.000 1.012 183 T CA -0.491 61.678 62.100 0.114 0.000 0.982 183 T CB 1.587 70.514 68.868 0.099 0.000 1.018 183 T HN 0.463 nan 8.240 nan 0.000 0.451 184 F N 3.669 123.659 119.950 0.066 0.000 2.449 184 F HA 0.706 5.233 4.527 -0.000 0.000 0.342 184 F C -1.148 174.718 175.800 0.111 0.000 1.127 184 F CA -1.032 57.003 58.000 0.059 0.000 0.975 184 F CB 0.620 39.716 39.000 0.161 0.000 1.146 184 F HN 0.441 nan 8.300 nan 0.000 0.444 185 I N 5.436 125.868 120.570 -0.229 0.000 2.436 185 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 185 I C -0.292 175.737 176.117 -0.147 0.000 1.010 185 I CA -0.510 60.748 61.300 -0.071 0.000 1.098 185 I CB 2.121 40.122 38.000 0.002 0.000 1.266 185 I HN 0.515 nan 8.210 nan 0.000 0.434 186 T N 2.021 116.585 114.554 0.015 0.000 2.906 186 T HA 0.284 4.634 4.350 -0.000 0.000 0.295 186 T C 0.828 175.572 174.700 0.073 0.000 1.061 186 T CA -0.389 61.747 62.100 0.060 0.000 1.000 186 T CB 1.626 70.596 68.868 0.171 0.000 1.103 186 T HN 0.674 nan 8.240 nan 0.000 0.486 187 S N 1.695 117.464 115.700 0.115 0.000 2.496 187 S HA 0.170 4.640 4.470 -0.000 0.000 0.224 187 S C 0.492 175.060 174.600 -0.053 0.000 0.996 187 S CA -0.119 58.119 58.200 0.064 0.000 0.927 187 S CB -0.426 62.838 63.200 0.107 0.000 0.774 187 S HN 0.799 nan 8.310 nan 0.000 0.524 188 E N 3.224 123.322 120.200 -0.170 0.000 2.481 188 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 188 E C -1.491 174.870 176.600 -0.398 0.000 0.992 188 E CA -1.036 55.078 56.400 -0.477 0.000 0.938 188 E CB 0.364 29.706 29.700 -0.598 0.000 0.933 188 E HN 0.244 nan 8.360 nan 0.000 0.453 189 P HA -0.152 nan 4.420 nan 0.000 0.220 189 P C -0.575 176.659 177.300 -0.111 0.000 1.148 189 P CA 1.552 64.470 63.100 -0.304 0.000 0.803 189 P CB -0.044 31.462 31.700 -0.325 0.000 0.782 190 Y N -4.252 115.945 120.300 -0.172 0.000 2.609 190 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 190 Y C -0.685 175.061 175.900 -0.258 0.000 1.129 190 Y CA -2.353 55.655 58.100 -0.153 0.000 1.040 190 Y CB -0.183 38.197 38.460 -0.133 0.000 1.310 190 Y HN -0.408 nan 8.280 nan 0.000 0.460 191 L N 2.889 123.994 121.223 -0.197 0.000 2.490 191 L HA 0.414 4.754 4.340 -0.000 0.000 0.274 191 L C 1.289 177.892 176.870 -0.445 0.000 1.201 191 L CA 1.905 56.505 54.840 -0.400 0.000 0.869 191 L CB 0.199 41.792 42.059 -0.777 0.000 1.123 191 L HN 1.161 nan 8.230 nan 0.000 0.484 192 G N 1.430 109.732 108.800 -0.830 0.000 2.137 192 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.237 192 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.237 192 G C 1.174 175.303 174.900 -1.285 0.000 1.002 192 G CA 0.488 44.746 45.100 -1.403 0.000 0.702 192 G HN 0.849 nan 8.290 nan 0.000 0.515 193 H N -0.321 118.087 119.070 -1.102 0.000 2.343 193 H HA 0.013 4.569 4.556 -0.000 0.000 0.303 193 H C 2.100 177.050 175.328 -0.631 0.000 1.068 193 H CA 1.963 57.474 56.048 -0.894 0.000 1.359 193 H CB -0.093 28.972 29.762 -1.161 0.000 1.402 193 H HN 0.780 nan 8.280 nan 0.000 0.515 194 F N -1.112 118.586 119.950 -0.421 0.000 2.871 194 F HA -0.223 4.304 4.527 -0.000 0.000 0.326 194 F C 1.551 177.307 175.800 -0.074 0.000 0.675 194 F CA 1.554 59.393 58.000 -0.269 0.000 1.188 194 F CB -1.928 36.912 39.000 -0.267 0.000 1.567 194 F HN 0.460 nan 8.300 nan 0.000 0.325 195 G N -0.999 107.815 108.800 0.024 0.000 2.137 195 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.237 195 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.237 195 G C 0.500 175.398 174.900 -0.003 0.000 1.002 195 G CA 0.223 45.443 45.100 0.201 0.000 0.702 195 G HN 0.921 nan 8.290 nan 0.000 0.515 196 V N -0.890 118.835 119.914 -0.316 0.000 3.392 196 V HA 0.524 4.643 4.120 -0.000 0.000 0.294 196 V C 1.928 177.826 176.094 -0.327 0.000 1.561 196 V CA 1.221 63.394 62.300 -0.212 0.000 1.056 196 V CB 0.483 32.252 31.823 -0.090 0.000 0.882 196 V HN 1.987 nan 8.190 nan 0.000 0.440 197 G N 0.619 108.965 108.800 -0.758 0.000 2.143 197 G HA2 0.106 4.066 3.960 -0.000 0.000 0.248 197 G HA3 0.106 4.066 3.960 -0.000 0.000 0.248 197 G C 0.819 175.583 174.900 -0.226 0.000 0.991 197 G CA 0.345 45.178 45.100 -0.444 0.000 0.689 197 G HN 1.911 nan 8.290 nan 0.000 0.522 198 G N -1.398 107.208 108.800 -0.323 0.000 2.712 198 G HA2 0.139 4.099 3.960 -0.000 0.000 0.686 198 G HA3 0.139 4.099 3.960 -0.000 0.000 0.686 198 G C -0.429 174.440 174.900 -0.051 0.000 1.321 198 G CA -0.239 44.778 45.100 -0.137 0.000 0.813 198 G HN 1.316 nan 8.290 nan 0.000 0.599 199 I N 2.820 123.402 120.570 0.020 0.000 2.420 199 I HA 0.545 4.715 4.170 -0.000 0.000 0.282 199 I C 1.249 177.434 176.117 0.114 0.000 1.019 199 I CA 0.359 61.699 61.300 0.067 0.000 1.130 199 I CB 0.793 38.855 38.000 0.103 0.000 1.262 199 I HN 1.927 nan 8.210 nan 0.000 0.454 200 G N 4.955 113.796 108.800 0.068 0.000 2.596 200 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.295 200 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.295 200 G C 0.592 175.519 174.900 0.044 0.000 1.240 200 G CA 0.297 45.437 45.100 0.067 0.000 0.985 200 G HN 0.933 nan 8.290 nan 0.000 0.555 201 A N 0.315 123.168 122.820 0.054 0.000 2.734 201 A HA 0.595 4.915 4.320 -0.000 0.000 0.279 201 A C 2.113 179.716 177.584 0.031 0.000 1.386 201 A CA 1.452 53.499 52.037 0.017 0.000 0.987 201 A CB -0.766 18.242 19.000 0.012 0.000 1.041 201 A HN 2.079 nan 8.150 nan 0.000 0.569 202 S N 0.552 116.291 115.700 0.065 0.000 2.387 202 S HA -0.285 4.185 4.470 -0.000 0.000 0.230 202 S C 1.920 176.450 174.600 -0.117 0.000 1.035 202 S CA 1.619 59.865 58.200 0.077 0.000 1.014 202 S CB -0.337 62.892 63.200 0.049 0.000 0.836 202 S HN 0.676 nan 8.310 nan 0.000 0.466 203 K N 1.387 121.692 120.400 -0.159 0.000 2.026 203 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 203 K C 2.568 179.046 176.600 -0.203 0.000 1.048 203 K CA 1.404 57.563 56.287 -0.213 0.000 0.929 203 K CB -0.256 32.092 32.500 -0.253 0.000 0.713 203 K HN 0.431 nan 8.250 nan 0.000 0.439 204 R N 0.804 121.224 120.500 -0.133 0.000 2.075 204 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 204 R C 2.529 178.783 176.300 -0.076 0.000 1.126 204 R CA 1.192 57.237 56.100 -0.091 0.000 0.963 204 R CB -0.314 29.954 30.300 -0.053 0.000 0.858 204 R HN 0.299 nan 8.270 nan 0.000 0.435 205 L N 0.079 121.273 121.223 -0.048 0.000 1.989 205 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 205 L C 1.976 178.792 176.870 -0.089 0.000 1.071 205 L CA 1.439 56.269 54.840 -0.017 0.000 0.749 205 L CB -0.183 41.921 42.059 0.075 0.000 0.890 205 L HN 0.078 nan 8.230 nan 0.000 0.431 206 V N -0.216 119.580 119.914 -0.196 0.000 2.358 206 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 206 V C 2.379 178.156 176.094 -0.528 0.000 1.047 206 V CA 1.961 64.009 62.300 -0.420 0.000 1.035 206 V CB -0.593 30.844 31.823 -0.642 0.000 0.658 206 V HN 0.478 nan 8.190 nan 0.000 0.452 207 E N 0.094 120.038 120.200 -0.426 0.000 2.051 207 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 207 E C 1.970 178.539 176.600 -0.052 0.000 0.991 207 E CA 1.556 57.775 56.400 -0.302 0.000 0.799 207 E CB -0.180 29.402 29.700 -0.196 0.000 0.748 207 E HN 0.583 nan 8.360 nan 0.000 0.449 208 D N 0.427 120.801 120.400 -0.043 0.000 2.178 208 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 208 D C 1.877 178.196 176.300 0.031 0.000 0.974 208 D CA 0.481 54.491 54.000 0.017 0.000 0.841 208 D CB -0.120 40.685 40.800 0.008 0.000 0.953 208 D HN 0.052 nan 8.370 nan 0.000 0.478 209 L N -0.017 121.202 121.223 -0.007 0.000 2.027 209 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 209 L C 1.958 178.904 176.870 0.126 0.000 1.074 209 L CA 1.438 56.283 54.840 0.007 0.000 0.745 209 L CB -0.734 41.275 42.059 -0.084 0.000 0.898 209 L HN -0.113 nan 8.230 nan 0.000 0.433 210 F N 0.042 119.919 119.950 -0.123 0.000 2.134 210 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 210 F C 2.549 178.361 175.800 0.019 0.000 1.097 210 F CA 0.868 58.829 58.000 -0.066 0.000 1.264 210 F CB -1.525 37.452 39.000 -0.039 0.000 1.001 210 F HN 0.202 nan 8.300 nan 0.000 0.479 211 A N -0.219 122.754 122.820 0.256 0.000 1.902 211 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 211 A C 2.166 179.802 177.584 0.086 0.000 1.181 211 A CA 1.750 53.892 52.037 0.174 0.000 0.623 211 A CB -0.809 18.289 19.000 0.164 0.000 0.818 211 A HN 0.418 nan 8.150 nan 0.000 0.443 212 E N -0.764 119.474 120.200 0.063 0.000 2.153 212 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 212 E C 1.698 178.300 176.600 0.003 0.000 0.988 212 E CA 0.968 57.389 56.400 0.036 0.000 0.811 212 E CB -0.066 29.654 29.700 0.034 0.000 0.746 212 E HN 0.512 nan 8.360 nan 0.000 0.466 213 R N 0.271 120.729 120.500 -0.070 0.000 2.468 213 R HA 0.107 4.447 4.340 -0.000 0.000 0.280 213 R C -0.065 176.059 176.300 -0.294 0.000 0.963 213 R CA -0.106 55.839 56.100 -0.258 0.000 1.083 213 R CB 0.151 30.144 30.300 -0.512 0.000 1.200 213 R HN 0.032 nan 8.270 nan 0.000 0.541 214 N N 1.308 119.946 118.700 -0.103 0.000 2.727 214 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 214 N C -1.174 174.278 175.510 -0.096 0.000 1.040 214 N CA 0.436 53.458 53.050 -0.045 0.000 0.712 214 N CB -0.475 38.017 38.487 0.009 0.000 0.912 214 N HN 0.155 nan 8.380 nan 0.000 0.545 215 I N 0.682 121.159 120.570 -0.154 0.000 2.328 215 I HA 0.248 4.418 4.170 -0.000 0.000 0.287 215 I C 0.519 176.664 176.117 0.046 0.000 1.012 215 I CA -0.592 60.569 61.300 -0.231 0.000 1.195 215 I CB 0.747 38.245 38.000 -0.836 0.000 1.350 215 I HN 0.150 nan 8.210 nan 0.000 0.464 216 D N 7.410 127.855 120.400 0.075 0.000 2.368 216 D HA 0.284 4.924 4.640 -0.000 0.000 0.240 216 D C -0.282 176.198 176.300 0.300 0.000 1.169 216 D CA 0.512 54.575 54.000 0.105 0.000 0.906 216 D CB 1.325 42.139 40.800 0.023 0.000 1.187 216 D HN 0.520 nan 8.370 nan 0.000 0.435 217 W N -0.003 121.387 121.300 0.150 0.000 3.213 217 W HA 0.598 5.258 4.660 -0.000 0.000 0.318 217 W C -1.882 174.703 176.519 0.110 0.000 1.248 217 W CA -0.965 56.507 57.345 0.212 0.000 1.187 217 W CB 0.240 29.917 29.460 0.362 0.000 1.403 217 W HN 0.104 nan 8.180 nan 0.000 0.556 218 I N 2.635 123.407 120.570 0.338 0.000 2.478 218 I HA 0.605 4.775 4.170 -0.000 0.000 0.287 218 I C -0.017 176.234 176.117 0.224 0.000 1.042 218 I CA -0.669 60.708 61.300 0.128 0.000 1.067 218 I CB 1.703 39.589 38.000 -0.189 0.000 1.233 218 I HN 0.581 nan 8.210 nan 0.000 0.431 219 A N 4.015 127.011 122.820 0.293 0.000 2.350 219 A HA 0.720 5.040 4.320 -0.000 0.000 0.318 219 A C 0.474 178.124 177.584 0.111 0.000 1.132 219 A CA -0.429 51.736 52.037 0.213 0.000 0.811 219 A CB 1.018 20.177 19.000 0.266 0.000 1.313 219 A HN 0.792 nan 8.150 nan 0.000 0.454 220 N N -1.855 116.874 118.700 0.048 0.000 2.776 220 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 220 N C -0.427 175.112 175.510 0.049 0.000 1.111 220 N CA 1.230 54.294 53.050 0.025 0.000 0.711 220 N CB -1.695 36.818 38.487 0.044 0.000 1.065 220 N HN 1.594 nan 8.380 nan 0.000 0.556 221 V N -3.579 116.363 119.914 0.048 0.000 3.001 221 V HA 0.995 5.115 4.120 -0.000 0.000 0.314 221 V C 0.193 176.336 176.094 0.081 0.000 1.099 221 V CA -0.655 61.699 62.300 0.089 0.000 0.989 221 V CB 2.126 34.007 31.823 0.096 0.000 1.040 221 V HN 0.307 nan 8.190 nan 0.000 0.434 222 A N 2.295 125.184 122.820 0.114 0.000 2.258 222 A HA 0.738 5.058 4.320 -0.000 0.000 0.316 222 A C -0.305 177.340 177.584 0.101 0.000 1.279 222 A CA -0.586 51.497 52.037 0.078 0.000 0.876 222 A CB 0.786 19.814 19.000 0.047 0.000 1.170 222 A HN 1.183 nan 8.150 nan 0.000 0.520 223 V N 4.601 124.549 119.914 0.056 0.000 2.470 223 V HA 0.084 4.204 4.120 -0.000 0.000 0.276 223 V C 0.834 176.899 176.094 -0.048 0.000 1.040 223 V CA 0.240 62.543 62.300 0.006 0.000 1.008 223 V CB 0.838 32.585 31.823 -0.128 0.000 0.990 223 V HN 0.961 nan 8.190 nan 0.000 0.477 224 K N 3.394 123.770 120.400 -0.039 0.000 2.287 224 K HA 0.453 4.773 4.320 -0.000 0.000 0.199 224 K C 0.433 176.981 176.600 -0.086 0.000 1.061 224 K CA 0.850 57.103 56.287 -0.056 0.000 0.976 224 K CB 0.849 33.324 32.500 -0.043 0.000 0.898 224 K HN 0.707 nan 8.250 nan 0.000 0.492 225 A N 1.228 123.985 122.820 -0.106 0.000 2.574 225 A HA 0.639 4.959 4.320 -0.000 0.000 0.297 225 A C -1.316 176.179 177.584 -0.148 0.000 1.062 225 A CA -0.678 51.291 52.037 -0.114 0.000 0.686 225 A CB 1.320 20.272 19.000 -0.080 0.000 1.285 225 A HN 0.037 nan 8.150 nan 0.000 0.403 226 I N 2.147 122.625 120.570 -0.153 0.000 2.420 226 I HA 0.346 4.516 4.170 -0.000 0.000 0.282 226 I C 0.135 176.193 176.117 -0.098 0.000 1.019 226 I CA -0.045 61.163 61.300 -0.153 0.000 1.130 226 I CB 0.840 38.716 38.000 -0.206 0.000 1.262 226 I HN 0.777 nan 8.210 nan 0.000 0.454 227 E N 6.867 127.026 120.200 -0.069 0.000 2.292 227 E HA 0.330 4.680 4.350 -0.000 0.000 0.258 227 E C -1.590 174.986 176.600 -0.041 0.000 1.115 227 E CA -1.548 54.822 56.400 -0.050 0.000 0.929 227 E CB 1.198 30.877 29.700 -0.036 0.000 1.161 227 E HN 0.291 nan 8.360 nan 0.000 0.453 228 P HA -0.067 nan 4.420 nan 0.000 0.237 228 P C -0.136 177.160 177.300 -0.007 0.000 1.178 228 P CA 1.005 64.092 63.100 -0.022 0.000 0.766 228 P CB 0.188 31.877 31.700 -0.019 0.000 0.876 229 D N -1.965 118.433 120.400 -0.004 0.000 2.516 229 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 229 D C 0.265 176.574 176.300 0.016 0.000 1.246 229 D CA 0.029 54.034 54.000 0.009 0.000 0.808 229 D CB 0.333 41.137 40.800 0.006 0.000 1.147 229 D HN 0.173 nan 8.370 nan 0.000 0.527 230 K N -0.554 119.851 120.400 0.009 0.000 2.597 230 K HA 0.544 4.864 4.320 -0.000 0.000 0.282 230 K C -1.942 174.663 176.600 0.009 0.000 0.975 230 K CA -0.819 55.479 56.287 0.019 0.000 0.867 230 K CB 1.815 34.323 32.500 0.013 0.000 1.465 230 K HN -0.152 nan 8.250 nan 0.000 0.417 231 V N 2.249 122.186 119.914 0.038 0.000 2.555 231 V HA 0.503 4.623 4.120 -0.000 0.000 0.302 231 V C -0.451 175.678 176.094 0.059 0.000 1.038 231 V CA -0.810 61.503 62.300 0.023 0.000 0.887 231 V CB 1.516 33.383 31.823 0.072 0.000 0.991 231 V HN 0.638 nan 8.190 nan 0.000 0.434 232 I N 5.579 126.156 120.570 0.011 0.000 2.433 232 I HA 0.569 4.739 4.170 -0.000 0.000 0.292 232 I C -0.899 175.253 176.117 0.060 0.000 1.001 232 I CA -0.615 60.685 61.300 -0.001 0.000 1.119 232 I CB 1.547 39.513 38.000 -0.058 0.000 1.289 232 I HN 0.768 nan 8.210 nan 0.000 0.438 233 Y N 3.055 123.351 120.300 -0.006 0.000 2.581 233 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 233 Y C -1.055 174.838 175.900 -0.013 0.000 1.036 233 Y CA -1.208 56.893 58.100 0.000 0.000 1.042 233 Y CB 1.298 39.787 38.460 0.049 0.000 1.289 233 Y HN 0.512 nan 8.280 nan 0.000 0.471 234 E N 2.164 122.436 120.200 0.120 0.000 2.199 234 E HA 0.267 4.617 4.350 -0.000 0.000 0.265 234 E C -1.350 175.341 176.600 0.152 0.000 0.882 234 E CA -0.913 55.490 56.400 0.005 0.000 0.759 234 E CB 1.294 30.972 29.700 -0.037 0.000 1.148 234 E HN 0.816 nan 8.360 nan 0.000 0.412 235 D N 3.008 123.487 120.400 0.132 0.000 2.447 235 D HA 0.030 4.670 4.640 -0.000 0.000 0.265 235 D C 1.082 177.432 176.300 0.084 0.000 1.250 235 D CA -0.319 53.787 54.000 0.176 0.000 1.046 235 D CB 0.557 41.507 40.800 0.251 0.000 1.095 235 D HN 0.457 nan 8.370 nan 0.000 0.555 236 L N -0.896 120.375 121.223 0.081 0.000 2.395 236 L HA 0.046 4.385 4.340 -0.000 0.000 0.218 236 L C 1.446 178.336 176.870 0.033 0.000 1.130 236 L CA 0.641 55.510 54.840 0.048 0.000 0.826 236 L CB -0.600 41.486 42.059 0.046 0.000 0.941 236 L HN 0.339 nan 8.230 nan 0.000 0.451 237 N N -0.075 118.648 118.700 0.038 0.000 2.494 237 N HA 0.014 4.754 4.740 -0.000 0.000 0.182 237 N C 1.119 176.629 175.510 0.001 0.000 1.076 237 N CA 0.844 53.908 53.050 0.023 0.000 0.908 237 N CB 0.324 38.832 38.487 0.034 0.000 0.967 237 N HN 0.327 nan 8.380 nan 0.000 0.449 238 G N -0.287 108.506 108.800 -0.012 0.000 2.138 238 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.193 238 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.193 238 G C -0.701 174.151 174.900 -0.080 0.000 0.998 238 G CA -0.638 44.440 45.100 -0.037 0.000 0.668 238 G HN 0.201 nan 8.290 nan 0.000 0.516 239 N N 0.431 119.059 118.700 -0.120 0.000 2.399 239 N HA 0.575 5.315 4.740 -0.000 0.000 0.295 239 N C -0.333 174.887 175.510 -0.482 0.000 1.048 239 N CA 0.040 52.943 53.050 -0.245 0.000 0.886 239 N CB 1.798 40.164 38.487 -0.203 0.000 1.185 239 N HN 0.171 nan 8.380 nan 0.000 0.487 240 T N 1.068 115.333 114.554 -0.481 0.000 2.875 240 T HA 0.419 4.768 4.350 -0.000 0.000 0.284 240 T C -0.853 173.408 174.700 -0.732 0.000 0.995 240 T CA -0.161 61.623 62.100 -0.526 0.000 1.060 240 T CB 0.210 68.914 68.868 -0.274 0.000 0.967 240 T HN 0.483 nan 8.240 nan 0.000 0.476 241 H N 1.287 120.052 119.070 -0.509 0.000 2.865 241 H HA 0.581 5.137 4.556 -0.000 0.000 0.372 241 H C -0.607 174.455 175.328 -0.443 0.000 1.173 241 H CA -1.118 54.609 56.048 -0.533 0.000 1.147 241 H CB 1.622 30.924 29.762 -0.768 0.000 1.805 241 H HN 0.690 nan 8.280 nan 0.000 0.553 242 E N 0.794 120.957 120.200 -0.061 0.000 2.288 242 E HA 0.651 5.001 4.350 -0.000 0.000 0.268 242 E C -1.442 175.211 176.600 0.088 0.000 0.885 242 E CA -1.093 55.311 56.400 0.006 0.000 0.767 242 E CB 2.621 32.317 29.700 -0.007 0.000 1.220 242 E HN 0.167 nan 8.360 nan 0.000 0.427 243 V N 2.385 122.376 119.914 0.128 0.000 2.588 243 V HA 0.408 4.527 4.120 -0.000 0.000 0.304 243 V C -2.285 173.865 176.094 0.092 0.000 1.042 243 V CA -2.025 60.354 62.300 0.131 0.000 0.877 243 V CB 1.769 33.706 31.823 0.191 0.000 0.996 243 V HN 0.725 nan 8.190 nan 0.000 0.425 244 P HA 0.441 nan 4.420 nan 0.000 0.269 244 P C -0.826 176.516 177.300 0.070 0.000 1.209 244 P CA -0.021 63.113 63.100 0.057 0.000 0.776 244 P CB 1.193 32.919 31.700 0.044 0.000 0.876 245 A N 2.143 125.002 122.820 0.064 0.000 2.491 245 A HA 0.376 4.696 4.320 -0.000 0.000 0.293 245 A C 0.544 178.171 177.584 0.073 0.000 1.047 245 A CA -0.573 51.513 52.037 0.081 0.000 0.735 245 A CB 1.293 20.347 19.000 0.089 0.000 1.281 245 A HN 0.493 nan 8.150 nan 0.000 0.398 246 K N 1.336 121.795 120.400 0.099 0.000 2.276 246 K HA 0.336 4.656 4.320 -0.000 0.000 0.198 246 K C -0.284 176.416 176.600 0.166 0.000 1.052 246 K CA 0.660 57.009 56.287 0.103 0.000 0.984 246 K CB 0.227 32.781 32.500 0.090 0.000 0.836 246 K HN 0.637 nan 8.250 nan 0.000 0.490 247 F N 1.025 120.991 119.950 0.026 0.000 2.569 247 F HA 0.382 4.909 4.527 -0.000 0.000 0.312 247 F C -1.154 174.688 175.800 0.069 0.000 1.109 247 F CA -0.523 57.496 58.000 0.032 0.000 0.919 247 F CB 1.959 40.966 39.000 0.011 0.000 1.211 247 F HN -0.021 nan 8.300 nan 0.000 0.446 248 T N 4.507 118.630 114.554 -0.718 0.000 2.903 248 T HA 0.657 5.007 4.350 -0.000 0.000 0.299 248 T C -1.372 172.940 174.700 -0.647 0.000 1.093 248 T CA -0.837 61.013 62.100 -0.417 0.000 1.002 248 T CB 1.863 70.731 68.868 0.000 0.000 1.127 248 T HN 0.735 nan 8.240 nan 0.000 0.488 249 M N 2.989 122.405 119.600 -0.307 0.000 2.183 249 M HA 0.563 5.043 4.480 -0.000 0.000 0.277 249 M C -2.471 173.640 176.300 -0.316 0.000 0.995 249 M CA -1.021 54.105 55.300 -0.291 0.000 0.969 249 M CB 0.973 33.380 32.600 -0.322 0.000 1.659 249 M HN 0.849 nan 8.290 nan 0.000 0.462 250 F N 3.773 123.601 119.950 -0.202 0.000 2.546 250 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 250 F C 0.271 175.971 175.800 -0.165 0.000 1.076 250 F CA -0.721 57.174 58.000 -0.175 0.000 0.928 250 F CB 1.917 40.833 39.000 -0.141 0.000 1.189 250 F HN 0.374 nan 8.300 nan 0.000 0.465 251 M N 4.900 124.472 119.600 -0.046 0.000 2.185 251 M HA 0.270 4.750 4.480 -0.000 0.000 0.357 251 M C -2.407 173.790 176.300 -0.171 0.000 1.260 251 M CA -2.006 53.211 55.300 -0.138 0.000 1.124 251 M CB 0.580 33.040 32.600 -0.234 0.000 1.600 251 M HN 0.196 nan 8.290 nan 0.000 0.467 252 P HA 0.222 nan 4.420 nan 0.000 0.278 252 P C -0.540 176.480 177.300 -0.466 0.000 1.258 252 P CA -0.403 62.459 63.100 -0.397 0.000 0.811 252 P CB 0.601 31.865 31.700 -0.726 0.000 1.063 253 S N 0.260 115.721 115.700 -0.397 0.000 2.669 253 S HA 0.588 5.058 4.470 -0.000 0.000 0.270 253 S C -0.395 174.050 174.600 -0.258 0.000 1.225 253 S CA -0.367 57.562 58.200 -0.451 0.000 0.991 253 S CB -0.027 63.019 63.200 -0.257 0.000 0.987 253 S HN 0.218 nan 8.310 nan 0.000 0.552 254 F N 0.779 120.650 119.950 -0.133 0.000 2.492 254 F HA 0.621 5.148 4.527 -0.000 0.000 0.327 254 F C 0.454 176.214 175.800 -0.067 0.000 1.079 254 F CA -1.023 56.915 58.000 -0.103 0.000 0.967 254 F CB 1.669 40.619 39.000 -0.082 0.000 1.169 254 F HN 0.866 nan 8.300 nan 0.000 0.472 255 Q N 0.449 120.339 119.800 0.150 0.000 2.615 255 Q HA 0.793 5.133 4.340 -0.000 0.000 0.298 255 Q C -0.535 175.495 176.000 0.049 0.000 1.023 255 Q CA -1.389 54.460 55.803 0.077 0.000 0.768 255 Q CB 1.973 30.736 28.738 0.043 0.000 1.500 255 Q HN 0.780 nan 8.270 nan 0.000 0.441 256 G N 1.067 109.888 108.800 0.034 0.000 2.569 256 G HA2 0.468 4.428 3.960 -0.000 0.000 0.249 256 G HA3 0.468 4.428 3.960 -0.000 0.000 0.249 256 G C -2.286 172.621 174.900 0.013 0.000 1.216 256 G CA -0.890 44.221 45.100 0.018 0.000 0.845 256 G HN 0.553 nan 8.290 nan 0.000 0.568 257 P HA 0.221 nan 4.420 nan 0.000 0.279 257 P C 0.362 177.666 177.300 0.007 0.000 1.282 257 P CA -0.379 62.724 63.100 0.005 0.000 0.788 257 P CB 1.374 33.073 31.700 -0.001 0.000 1.139 258 E N -0.367 119.838 120.200 0.008 0.000 2.216 258 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 258 E C 1.750 178.352 176.600 0.004 0.000 0.988 258 E CA 0.584 56.989 56.400 0.007 0.000 0.834 258 E CB -0.834 28.872 29.700 0.008 0.000 0.772 258 E HN 0.143 nan 8.360 nan 0.000 0.479 259 V N 0.808 120.723 119.914 0.002 0.000 2.594 259 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 259 V C 2.040 178.133 176.094 -0.002 0.000 1.069 259 V CA 1.174 63.474 62.300 -0.000 0.000 1.082 259 V CB -0.050 31.773 31.823 -0.001 0.000 0.680 259 V HN 0.025 nan 8.190 nan 0.000 0.469 260 V N 0.104 120.018 119.914 -0.000 0.000 2.446 260 V HA 0.012 4.132 4.120 -0.000 0.000 0.244 260 V C 2.761 178.857 176.094 0.003 0.000 1.039 260 V CA 1.492 63.792 62.300 0.000 0.000 1.045 260 V CB -0.824 31.002 31.823 0.004 0.000 0.681 260 V HN 0.589 nan 8.190 nan 0.000 0.459 261 A N 1.018 123.841 122.820 0.006 0.000 1.978 261 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 261 A C 2.474 180.062 177.584 0.006 0.000 1.170 261 A CA 2.161 54.203 52.037 0.008 0.000 0.636 261 A CB -0.691 18.314 19.000 0.009 0.000 0.810 261 A HN 0.685 nan 8.150 nan 0.000 0.448 262 S N -0.421 115.280 115.700 0.002 0.000 2.507 262 S HA 0.221 4.691 4.470 -0.000 0.000 0.235 262 S C 1.681 176.277 174.600 -0.007 0.000 0.988 262 S CA 0.934 59.134 58.200 -0.001 0.000 0.944 262 S CB -0.354 62.845 63.200 -0.002 0.000 0.762 262 S HN 0.848 nan 8.310 nan 0.000 0.526 263 A N 0.946 123.759 122.820 -0.011 0.000 2.208 263 A HA 0.584 4.904 4.320 -0.000 0.000 0.209 263 A C 1.313 178.892 177.584 -0.007 0.000 1.161 263 A CA 0.431 52.449 52.037 -0.032 0.000 0.782 263 A CB -0.961 18.009 19.000 -0.049 0.000 0.816 263 A HN 1.576 nan 8.150 nan 0.000 0.477 264 G N -0.061 108.750 108.800 0.017 0.000 2.541 264 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.686 264 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.686 264 G C -0.093 174.837 174.900 0.049 0.000 1.286 264 G CA 0.085 45.210 45.100 0.042 0.000 0.894 264 G HN 0.513 nan 8.290 nan 0.000 0.575 265 D N -0.645 119.785 120.400 0.049 0.000 2.363 265 D HA 0.039 4.679 4.640 -0.000 0.000 0.226 265 D C 1.533 177.861 176.300 0.047 0.000 1.020 265 D CA 0.858 54.881 54.000 0.039 0.000 0.892 265 D CB 0.191 41.007 40.800 0.027 0.000 0.900 265 D HN 0.357 nan 8.370 nan 0.000 0.531 266 K N -0.385 120.063 120.400 0.081 0.000 2.353 266 K HA 0.198 4.518 4.320 -0.000 0.000 0.195 266 K C 1.650 178.322 176.600 0.121 0.000 1.031 266 K CA 0.053 56.392 56.287 0.088 0.000 1.079 266 K CB 1.009 33.563 32.500 0.089 0.000 0.857 266 K HN -0.003 nan 8.250 nan 0.000 0.535 267 V N -0.300 119.684 119.914 0.117 0.000 2.908 267 V HA 0.287 4.407 4.120 -0.000 0.000 0.240 267 V C 0.535 176.653 176.094 0.040 0.000 1.117 267 V CA 0.388 62.738 62.300 0.083 0.000 1.133 267 V CB 0.478 32.332 31.823 0.051 0.000 0.857 267 V HN 0.109 nan 8.190 nan 0.000 0.478 268 A N 1.470 124.310 122.820 0.033 0.000 2.249 268 A HA 0.406 4.726 4.320 -0.000 0.000 0.314 268 A C 0.126 177.722 177.584 0.019 0.000 1.290 268 A CA -0.324 51.725 52.037 0.022 0.000 0.893 268 A CB -0.041 18.969 19.000 0.018 0.000 1.165 268 A HN 0.321 nan 8.150 nan 0.000 0.530 269 N N 3.823 122.531 118.700 0.014 0.000 2.359 269 N HA -0.011 4.729 4.740 -0.000 0.000 0.261 269 N C -1.368 174.149 175.510 0.012 0.000 1.267 269 N CA -0.854 52.203 53.050 0.010 0.000 0.864 269 N CB 1.075 39.567 38.487 0.008 0.000 1.063 269 N HN 0.387 nan 8.380 nan 0.000 0.474 270 P HA -0.066 nan 4.420 nan 0.000 0.225 270 P C 0.407 177.712 177.300 0.009 0.000 1.148 270 P CA 0.884 63.990 63.100 0.010 0.000 0.779 270 P CB 0.265 31.970 31.700 0.008 0.000 0.780 271 A N 0.343 123.168 122.820 0.009 0.000 2.115 271 A HA 0.026 4.346 4.320 -0.000 0.000 0.211 271 A C 1.444 179.034 177.584 0.011 0.000 1.169 271 A CA 0.982 53.024 52.037 0.008 0.000 0.787 271 A CB -0.518 18.487 19.000 0.007 0.000 0.858 271 A HN 0.364 nan 8.150 nan 0.000 0.474 272 N N -3.035 115.673 118.700 0.014 0.000 1.986 272 N HA 0.067 4.807 4.740 -0.000 0.000 0.227 272 N C 0.179 175.702 175.510 0.022 0.000 1.387 272 N CA 0.407 53.468 53.050 0.019 0.000 0.810 272 N CB -0.086 38.416 38.487 0.025 0.000 1.140 272 N HN 0.212 nan 8.380 nan 0.000 0.504 273 K N -0.512 119.899 120.400 0.018 0.000 3.407 273 K HA -0.191 4.129 4.320 -0.000 0.000 0.312 273 K C -0.512 176.099 176.600 0.019 0.000 1.302 273 K CA 0.958 57.256 56.287 0.017 0.000 0.931 273 K CB -1.598 30.912 32.500 0.017 0.000 1.257 273 K HN 0.394 nan 8.250 nan 0.000 0.454 274 M N 0.865 120.478 119.600 0.022 0.000 2.247 274 M HA 0.131 4.611 4.480 -0.000 0.000 0.326 274 M C 0.574 176.885 176.300 0.018 0.000 1.134 274 M CA -0.395 54.919 55.300 0.024 0.000 1.136 274 M CB 1.015 33.635 32.600 0.033 0.000 1.454 274 M HN -0.163 nan 8.290 nan 0.000 0.467 275 V N 3.852 123.778 119.914 0.021 0.000 2.450 275 V HA 0.036 4.156 4.120 -0.000 0.000 0.281 275 V C 0.322 176.415 176.094 -0.001 0.000 1.019 275 V CA 0.028 62.338 62.300 0.017 0.000 1.062 275 V CB -0.801 31.040 31.823 0.031 0.000 0.979 275 V HN 0.565 nan 8.190 nan 0.000 0.477 276 I N 5.612 126.180 120.570 -0.005 0.000 2.683 276 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 276 I C 0.092 176.180 176.117 -0.049 0.000 1.175 276 I CA 0.730 62.015 61.300 -0.026 0.000 1.429 276 I CB 0.541 38.535 38.000 -0.010 0.000 1.371 276 I HN 0.335 nan 8.210 nan 0.000 0.569 277 V N 5.955 125.810 119.914 -0.099 0.000 3.087 277 V HA 0.337 4.457 4.120 -0.000 0.000 0.306 277 V C -0.597 175.384 176.094 -0.188 0.000 1.187 277 V CA -0.734 61.477 62.300 -0.150 0.000 0.999 277 V CB 2.464 34.160 31.823 -0.213 0.000 1.049 277 V HN 0.956 nan 8.190 nan 0.000 0.431 278 N N 3.488 122.096 118.700 -0.152 0.000 2.593 278 N HA 0.380 5.120 4.740 -0.000 0.000 0.304 278 N C 0.843 176.272 175.510 -0.136 0.000 1.296 278 N CA -0.444 52.536 53.050 -0.115 0.000 0.950 278 N CB 0.368 38.827 38.487 -0.047 0.000 1.127 278 N HN 0.454 nan 8.380 nan 0.000 0.587 279 R N -1.045 119.434 120.500 -0.035 0.000 2.117 279 R HA -0.048 4.292 4.340 -0.000 0.000 0.243 279 R C 0.918 177.337 176.300 0.198 0.000 1.143 279 R CA 1.865 57.994 56.100 0.048 0.000 0.968 279 R CB -0.672 29.666 30.300 0.063 0.000 0.863 279 R HN 0.589 nan 8.270 nan 0.000 0.444 280 c N -0.233 118.488 118.600 0.202 0.000 2.625 280 c HA 0.238 4.808 4.570 -0.000 0.000 0.285 280 c C -0.180 174.206 174.090 0.493 0.000 1.279 280 c CA -0.749 55.775 56.329 0.325 0.000 1.698 280 c CB -1.552 41.111 42.510 0.254 0.000 1.821 280 c HN 0.525 nan 8.230 nan 0.000 0.600 281 F N 0.930 120.980 119.950 0.167 0.000 3.074 281 F HA -0.195 4.332 4.527 -0.000 0.000 0.287 281 F C 0.514 176.458 175.800 0.241 0.000 0.932 281 F CA 1.245 59.355 58.000 0.183 0.000 0.995 281 F CB -1.555 37.552 39.000 0.179 0.000 0.966 281 F HN 0.525 nan 8.300 nan 0.000 0.721 282 Q N 0.488 120.372 119.800 0.139 0.000 2.365 282 Q HA 0.427 4.767 4.340 -0.000 0.000 0.269 282 Q C -0.251 175.642 176.000 -0.179 0.000 1.061 282 Q CA -1.054 54.624 55.803 -0.208 0.000 0.816 282 Q CB 1.680 30.282 28.738 -0.227 0.000 1.325 282 Q HN 0.277 nan 8.270 nan 0.000 0.446 283 N N 3.754 122.319 118.700 -0.224 0.000 2.475 283 N HA 0.104 4.844 4.740 -0.000 0.000 0.267 283 N C -1.948 173.510 175.510 -0.087 0.000 1.169 283 N CA -1.143 51.849 53.050 -0.097 0.000 0.947 283 N CB 1.156 39.634 38.487 -0.015 0.000 1.061 283 N HN 0.404 nan 8.380 nan 0.000 0.466 284 P HA -0.139 nan 4.420 nan 0.000 0.216 284 P C 0.837 178.080 177.300 -0.094 0.000 1.150 284 P CA 1.479 64.538 63.100 -0.069 0.000 0.837 284 P CB 0.104 31.769 31.700 -0.059 0.000 0.786 285 T N -4.895 109.582 114.554 -0.128 0.000 2.953 285 T HA -0.023 4.327 4.350 -0.000 0.000 0.247 285 T C 0.501 174.975 174.700 -0.376 0.000 1.029 285 T CA 0.511 62.443 62.100 -0.281 0.000 1.144 285 T CB -0.955 67.678 68.868 -0.393 0.000 0.870 285 T HN -0.045 nan 8.240 nan 0.000 0.446 286 Y N 1.999 122.276 120.300 -0.038 0.000 2.504 286 Y HA 0.502 5.052 4.550 -0.000 0.000 0.339 286 Y C 1.262 177.119 175.900 -0.072 0.000 0.974 286 Y CA -1.009 57.074 58.100 -0.029 0.000 1.232 286 Y CB 1.031 39.489 38.460 -0.003 0.000 1.108 286 Y HN 0.007 nan 8.280 nan 0.000 0.509 287 K N 1.441 121.870 120.400 0.048 0.000 2.486 287 K HA -0.073 4.247 4.320 -0.000 0.000 0.194 287 K C 0.702 177.287 176.600 -0.025 0.000 1.033 287 K CA 0.841 57.109 56.287 -0.032 0.000 1.004 287 K CB -0.008 32.501 32.500 0.016 0.000 0.798 287 K HN 0.800 nan 8.250 nan 0.000 0.495 288 N N -0.110 118.648 118.700 0.096 0.000 2.280 288 N HA 0.082 4.822 4.740 -0.000 0.000 0.192 288 N C -0.032 175.612 175.510 0.224 0.000 1.109 288 N CA -0.140 53.075 53.050 0.275 0.000 0.855 288 N CB 0.332 38.927 38.487 0.181 0.000 0.974 288 N HN -0.037 nan 8.380 nan 0.000 0.482 289 I N 1.113 121.657 120.570 -0.043 0.000 2.354 289 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 289 I C -0.947 174.989 176.117 -0.303 0.000 0.989 289 I CA -0.838 60.423 61.300 -0.065 0.000 1.188 289 I CB 0.725 38.711 38.000 -0.025 0.000 1.342 289 I HN -0.063 nan 8.210 nan 0.000 0.457 290 F N 3.038 123.025 119.950 0.062 0.000 2.579 290 F HA 0.783 5.310 4.527 -0.000 0.000 0.324 290 F C 0.641 176.485 175.800 0.074 0.000 1.058 290 F CA -0.806 57.246 58.000 0.087 0.000 0.944 290 F CB 2.040 41.095 39.000 0.092 0.000 1.245 290 F HN 0.338 nan 8.300 nan 0.000 0.477 291 G N 0.279 109.272 108.800 0.322 0.000 2.617 291 G HA2 0.620 4.580 3.960 -0.000 0.000 0.306 291 G HA3 0.620 4.580 3.960 -0.000 0.000 0.306 291 G C -1.944 173.143 174.900 0.310 0.000 1.360 291 G CA -0.949 44.296 45.100 0.241 0.000 0.983 291 G HN 0.847 nan 8.290 nan 0.000 0.496 292 V N 0.294 120.320 119.914 0.186 0.000 2.760 292 V HA 1.009 5.129 4.120 -0.000 0.000 0.309 292 V C 0.476 176.620 176.094 0.083 0.000 1.077 292 V CA 0.430 62.802 62.300 0.120 0.000 0.910 292 V CB 1.139 32.979 31.823 0.028 0.000 1.008 292 V HN 2.556 nan 8.190 nan 0.000 0.424 293 G N 2.781 111.626 108.800 0.076 0.000 2.416 293 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.203 293 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.203 293 G C 0.218 175.154 174.900 0.060 0.000 1.227 293 G CA 0.065 45.190 45.100 0.042 0.000 1.041 293 G HN 1.561 nan 8.290 nan 0.000 0.546 294 V N 0.332 120.250 119.914 0.006 0.000 2.626 294 V HA -0.079 4.041 4.120 -0.000 0.000 0.252 294 V C 2.897 179.000 176.094 0.015 0.000 1.067 294 V CA 2.142 64.438 62.300 -0.007 0.000 1.081 294 V CB -0.181 31.559 31.823 -0.139 0.000 0.686 294 V HN 0.954 nan 8.190 nan 0.000 0.468 295 V N 0.924 120.846 119.914 0.013 0.000 2.970 295 V HA -0.075 4.045 4.120 -0.000 0.000 0.260 295 V C 1.524 177.652 176.094 0.056 0.000 1.100 295 V CA 1.509 63.823 62.300 0.023 0.000 1.122 295 V CB -0.577 31.254 31.823 0.014 0.000 0.721 295 V HN 0.808 nan 8.190 nan 0.000 0.483 296 T N 0.327 114.938 114.554 0.096 0.000 2.930 296 T HA 0.493 4.843 4.350 -0.000 0.000 0.306 296 T C 0.030 174.765 174.700 0.057 0.000 1.045 296 T CA -0.017 62.144 62.100 0.102 0.000 1.134 296 T CB 1.293 70.295 68.868 0.224 0.000 0.961 296 T HN 0.522 nan 8.240 nan 0.000 0.545 297 A N 4.313 127.138 122.820 0.008 0.000 2.343 297 A HA 0.594 4.914 4.320 -0.000 0.000 0.305 297 A C 0.148 177.715 177.584 -0.029 0.000 1.308 297 A CA -0.843 51.193 52.037 -0.001 0.000 0.949 297 A CB -0.519 18.475 19.000 -0.010 0.000 1.148 297 A HN 0.888 nan 8.150 nan 0.000 0.545 298 I N 4.066 124.640 120.570 0.006 0.000 2.406 298 I HA 0.308 4.478 4.170 -0.000 0.000 0.290 298 I C -2.221 173.906 176.117 0.017 0.000 0.999 298 I CA -2.205 59.096 61.300 0.002 0.000 1.124 298 I CB 2.058 40.087 38.000 0.049 0.000 1.289 298 I HN 0.418 nan 8.210 nan 0.000 0.441 299 P HA 0.165 nan 4.420 nan 0.000 0.267 299 P C -2.469 174.849 177.300 0.031 0.000 1.200 299 P CA -0.771 62.338 63.100 0.015 0.000 0.772 299 P CB -0.314 31.390 31.700 0.006 0.000 0.855 300 P HA 0.122 nan 4.420 nan 0.000 0.269 300 P C 0.935 178.262 177.300 0.046 0.000 1.209 300 P CA 0.097 63.228 63.100 0.051 0.000 0.776 300 P CB 0.411 32.143 31.700 0.052 0.000 0.876 301 I N -0.039 120.561 120.570 0.052 0.000 2.286 301 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 301 I C 1.249 177.393 176.117 0.044 0.000 1.115 301 I CA 1.527 62.850 61.300 0.037 0.000 1.392 301 I CB 0.020 38.031 38.000 0.018 0.000 1.065 301 I HN 0.455 nan 8.210 nan 0.000 0.418 302 E N 0.815 121.056 120.200 0.069 0.000 2.331 302 E HA 0.210 4.560 4.350 -0.000 0.000 0.275 302 E C -0.903 175.735 176.600 0.064 0.000 0.895 302 E CA -0.707 55.740 56.400 0.078 0.000 0.753 302 E CB 1.732 31.513 29.700 0.135 0.000 1.216 302 E HN -0.104 nan 8.360 nan 0.000 0.434 303 K N 3.024 123.449 120.400 0.041 0.000 2.267 303 K HA 0.205 4.525 4.320 -0.000 0.000 0.282 303 K C -0.640 175.963 176.600 0.005 0.000 1.078 303 K CA -0.144 56.157 56.287 0.023 0.000 0.903 303 K CB 0.623 33.134 32.500 0.018 0.000 1.111 303 K HN 0.575 nan 8.250 nan 0.000 0.475 304 T N 1.536 116.077 114.554 -0.020 0.000 2.929 304 T HA 0.320 4.670 4.350 -0.000 0.000 0.284 304 T C -1.824 172.849 174.700 -0.045 0.000 1.014 304 T CA -1.983 60.077 62.100 -0.067 0.000 1.051 304 T CB 1.465 70.227 68.868 -0.177 0.000 1.028 304 T HN 0.293 nan 8.240 nan 0.000 0.485 305 P HA 0.004 nan 4.420 nan 0.000 0.216 305 P C 0.217 177.508 177.300 -0.015 0.000 1.153 305 P CA 0.909 63.998 63.100 -0.019 0.000 0.858 305 P CB -0.006 31.688 31.700 -0.011 0.000 0.789 306 I N -0.418 120.136 120.570 -0.027 0.000 2.331 306 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 306 I C -2.389 173.719 176.117 -0.016 0.000 0.998 306 I CA -3.795 57.497 61.300 -0.013 0.000 1.267 306 I CB 0.399 38.397 38.000 -0.004 0.000 1.386 306 I HN -0.250 nan 8.210 nan 0.000 0.476 307 P HA 0.047 nan 4.420 nan 0.000 0.263 307 P C -0.354 176.961 177.300 0.025 0.000 1.175 307 P CA 0.659 63.761 63.100 0.005 0.000 0.761 307 P CB 0.500 32.201 31.700 0.002 0.000 0.794 308 T N 1.810 116.389 114.554 0.042 0.000 2.933 308 T HA 0.622 4.972 4.350 -0.000 0.000 0.305 308 T C -0.107 174.659 174.700 0.111 0.000 1.092 308 T CA -0.500 61.667 62.100 0.111 0.000 1.008 308 T CB 1.619 70.541 68.868 0.090 0.000 1.102 308 T HN 0.391 nan 8.240 nan 0.000 0.469 309 G N 0.394 109.274 108.800 0.133 0.000 2.597 309 G HA2 0.662 4.622 3.960 -0.000 0.000 0.317 309 G HA3 0.662 4.622 3.960 -0.000 0.000 0.317 309 G C -0.901 174.091 174.900 0.153 0.000 1.230 309 G CA -0.539 44.622 45.100 0.101 0.000 0.996 309 G HN 0.688 nan 8.290 nan 0.000 0.490 310 V N 1.766 121.751 119.914 0.117 0.000 2.439 310 V HA 0.597 4.716 4.120 -0.000 0.000 0.282 310 V C -1.902 174.264 176.094 0.119 0.000 1.039 310 V CA -2.019 60.351 62.300 0.117 0.000 0.913 310 V CB 1.699 33.573 31.823 0.085 0.000 0.983 310 V HN 0.627 nan 8.190 nan 0.000 0.460 311 P HA 0.363 nan 4.420 nan 0.000 0.277 311 P C -1.627 175.723 177.300 0.084 0.000 1.240 311 P CA -0.550 62.615 63.100 0.108 0.000 0.798 311 P CB 0.785 32.540 31.700 0.093 0.000 0.979 312 K N 0.826 121.276 120.400 0.082 0.000 2.449 312 K HA 0.405 4.724 4.320 -0.000 0.000 0.257 312 K C 0.392 176.999 176.600 0.012 0.000 0.989 312 K CA -0.420 55.899 56.287 0.053 0.000 0.916 312 K CB 0.927 33.469 32.500 0.069 0.000 1.136 312 K HN 0.454 nan 8.250 nan 0.000 0.439 313 T N -1.493 113.053 114.554 -0.012 0.000 2.912 313 T HA 0.357 4.707 4.350 -0.000 0.000 0.280 313 T C 1.501 176.170 174.700 -0.052 0.000 0.989 313 T CA -0.398 61.673 62.100 -0.047 0.000 0.995 313 T CB 1.525 70.352 68.868 -0.068 0.000 1.077 313 T HN 0.448 nan 8.240 nan 0.000 0.531 314 G N 0.434 109.188 108.800 -0.077 0.000 2.529 314 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 314 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 314 G C 1.430 176.323 174.900 -0.010 0.000 1.177 314 G CA 1.344 46.405 45.100 -0.066 0.000 0.773 314 G HN 0.807 nan 8.290 nan 0.000 0.573 315 M N -0.314 119.280 119.600 -0.011 0.000 2.117 315 M HA 0.052 4.532 4.480 -0.000 0.000 0.262 315 M C 2.681 178.987 176.300 0.009 0.000 1.065 315 M CA 1.424 56.736 55.300 0.021 0.000 1.114 315 M CB -0.134 32.476 32.600 0.016 0.000 1.361 315 M HN 0.279 nan 8.290 nan 0.000 0.408 316 M N -0.113 119.481 119.600 -0.010 0.000 2.106 316 M HA -0.251 4.229 4.480 -0.000 0.000 0.259 316 M C 1.909 178.173 176.300 -0.060 0.000 1.068 316 M CA 1.776 57.062 55.300 -0.024 0.000 1.100 316 M CB -0.511 32.083 32.600 -0.011 0.000 1.351 316 M HN 0.339 nan 8.290 nan 0.000 0.404 317 I N -0.623 119.922 120.570 -0.043 0.000 2.406 317 I HA -0.192 3.978 4.170 -0.000 0.000 0.249 317 I C 2.117 178.206 176.117 -0.046 0.000 1.122 317 I CA 1.023 62.289 61.300 -0.057 0.000 1.431 317 I CB -0.406 37.578 38.000 -0.027 0.000 1.087 317 I HN 0.295 nan 8.210 nan 0.000 0.424 318 E N 0.639 120.841 120.200 0.004 0.000 2.160 318 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 318 E C 2.162 178.753 176.600 -0.015 0.000 0.991 318 E CA 1.141 57.559 56.400 0.030 0.000 0.810 318 E CB -0.012 29.750 29.700 0.104 0.000 0.742 318 E HN 0.578 nan 8.360 nan 0.000 0.466 319 Q N -0.253 119.524 119.800 -0.038 0.000 2.137 319 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 319 Q C 2.162 178.084 176.000 -0.130 0.000 0.960 319 Q CA 0.860 56.630 55.803 -0.056 0.000 0.847 319 Q CB 0.017 28.736 28.738 -0.031 0.000 0.915 319 Q HN 0.296 nan 8.270 nan 0.000 0.448 320 M N 0.391 119.846 119.600 -0.241 0.000 2.082 320 M HA -0.229 4.251 4.480 -0.000 0.000 0.258 320 M C 2.411 178.576 176.300 -0.224 0.000 1.069 320 M CA 1.731 56.776 55.300 -0.426 0.000 1.102 320 M CB -0.444 31.809 32.600 -0.578 0.000 1.336 320 M HN 0.267 nan 8.290 nan 0.000 0.404 321 A N 0.148 122.883 122.820 -0.141 0.000 1.883 321 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 321 A C 2.161 179.688 177.584 -0.096 0.000 1.186 321 A CA 1.890 53.866 52.037 -0.100 0.000 0.624 321 A CB -0.704 18.252 19.000 -0.074 0.000 0.822 321 A HN 0.481 nan 8.150 nan 0.000 0.444 322 M N -0.713 118.847 119.600 -0.068 0.000 2.080 322 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 322 M C 2.567 178.884 176.300 0.029 0.000 1.068 322 M CA 1.571 56.856 55.300 -0.024 0.000 1.109 322 M CB -0.458 32.144 32.600 0.002 0.000 1.342 322 M HN 0.522 nan 8.290 nan 0.000 0.405 323 A N -0.302 122.520 122.820 0.003 0.000 1.858 323 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 323 A C 2.191 179.796 177.584 0.034 0.000 1.190 323 A CA 1.806 53.881 52.037 0.064 0.000 0.617 323 A CB -1.058 17.981 19.000 0.066 0.000 0.827 323 A HN 0.307 nan 8.150 nan 0.000 0.443 324 V N -0.112 119.762 119.914 -0.067 0.000 2.295 324 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 324 V C 3.077 178.952 176.094 -0.365 0.000 1.049 324 V CA 1.957 64.109 62.300 -0.245 0.000 1.024 324 V CB -1.263 30.443 31.823 -0.195 0.000 0.648 324 V HN 0.633 nan 8.190 nan 0.000 0.447 325 A N -1.087 121.580 122.820 -0.255 0.000 1.908 325 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 325 A C 2.131 179.531 177.584 -0.307 0.000 1.181 325 A CA 2.013 53.872 52.037 -0.295 0.000 0.627 325 A CB -0.785 18.042 19.000 -0.288 0.000 0.818 325 A HN 0.675 nan 8.150 nan 0.000 0.445 326 H N -0.437 118.537 119.070 -0.160 0.000 2.395 326 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 326 H C 1.900 177.218 175.328 -0.017 0.000 1.070 326 H CA 1.523 57.513 56.048 -0.097 0.000 1.356 326 H CB -0.261 29.392 29.762 -0.182 0.000 1.401 326 H HN 0.670 nan 8.280 nan 0.000 0.524 327 N N 0.220 118.954 118.700 0.058 0.000 2.244 327 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 327 N C 1.876 177.306 175.510 -0.133 0.000 1.016 327 N CA 0.559 53.626 53.050 0.029 0.000 0.866 327 N CB 0.189 38.718 38.487 0.069 0.000 0.980 327 N HN 0.214 nan 8.380 nan 0.000 0.430 328 I N 0.308 120.642 120.570 -0.394 0.000 2.233 328 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 328 I C 2.054 177.951 176.117 -0.367 0.000 1.093 328 I CA 0.787 61.751 61.300 -0.560 0.000 1.380 328 I CB -0.174 37.408 38.000 -0.697 0.000 1.067 328 I HN -0.030 nan 8.210 nan 0.000 0.413 329 V N 1.289 121.067 119.914 -0.226 0.000 2.407 329 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 329 V C 2.099 178.180 176.094 -0.020 0.000 1.055 329 V CA 1.863 64.095 62.300 -0.113 0.000 1.049 329 V CB -0.816 30.942 31.823 -0.109 0.000 0.662 329 V HN 0.433 nan 8.190 nan 0.000 0.455 330 N N 0.131 118.847 118.700 0.028 0.000 2.188 330 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 330 N C 1.618 177.172 175.510 0.073 0.000 1.018 330 N CA 1.604 54.703 53.050 0.082 0.000 0.858 330 N CB -0.407 38.163 38.487 0.138 0.000 0.989 330 N HN 0.603 nan 8.380 nan 0.000 0.426 331 D N 0.234 120.672 120.400 0.063 0.000 2.117 331 D HA -0.006 4.634 4.640 -0.000 0.000 0.197 331 D C 1.907 178.292 176.300 0.141 0.000 0.987 331 D CA 0.699 54.773 54.000 0.123 0.000 0.829 331 D CB -0.002 40.913 40.800 0.193 0.000 0.961 331 D HN 0.186 nan 8.370 nan 0.000 0.460 332 I N 0.079 120.711 120.570 0.103 0.000 2.208 332 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 332 I C 1.801 177.976 176.117 0.098 0.000 1.097 332 I CA 1.082 62.460 61.300 0.131 0.000 1.363 332 I CB -0.188 37.867 38.000 0.091 0.000 1.051 332 I HN -0.020 nan 8.210 nan 0.000 0.413 333 R N 2.014 122.558 120.500 0.073 0.000 2.363 333 R HA 0.026 4.366 4.340 -0.000 0.000 0.236 333 R C 0.295 176.636 176.300 0.067 0.000 0.966 333 R CA 0.148 56.287 56.100 0.065 0.000 1.100 333 R CB -0.632 29.702 30.300 0.056 0.000 1.125 333 R HN 0.470 nan 8.270 nan 0.000 0.514 334 N N 1.362 120.110 118.700 0.079 0.000 2.704 334 N HA -0.260 4.480 4.740 -0.000 0.000 0.259 334 N C -1.101 174.447 175.510 0.063 0.000 0.957 334 N CA 0.687 53.782 53.050 0.076 0.000 0.804 334 N CB -1.483 37.046 38.487 0.069 0.000 0.917 334 N HN 0.217 nan 8.380 nan 0.000 0.545 335 N N 0.989 119.729 118.700 0.067 0.000 2.422 335 N HA 0.224 4.964 4.740 -0.000 0.000 0.264 335 N C -1.313 174.230 175.510 0.055 0.000 1.063 335 N CA -1.878 51.208 53.050 0.061 0.000 0.959 335 N CB 1.072 39.605 38.487 0.075 0.000 1.087 335 N HN 0.170 nan 8.380 nan 0.000 0.483 336 P HA 0.024 nan 4.420 nan 0.000 0.229 336 P C -0.582 176.717 177.300 -0.003 0.000 1.160 336 P CA 0.409 63.524 63.100 0.024 0.000 0.777 336 P CB 0.286 31.994 31.700 0.015 0.000 0.814 337 D N 1.394 121.780 120.400 -0.024 0.000 2.425 337 D HA 0.151 4.791 4.640 -0.000 0.000 0.247 337 D C 0.545 176.752 176.300 -0.155 0.000 1.147 337 D CA 0.747 54.674 54.000 -0.122 0.000 0.879 337 D CB 0.760 41.478 40.800 -0.136 0.000 1.179 337 D HN 0.102 nan 8.370 nan 0.000 0.456 338 K N 1.662 121.898 120.400 -0.274 0.000 2.395 338 K HA 0.471 4.791 4.320 -0.000 0.000 0.247 338 K C -1.062 175.298 176.600 -0.401 0.000 0.973 338 K CA -0.871 55.308 56.287 -0.180 0.000 0.828 338 K CB 1.899 34.398 32.500 -0.003 0.000 1.272 338 K HN 0.332 nan 8.250 nan 0.000 0.439 339 Y N -0.227 120.117 120.300 0.073 0.000 2.425 339 Y HA 0.488 5.038 4.550 -0.000 0.000 0.344 339 Y C -0.213 175.748 175.900 0.102 0.000 0.969 339 Y CA -0.912 57.224 58.100 0.060 0.000 1.052 339 Y CB 2.279 40.754 38.460 0.026 0.000 1.215 339 Y HN 0.638 nan 8.280 nan 0.000 0.451 340 A N 4.765 127.730 122.820 0.242 0.000 2.324 340 A HA 0.793 5.113 4.320 -0.000 0.000 0.330 340 A C -2.782 174.913 177.584 0.186 0.000 1.165 340 A CA -2.054 50.119 52.037 0.227 0.000 0.813 340 A CB 0.772 19.884 19.000 0.186 0.000 1.197 340 A HN 0.418 nan 8.150 nan 0.000 0.484 341 P HA 0.229 nan 4.420 nan 0.000 0.277 341 P C 0.204 177.559 177.300 0.092 0.000 1.240 341 P CA -0.309 62.826 63.100 0.059 0.000 0.798 341 P CB 1.104 32.744 31.700 -0.099 0.000 0.979 342 R N 2.751 123.300 120.500 0.082 0.000 2.148 342 R HA 0.075 4.415 4.340 -0.000 0.000 0.223 342 R C 0.874 177.212 176.300 0.063 0.000 1.088 342 R CA 0.862 57.013 56.100 0.084 0.000 0.985 342 R CB -1.235 29.125 30.300 0.100 0.000 0.880 342 R HN 0.474 nan 8.270 nan 0.000 0.451 343 L N 1.683 122.933 121.223 0.045 0.000 3.597 343 L HA -0.251 4.089 4.340 -0.000 0.000 0.440 343 L C -0.398 176.478 176.870 0.010 0.000 1.277 343 L CA 0.434 55.293 54.840 0.032 0.000 0.852 343 L CB -2.431 39.671 42.059 0.071 0.000 1.708 343 L HN 0.403 nan 8.230 nan 0.000 0.885 344 S N -1.039 114.669 115.700 0.013 0.000 2.693 344 S HA 0.907 5.377 4.470 -0.000 0.000 0.276 344 S C 0.121 174.720 174.600 -0.002 0.000 1.192 344 S CA -0.135 58.051 58.200 -0.023 0.000 0.994 344 S CB 2.653 65.867 63.200 0.024 0.000 1.012 344 S HN 0.757 nan 8.310 nan 0.000 0.550 345 A N 0.653 123.454 122.820 -0.031 0.000 2.488 345 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 345 A C -1.025 176.601 177.584 0.070 0.000 1.045 345 A CA -0.733 51.302 52.037 -0.005 0.000 0.703 345 A CB 0.745 19.706 19.000 -0.065 0.000 1.271 345 A HN 0.798 nan 8.150 nan 0.000 0.400 346 I N 1.757 122.352 120.570 0.042 0.000 2.312 346 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 346 I C -0.440 175.531 176.117 -0.243 0.000 1.008 346 I CA -0.295 60.934 61.300 -0.118 0.000 1.226 346 I CB 1.241 39.115 38.000 -0.210 0.000 1.371 346 I HN 0.606 nan 8.210 nan 0.000 0.468 347 C N 7.403 126.536 119.300 -0.279 0.000 2.456 347 C HA 0.631 5.091 4.460 -0.000 0.000 0.325 347 C C -0.063 174.792 174.990 -0.225 0.000 1.217 347 C CA -0.511 58.380 59.018 -0.213 0.000 1.687 347 C CB 1.071 28.712 27.740 -0.166 0.000 2.270 347 C HN 0.560 nan 8.230 nan 0.000 0.499 348 I N 3.540 124.014 120.570 -0.159 0.000 2.436 348 I HA 0.500 4.670 4.170 -0.000 0.000 0.289 348 I C 0.160 176.224 176.117 -0.088 0.000 1.010 348 I CA -0.201 61.017 61.300 -0.136 0.000 1.098 348 I CB 1.501 39.438 38.000 -0.105 0.000 1.266 348 I HN 0.705 nan 8.210 nan 0.000 0.434 349 A N 4.585 127.327 122.820 -0.130 0.000 2.253 349 A HA 0.388 4.708 4.320 -0.000 0.000 0.316 349 A C -0.597 176.628 177.584 -0.598 0.000 1.327 349 A CA -0.476 51.453 52.037 -0.179 0.000 0.917 349 A CB 0.349 19.375 19.000 0.043 0.000 1.162 349 A HN 0.657 nan 8.150 nan 0.000 0.535 350 D N 1.715 121.945 120.400 -0.282 0.000 2.350 350 D HA 0.390 5.029 4.640 -0.000 0.000 0.249 350 D C -0.188 176.017 176.300 -0.159 0.000 1.119 350 D CA -0.006 53.870 54.000 -0.207 0.000 0.886 350 D CB 0.333 41.242 40.800 0.183 0.000 1.195 350 D HN 0.343 nan 8.370 nan 0.000 0.437 351 F N 1.089 121.088 119.950 0.080 0.000 2.706 351 F HA 0.367 4.894 4.527 -0.000 0.000 0.313 351 F C 1.662 177.441 175.800 -0.034 0.000 1.096 351 F CA 0.108 58.143 58.000 0.059 0.000 1.219 351 F CB 0.608 39.646 39.000 0.064 0.000 1.051 351 F HN 0.593 nan 8.300 nan 0.000 0.568 352 G N 1.281 110.050 108.800 -0.051 0.000 2.083 352 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.199 352 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.199 352 G C 0.889 175.152 174.900 -1.061 0.000 2.367 352 G CA 0.143 44.859 45.100 -0.638 0.000 1.555 352 G HN 0.314 nan 8.290 nan 0.000 0.490 353 E N 1.125 120.790 120.200 -0.892 0.000 2.526 353 E HA 0.331 4.681 4.350 -0.000 0.000 0.208 353 E C -0.015 176.310 176.600 -0.458 0.000 0.997 353 E CA 0.644 56.573 56.400 -0.786 0.000 0.961 353 E CB 0.495 29.986 29.700 -0.348 0.000 1.030 353 E HN 0.568 nan 8.360 nan 0.000 0.483 354 D N 0.631 120.888 120.400 -0.239 0.000 2.636 354 D HA 0.685 5.325 4.640 -0.000 0.000 0.275 354 D C -0.838 175.422 176.300 -0.066 0.000 1.130 354 D CA -0.999 52.956 54.000 -0.075 0.000 1.031 354 D CB 1.397 42.225 40.800 0.048 0.000 1.451 354 D HN 0.088 nan 8.370 nan 0.000 0.505 355 A N -1.169 121.547 122.820 -0.174 0.000 2.610 355 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 355 A C -0.596 176.702 177.584 -0.476 0.000 1.086 355 A CA -0.473 51.225 52.037 -0.566 0.000 0.677 355 A CB 1.427 20.170 19.000 -0.428 0.000 1.278 355 A HN 0.848 nan 8.150 nan 0.000 0.414 356 G N -0.515 107.900 108.800 -0.643 0.000 2.379 356 G HA2 0.582 4.542 3.960 -0.000 0.000 0.327 356 G HA3 0.582 4.542 3.960 -0.000 0.000 0.327 356 G C -1.148 173.433 174.900 -0.532 0.000 1.145 356 G CA -0.373 44.485 45.100 -0.404 0.000 0.905 356 G HN 1.024 nan 8.290 nan 0.000 0.466 357 F N 2.770 122.265 119.950 -0.758 0.000 2.426 357 F HA 0.733 5.260 4.527 -0.000 0.000 0.348 357 F C -1.415 174.010 175.800 -0.624 0.000 1.124 357 F CA -1.355 56.318 58.000 -0.545 0.000 1.008 357 F CB 1.128 39.915 39.000 -0.355 0.000 1.139 357 F HN 0.291 nan 8.300 nan 0.000 0.452 358 F N 7.381 127.063 119.950 -0.447 0.000 2.493 358 F HA 0.440 4.967 4.527 -0.000 0.000 0.329 358 F C -0.995 174.579 175.800 -0.377 0.000 1.126 358 F CA -1.027 56.811 58.000 -0.270 0.000 0.937 358 F CB 1.638 40.504 39.000 -0.224 0.000 1.146 358 F HN 0.392 nan 8.300 nan 0.000 0.442 359 F N 2.565 122.435 119.950 -0.134 0.000 2.520 359 F HA 0.850 5.377 4.527 -0.000 0.000 0.322 359 F C -1.097 174.705 175.800 0.004 0.000 1.103 359 F CA -0.720 57.213 58.000 -0.112 0.000 0.926 359 F CB 1.323 40.318 39.000 -0.009 0.000 1.154 359 F HN 0.570 nan 8.300 nan 0.000 0.453 360 A N 4.523 126.914 122.820 -0.714 0.000 2.402 360 A HA 0.493 4.813 4.320 -0.000 0.000 0.291 360 A C -2.050 175.074 177.584 -0.767 0.000 1.051 360 A CA -0.529 51.136 52.037 -0.620 0.000 0.716 360 A CB 1.276 20.119 19.000 -0.263 0.000 1.223 360 A HN 0.668 nan 8.150 nan 0.000 0.425 361 D N 3.574 123.567 120.400 -0.678 0.000 2.440 361 D HA 0.593 5.233 4.640 -0.000 0.000 0.252 361 D C -2.806 173.401 176.300 -0.156 0.000 1.180 361 D CA -1.426 52.343 54.000 -0.386 0.000 0.894 361 D CB 2.232 42.850 40.800 -0.303 0.000 1.111 361 D HN 0.224 nan 8.370 nan 0.000 0.544 362 P HA 0.108 nan 4.420 nan 0.000 0.276 362 P C 1.048 178.283 177.300 -0.108 0.000 1.261 362 P CA -0.672 62.376 63.100 -0.087 0.000 0.800 362 P CB 1.061 32.749 31.700 -0.020 0.000 1.066 363 V N 0.212 120.072 119.914 -0.090 0.000 2.287 363 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 363 V C 1.289 177.356 176.094 -0.044 0.000 1.053 363 V CA 1.602 63.856 62.300 -0.077 0.000 1.027 363 V CB -0.890 30.901 31.823 -0.054 0.000 0.646 363 V HN 0.416 nan 8.190 nan 0.000 0.447 364 I N 2.192 122.753 120.570 -0.015 0.000 2.379 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 364 I C -2.141 173.972 176.117 -0.007 0.000 1.063 364 I CA -1.640 59.660 61.300 -0.000 0.000 1.351 364 I CB 0.620 38.636 38.000 0.027 0.000 1.410 364 I HN 0.152 nan 8.210 nan 0.000 0.505 365 P HA 0.146 nan 4.420 nan 0.000 0.272 365 P C -2.357 174.943 177.300 -0.001 0.000 1.240 365 P CA -0.988 62.105 63.100 -0.012 0.000 0.791 365 P CB -0.369 31.323 31.700 -0.013 0.000 0.978 366 P HA 0.152 nan 4.420 nan 0.000 0.268 366 P C -0.511 176.783 177.300 -0.011 0.000 1.205 366 P CA 0.216 63.313 63.100 -0.004 0.000 0.771 366 P CB 0.754 32.455 31.700 0.001 0.000 0.858 367 R N 1.515 122.004 120.500 -0.018 0.000 2.407 367 R HA 0.167 4.507 4.340 -0.000 0.000 0.303 367 R C 1.076 177.366 176.300 -0.017 0.000 0.981 367 R CA -0.548 55.533 56.100 -0.032 0.000 0.905 367 R CB 1.219 31.486 30.300 -0.054 0.000 1.099 367 R HN 0.460 nan 8.270 nan 0.000 0.459 368 E N 2.453 122.644 120.200 -0.015 0.000 2.047 368 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 368 E C -0.045 176.565 176.600 0.018 0.000 0.987 368 E CA 1.375 57.780 56.400 0.010 0.000 0.799 368 E CB 0.383 30.099 29.700 0.027 0.000 0.752 368 E HN 0.550 nan 8.360 nan 0.000 0.449 369 R N -1.962 118.535 120.500 -0.005 0.000 2.712 369 R HA 0.494 4.834 4.340 -0.000 0.000 0.272 369 R C -1.445 174.827 176.300 -0.047 0.000 1.032 369 R CA -0.552 55.563 56.100 0.025 0.000 0.874 369 R CB 1.049 31.419 30.300 0.115 0.000 1.256 369 R HN -0.024 nan 8.270 nan 0.000 0.468 370 V N -1.348 118.588 119.914 0.035 0.000 3.078 370 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 370 V C -0.727 175.496 176.094 0.215 0.000 1.138 370 V CA -0.997 61.331 62.300 0.046 0.000 1.007 370 V CB 2.183 34.023 31.823 0.028 0.000 1.045 370 V HN 0.808 nan 8.190 nan 0.000 0.432 371 I N 1.177 121.936 120.570 0.315 0.000 2.619 371 I HA 0.679 4.849 4.170 -0.000 0.000 0.292 371 I C -0.652 175.652 176.117 0.313 0.000 1.100 371 I CA -0.363 61.141 61.300 0.340 0.000 1.043 371 I CB 2.712 40.987 38.000 0.459 0.000 1.239 371 I HN 0.758 nan 8.210 nan 0.000 0.420 372 T N 5.107 119.800 114.554 0.232 0.000 2.965 372 T HA 0.488 4.838 4.350 -0.000 0.000 0.306 372 T C -0.652 174.101 174.700 0.088 0.000 0.991 372 T CA -0.741 61.445 62.100 0.144 0.000 1.001 372 T CB 1.193 70.176 68.868 0.191 0.000 0.984 372 T HN 0.483 nan 8.240 nan 0.000 0.446 373 K N 2.266 122.685 120.400 0.032 0.000 2.469 373 K HA 0.780 5.100 4.320 -0.000 0.000 0.268 373 K C -1.292 175.283 176.600 -0.041 0.000 1.027 373 K CA -1.008 55.324 56.287 0.074 0.000 0.893 373 K CB 2.914 35.544 32.500 0.217 0.000 1.460 373 K HN 0.434 nan 8.250 nan 0.000 0.449 374 M N 0.574 120.185 119.600 0.018 0.000 2.365 374 M HA 0.567 5.047 4.480 -0.000 0.000 0.288 374 M C -1.674 174.604 176.300 -0.038 0.000 1.152 374 M CA -0.166 55.097 55.300 -0.061 0.000 0.948 374 M CB 2.273 34.898 32.600 0.041 0.000 1.729 374 M HN 0.805 nan 8.290 nan 0.000 0.487 375 G N 2.555 111.213 108.800 -0.237 0.000 2.356 375 G HA2 0.212 4.172 3.960 -0.000 0.000 0.294 375 G HA3 0.212 4.172 3.960 -0.000 0.000 0.294 375 G C -0.796 173.981 174.900 -0.205 0.000 1.423 375 G CA -0.646 44.373 45.100 -0.135 0.000 0.806 375 G HN 0.776 nan 8.290 nan 0.000 0.527 376 K N -0.346 120.077 120.400 0.039 0.000 2.097 376 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 376 K C 2.271 179.015 176.600 0.239 0.000 1.049 376 K CA 2.087 58.457 56.287 0.138 0.000 0.933 376 K CB -0.118 32.552 32.500 0.282 0.000 0.717 376 K HN 0.707 nan 8.250 nan 0.000 0.442 377 W N 0.973 122.430 121.300 0.262 0.000 2.325 377 W HA -0.168 4.492 4.660 -0.000 0.000 0.299 377 W C 1.571 178.253 176.519 0.272 0.000 1.215 377 W CA 1.036 58.550 57.345 0.281 0.000 1.244 377 W CB -0.783 28.760 29.460 0.139 0.000 1.140 377 W HN -0.019 nan 8.180 nan 0.000 0.523 378 A N 0.734 123.064 122.820 -0.815 0.000 2.014 378 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 378 A C 2.165 179.626 177.584 -0.206 0.000 1.163 378 A CA 1.598 53.175 52.037 -0.767 0.000 0.652 378 A CB -1.437 16.884 19.000 -1.132 0.000 0.808 378 A HN 0.605 nan 8.150 nan 0.000 0.449 379 H N -1.572 117.339 119.070 -0.264 0.000 2.326 379 H HA -0.165 4.391 4.556 -0.000 0.000 0.301 379 H C 1.733 176.941 175.328 -0.200 0.000 1.081 379 H CA 2.100 57.983 56.048 -0.273 0.000 1.334 379 H CB -0.150 29.343 29.762 -0.448 0.000 1.385 379 H HN 0.554 nan 8.280 nan 0.000 0.504 380 Y N -0.577 119.703 120.300 -0.032 0.000 2.352 380 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 380 Y C 2.591 178.492 175.900 0.002 0.000 1.136 380 Y CA 0.915 58.981 58.100 -0.056 0.000 1.227 380 Y CB -0.735 37.760 38.460 0.058 0.000 0.991 380 Y HN 0.168 nan 8.280 nan 0.000 0.545 381 F N 0.695 120.729 119.950 0.141 0.000 2.186 381 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 381 F C 2.429 178.297 175.800 0.115 0.000 1.090 381 F CA 1.384 59.474 58.000 0.150 0.000 1.307 381 F CB -0.019 39.114 39.000 0.223 0.000 1.019 381 F HN -0.108 nan 8.300 nan 0.000 0.489 382 K N -0.551 120.006 120.400 0.261 0.000 2.103 382 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 382 K C 1.794 178.489 176.600 0.158 0.000 1.052 382 K CA 1.715 58.133 56.287 0.217 0.000 0.945 382 K CB -0.131 32.433 32.500 0.106 0.000 0.722 382 K HN 0.163 nan 8.250 nan 0.000 0.443 383 T N 0.635 115.183 114.554 -0.010 0.000 2.821 383 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 383 T C 1.878 176.595 174.700 0.028 0.000 1.046 383 T CA 1.165 63.244 62.100 -0.035 0.000 1.139 383 T CB -0.222 68.570 68.868 -0.128 0.000 0.871 383 T HN 0.337 nan 8.240 nan 0.000 0.454 384 A N 1.157 123.998 122.820 0.035 0.000 1.902 384 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 384 A C 2.017 179.666 177.584 0.109 0.000 1.181 384 A CA 1.279 53.315 52.037 -0.001 0.000 0.623 384 A CB -0.970 17.932 19.000 -0.162 0.000 0.818 384 A HN 0.465 nan 8.150 nan 0.000 0.443 385 F N 0.766 120.781 119.950 0.109 0.000 2.146 385 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 385 F C 2.154 178.074 175.800 0.200 0.000 1.096 385 F CA 1.912 60.065 58.000 0.254 0.000 1.275 385 F CB -0.281 38.930 39.000 0.351 0.000 1.008 385 F HN 0.460 nan 8.300 nan 0.000 0.480 386 E N 0.408 120.659 120.200 0.085 0.000 2.065 386 E HA -0.290 4.060 4.350 -0.000 0.000 0.201 386 E C 2.112 178.484 176.600 -0.380 0.000 1.016 386 E CA 1.752 57.977 56.400 -0.292 0.000 0.818 386 E CB -0.049 29.642 29.700 -0.015 0.000 0.749 386 E HN 0.193 nan 8.360 nan 0.000 0.453 387 K N -0.026 120.288 120.400 -0.144 0.000 2.063 387 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 387 K C 2.078 178.648 176.600 -0.050 0.000 1.048 387 K CA 1.402 57.638 56.287 -0.085 0.000 0.928 387 K CB -0.839 31.643 32.500 -0.030 0.000 0.713 387 K HN 0.381 nan 8.250 nan 0.000 0.442 388 Y N 0.237 120.422 120.300 -0.192 0.000 2.220 388 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 388 Y C 2.180 177.974 175.900 -0.178 0.000 1.129 388 Y CA 1.073 59.079 58.100 -0.157 0.000 1.161 388 Y CB -0.570 37.818 38.460 -0.119 0.000 0.997 388 Y HN -0.009 nan 8.280 nan 0.000 0.522 389 F N 0.089 119.590 119.950 -0.750 0.000 2.171 389 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 389 F C 1.912 177.428 175.800 -0.474 0.000 1.090 389 F CA 1.545 59.095 58.000 -0.750 0.000 1.293 389 F CB -0.321 38.221 39.000 -0.762 0.000 1.013 389 F HN 0.048 nan 8.300 nan 0.000 0.486 390 L N -1.606 119.441 121.223 -0.294 0.000 2.141 390 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 390 L C 2.176 178.954 176.870 -0.153 0.000 1.094 390 L CA 1.349 56.085 54.840 -0.174 0.000 0.763 390 L CB -0.839 41.142 42.059 -0.130 0.000 0.908 390 L HN 0.367 nan 8.230 nan 0.000 0.437 391 W N 1.353 122.474 121.300 -0.298 0.000 2.358 391 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 391 W C 2.485 178.813 176.519 -0.318 0.000 1.208 391 W CA 1.533 58.733 57.345 -0.241 0.000 1.274 391 W CB 0.068 29.426 29.460 -0.169 0.000 1.138 391 W HN -0.091 nan 8.180 nan 0.000 0.515 392 K N -0.349 119.870 120.400 -0.302 0.000 2.063 392 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 392 K C 1.762 178.048 176.600 -0.524 0.000 1.048 392 K CA 1.930 57.912 56.287 -0.507 0.000 0.928 392 K CB -0.863 31.202 32.500 -0.725 0.000 0.713 392 K HN 0.122 nan 8.250 nan 0.000 0.442 393 V N 1.440 121.022 119.914 -0.552 0.000 2.343 393 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 393 V C 2.173 178.173 176.094 -0.157 0.000 1.051 393 V CA 1.658 63.731 62.300 -0.378 0.000 1.036 393 V CB -0.478 31.023 31.823 -0.536 0.000 0.654 393 V HN 0.287 nan 8.190 nan 0.000 0.451 394 R N 0.045 120.394 120.500 -0.251 0.000 2.235 394 R HA -0.032 4.308 4.340 -0.000 0.000 0.213 394 R C 1.214 177.376 176.300 -0.231 0.000 1.059 394 R CA 1.176 57.162 56.100 -0.190 0.000 0.997 394 R CB -0.144 30.026 30.300 -0.217 0.000 0.884 394 R HN 0.555 nan 8.270 nan 0.000 0.462 395 N N -1.373 117.023 118.700 -0.507 0.000 2.171 395 N HA 0.111 4.851 4.740 -0.000 0.000 0.212 395 N C 0.165 175.215 175.510 -0.766 0.000 1.184 395 N CA 0.551 53.225 53.050 -0.626 0.000 0.888 395 N CB 1.817 39.564 38.487 -1.233 0.000 1.038 395 N HN 0.195 nan 8.380 nan 0.000 0.517 396 G N 1.040 109.168 108.800 -1.120 0.000 2.182 396 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 396 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 396 G C -0.393 173.762 174.900 -1.243 0.000 1.042 396 G CA -0.174 43.636 45.100 -2.150 0.000 0.775 396 G HN 0.358 nan 8.290 nan 0.000 0.501 397 N N -0.205 118.095 118.700 -0.666 0.000 2.594 397 N HA 0.385 5.125 4.740 -0.000 0.000 0.280 397 N C 1.009 176.398 175.510 -0.201 0.000 1.156 397 N CA -0.828 52.017 53.050 -0.341 0.000 0.831 397 N CB 0.719 39.064 38.487 -0.236 0.000 1.379 397 N HN -0.086 nan 8.380 nan 0.000 0.536 398 I N 0.593 121.102 120.570 -0.102 0.000 3.226 398 I HA 0.188 4.358 4.170 -0.000 0.000 0.277 398 I C 0.867 176.924 176.117 -0.100 0.000 1.243 398 I CA 0.497 61.697 61.300 -0.167 0.000 1.459 398 I CB -0.622 37.281 38.000 -0.162 0.000 1.093 398 I HN 0.506 nan 8.210 nan 0.000 0.453 399 A N 3.258 126.031 122.820 -0.078 0.000 3.204 399 A HA 0.510 4.830 4.320 -0.000 0.000 0.327 399 A C -2.386 175.152 177.584 -0.077 0.000 0.998 399 A CA -1.014 50.985 52.037 -0.064 0.000 0.891 399 A CB -0.387 18.582 19.000 -0.051 0.000 1.061 399 A HN -0.049 nan 8.150 nan 0.000 0.478 400 P HA 0.077 nan 4.420 nan 0.000 0.271 400 P C 1.142 178.357 177.300 -0.142 0.000 1.216 400 P CA 0.287 63.355 63.100 -0.055 0.000 0.776 400 P CB 1.290 33.023 31.700 0.054 0.000 0.881 401 S N 2.594 118.286 115.700 -0.012 0.000 2.419 401 S HA -0.207 4.263 4.470 -0.000 0.000 0.233 401 S C 1.739 176.347 174.600 0.012 0.000 1.016 401 S CA 0.942 59.139 58.200 -0.005 0.000 0.974 401 S CB -1.479 61.746 63.200 0.042 0.000 0.786 401 S HN 0.537 nan 8.310 nan 0.000 0.492 402 F N 1.880 121.857 119.950 0.045 0.000 2.269 402 F HA 0.155 4.682 4.527 -0.000 0.000 0.301 402 F C 2.166 177.999 175.800 0.055 0.000 1.082 402 F CA 1.113 59.137 58.000 0.041 0.000 1.360 402 F CB -0.644 38.373 39.000 0.029 0.000 1.041 402 F HN 0.260 nan 8.300 nan 0.000 0.512 403 E N 0.683 120.405 120.200 -0.796 0.000 2.072 403 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 403 E C 2.245 178.754 176.600 -0.151 0.000 0.985 403 E CA 1.193 57.291 56.400 -0.503 0.000 0.801 403 E CB -0.255 29.175 29.700 -0.450 0.000 0.750 403 E HN 0.703 nan 8.360 nan 0.000 0.452 404 E N 0.586 120.709 120.200 -0.127 0.000 2.085 404 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 404 E C 1.940 178.519 176.600 -0.035 0.000 0.994 404 E CA 1.305 57.656 56.400 -0.082 0.000 0.801 404 E CB 0.130 29.762 29.700 -0.114 0.000 0.743 404 E HN 0.111 nan 8.360 nan 0.000 0.453 405 K N -0.120 120.280 120.400 -0.001 0.000 2.057 405 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 405 K C 2.156 178.805 176.600 0.082 0.000 1.049 405 K CA 1.347 57.660 56.287 0.043 0.000 0.931 405 K CB -0.002 32.541 32.500 0.073 0.000 0.714 405 K HN 0.048 nan 8.250 nan 0.000 0.440 406 V N 1.374 121.363 119.914 0.126 0.000 2.358 406 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 406 V C 2.108 178.343 176.094 0.234 0.000 1.047 406 V CA 1.315 63.749 62.300 0.223 0.000 1.035 406 V CB -0.326 31.642 31.823 0.242 0.000 0.658 406 V HN 0.215 nan 8.190 nan 0.000 0.452 407 L N -0.082 121.213 121.223 0.119 0.000 2.127 407 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 407 L C 2.380 179.299 176.870 0.082 0.000 1.089 407 L CA 1.848 56.738 54.840 0.084 0.000 0.757 407 L CB -1.039 41.043 42.059 0.039 0.000 0.899 407 L HN 0.459 nan 8.230 nan 0.000 0.434 408 E N -0.300 119.940 120.200 0.067 0.000 2.076 408 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 408 E C 2.229 178.851 176.600 0.037 0.000 0.979 408 E CA 1.085 57.517 56.400 0.054 0.000 0.807 408 E CB -0.010 29.714 29.700 0.040 0.000 0.761 408 E HN 0.548 nan 8.360 nan 0.000 0.454 409 I N -1.812 118.769 120.570 0.018 0.000 2.546 409 I HA -0.085 4.085 4.170 -0.000 0.000 0.255 409 I C 1.533 177.531 176.117 -0.198 0.000 1.163 409 I CA 1.268 62.511 61.300 -0.096 0.000 1.457 409 I CB -0.162 37.747 38.000 -0.152 0.000 1.092 409 I HN -0.031 nan 8.210 nan 0.000 0.434 410 F N 0.297 120.226 119.950 -0.036 0.000 2.446 410 F HA 0.342 4.869 4.527 -0.000 0.000 0.292 410 F C 1.626 177.366 175.800 -0.101 0.000 1.096 410 F CA 0.901 58.860 58.000 -0.068 0.000 1.438 410 F CB 0.199 39.155 39.000 -0.073 0.000 1.107 410 F HN -0.046 nan 8.300 nan 0.000 0.546 411 L N -1.059 120.202 121.223 0.063 0.000 3.259 411 L HA 0.217 4.557 4.340 -0.000 0.000 0.292 411 L C 0.275 177.178 176.870 0.056 0.000 1.219 411 L CA -0.029 54.773 54.840 -0.064 0.000 1.035 411 L CB 0.125 41.950 42.059 -0.390 0.000 1.424 411 L HN -0.108 nan 8.230 nan 0.000 0.603 412 K N 0.232 120.675 120.400 0.072 0.000 3.020 412 K HA -0.187 4.133 4.320 -0.000 0.000 0.266 412 K C 0.085 176.772 176.600 0.145 0.000 1.067 412 K CA 0.790 57.137 56.287 0.100 0.000 0.780 412 K CB -1.692 30.867 32.500 0.098 0.000 1.220 412 K HN 0.224 nan 8.250 nan 0.000 0.483 413 V N 0.896 120.898 119.914 0.148 0.000 2.465 413 V HA 0.283 4.403 4.120 -0.000 0.000 0.279 413 V C 0.001 176.183 176.094 0.147 0.000 1.045 413 V CA -0.504 61.904 62.300 0.180 0.000 0.938 413 V CB 1.266 33.216 31.823 0.212 0.000 0.986 413 V HN 0.296 nan 8.190 nan 0.000 0.467 414 H N 8.080 127.198 119.070 0.080 0.000 2.466 414 H HA 0.540 5.096 4.556 -0.000 0.000 0.338 414 H C -2.089 173.270 175.328 0.051 0.000 1.091 414 H CA -1.806 54.275 56.048 0.055 0.000 1.207 414 H CB 2.751 32.541 29.762 0.047 0.000 1.466 414 H HN 0.566 nan 8.280 nan 0.000 0.493 415 P HA 0.011 nan 4.420 nan 0.000 0.220 415 P C 0.409 177.788 177.300 0.133 0.000 1.152 415 P CA 0.852 63.994 63.100 0.070 0.000 0.812 415 P CB 1.079 32.765 31.700 -0.022 0.000 0.792 416 I N -4.030 116.685 120.570 0.242 0.000 2.969 416 I HA 0.598 4.768 4.170 -0.000 0.000 0.307 416 I C -1.209 175.041 176.117 0.221 0.000 1.149 416 I CA -1.348 60.064 61.300 0.187 0.000 1.008 416 I CB 2.940 40.983 38.000 0.071 0.000 1.232 416 I HN -0.304 nan 8.210 nan 0.000 0.435 417 E N 3.622 123.947 120.200 0.208 0.000 2.317 417 E HA 0.491 4.841 4.350 -0.000 0.000 0.270 417 E C -1.329 175.373 176.600 0.170 0.000 0.885 417 E CA -1.016 55.471 56.400 0.144 0.000 0.760 417 E CB 3.216 32.953 29.700 0.061 0.000 1.227 417 E HN 0.516 nan 8.360 nan 0.000 0.434 418 L N 1.637 122.882 121.223 0.035 0.000 2.513 418 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 418 L C -0.363 176.439 176.870 -0.113 0.000 1.187 418 L CA -0.062 54.660 54.840 -0.197 0.000 0.895 418 L CB 0.333 42.279 42.059 -0.188 0.000 1.147 418 L HN 0.561 nan 8.230 nan 0.000 0.483 419 c N 5.538 124.055 118.600 -0.138 0.000 2.271 419 c HA 0.238 4.808 4.570 -0.000 0.000 0.323 419 c C 1.357 175.409 174.090 -0.063 0.000 1.245 419 c CA -1.005 55.291 56.329 -0.054 0.000 1.548 419 c CB 0.244 42.756 42.510 0.003 0.000 2.214 419 c HN 0.976 nan 8.230 nan 0.000 0.477 420 K N 2.050 122.424 120.400 -0.043 0.000 2.432 420 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 420 K C -0.230 176.358 176.600 -0.019 0.000 1.038 420 K CA 0.768 57.033 56.287 -0.037 0.000 0.986 420 K CB 0.260 32.743 32.500 -0.030 0.000 0.782 420 K HN 0.582 nan 8.250 nan 0.000 0.485 421 D N -0.335 120.059 120.400 -0.009 0.000 2.452 421 D HA 0.162 4.802 4.640 -0.000 0.000 0.226 421 D C -0.200 176.106 176.300 0.010 0.000 1.366 421 D CA -0.785 53.214 54.000 -0.000 0.000 0.986 421 D CB 0.910 41.709 40.800 -0.002 0.000 1.420 421 D HN 0.061 nan 8.370 nan 0.000 0.583 422 c N 2.303 120.913 118.600 0.017 0.000 2.456 422 c HA 0.046 4.616 4.570 -0.000 0.000 0.279 422 c C 0.970 175.068 174.090 0.013 0.000 1.427 422 c CA 0.040 56.387 56.329 0.030 0.000 1.778 422 c CB -0.774 41.766 42.510 0.049 0.000 1.842 422 c HN 0.505 nan 8.230 nan 0.000 0.531 423 E N 1.128 121.330 120.200 0.003 0.000 1.939 423 E HA 0.402 4.752 4.350 -0.000 0.000 0.259 423 E C 0.526 177.120 176.600 -0.010 0.000 1.259 423 E CA 0.124 56.519 56.400 -0.008 0.000 0.971 423 E CB -0.142 29.553 29.700 -0.009 0.000 1.055 423 E HN 0.679 nan 8.360 nan 0.000 0.420 424 G N 1.173 109.963 108.800 -0.017 0.000 2.316 424 G HA2 0.355 4.315 3.960 -0.000 0.000 0.296 424 G HA3 0.355 4.315 3.960 -0.000 0.000 0.296 424 G C -1.088 173.790 174.900 -0.037 0.000 1.399 424 G CA -0.506 44.582 45.100 -0.020 0.000 0.833 424 G HN 0.483 nan 8.290 nan 0.000 0.565 425 A N 1.126 123.923 122.820 -0.037 0.000 2.531 425 A HA 0.588 4.908 4.320 -0.000 0.000 0.236 425 A C -1.681 175.858 177.584 -0.074 0.000 1.062 425 A CA -0.365 51.638 52.037 -0.057 0.000 0.760 425 A CB -0.377 18.601 19.000 -0.037 0.000 0.995 425 A HN 0.523 nan 8.150 nan 0.000 0.501 426 P HA 0.190 nan 4.420 nan 0.000 0.264 426 P C 0.954 178.235 177.300 -0.031 0.000 1.193 426 P CA 1.503 64.482 63.100 -0.201 0.000 0.763 426 P CB 0.788 32.172 31.700 -0.526 0.000 0.810 427 G N 2.103 110.945 108.800 0.070 0.000 2.258 427 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.233 427 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.233 427 G C 0.330 175.264 174.900 0.056 0.000 1.006 427 G CA 0.272 45.425 45.100 0.089 0.000 0.620 427 G HN 0.865 nan 8.290 nan 0.000 0.511 428 S N 0.374 116.094 115.700 0.034 0.000 2.592 428 S HA 0.741 5.211 4.470 -0.000 0.000 0.271 428 S C 0.231 174.851 174.600 0.034 0.000 1.326 428 S CA -0.259 57.956 58.200 0.025 0.000 1.024 428 S CB 1.755 64.961 63.200 0.011 0.000 0.921 428 S HN 0.475 nan 8.310 nan 0.000 0.527 429 R N 1.091 121.607 120.500 0.027 0.000 2.357 429 R HA 0.453 4.793 4.340 -0.000 0.000 0.296 429 R C 0.003 176.315 176.300 0.021 0.000 1.052 429 R CA -0.473 55.644 56.100 0.028 0.000 0.988 429 R CB -0.048 30.265 30.300 0.022 0.000 1.025 429 R HN 0.818 nan 8.270 nan 0.000 0.469 430 c N 0.000 118.614 118.600 0.023 0.000 2.653 430 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 430 c CA 0.000 56.337 56.329 0.014 0.000 1.963 430 c CB 0.000 42.517 42.510 0.012 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568