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 1inp_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSDILQELLR VSEKAANIAR ACRQQETLFQ LLIEEKKEGE KNKKFAVDFK DATA SEQUENCE TLADVLVQEV IKENMENKFP GLGKKIFGEE SNELTNDLGE KIIMRLGPTE DATA SEQUENCE EETVALLSKV LNGNKLASEA LAKVVHQDVF FSDPALDSVE INIPQDILGI DATA SEQUENCE WVDPIDSTYQ YIKGSADITP NQGIFPSGLQ CVTVLIGVYD IQTGVPLMGV DATA SEQUENCE INQPFVSQDL HTRRWKGQCY WGLSYLGTNI HSLLPPVSTR SNSEAQSQGT DATA SEQUENCE QNPSSEGSCR FSVVISTSEK ETIKGALSHV CGERIFRAAG AGYKSLCVIL DATA SEQUENCE GLADIYIFSE DTTFKWDSCA AHAILRAMGG GMVDLKECLE RNPDTGLDLP DATA SEQUENCE QLVYHVGNEG AAGVDQWANK GGLIAYRSEK QLETFLSRLL QHLAPVATHT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.007 0.000 1.302 2 S N 3.722 119.442 115.700 0.032 0.000 2.465 2 S HA -0.129 nan 4.470 nan 0.000 0.307 2 S C -0.977 173.665 174.600 0.070 0.000 1.187 2 S CA 0.615 58.880 58.200 0.108 0.000 1.141 2 S CB -0.216 63.108 63.200 0.208 0.000 1.108 2 S HN -0.032 8.299 8.310 0.035 0.000 0.525 3 D N 6.694 127.107 120.400 0.022 0.000 2.316 3 D HA 0.105 nan 4.640 nan 0.000 0.245 3 D C 0.312 176.562 176.300 -0.083 0.000 1.171 3 D CA -0.077 53.867 54.000 -0.092 0.000 0.856 3 D CB 0.991 41.711 40.800 -0.134 0.000 1.090 3 D HN 0.036 8.426 8.370 0.032 0.000 0.476 4 I N 5.071 125.422 120.570 -0.366 0.000 2.286 4 I HA -0.404 nan 4.170 nan 0.000 0.248 4 I C 1.310 177.259 176.117 -0.280 0.000 1.115 4 I CA 3.000 63.935 61.300 -0.608 0.000 1.392 4 I CB 0.352 37.906 38.000 -0.743 0.000 1.065 4 I HN 0.307 8.290 8.210 -0.378 0.000 0.418 5 L N -0.689 120.384 121.223 -0.250 0.000 2.017 5 L HA -0.447 nan 4.340 nan 0.000 0.208 5 L C 1.811 178.548 176.870 -0.221 0.000 1.073 5 L CA 3.466 58.165 54.840 -0.235 0.000 0.745 5 L CB -0.680 41.188 42.059 -0.317 0.000 0.894 5 L HN -0.256 7.816 8.230 -0.271 -0.004 0.432 6 Q N -2.911 116.766 119.800 -0.206 0.000 2.181 6 Q HA -0.418 nan 4.340 nan 0.000 0.205 6 Q C 2.662 178.636 176.000 -0.043 0.000 0.980 6 Q CA 3.600 59.310 55.803 -0.155 0.000 0.862 6 Q CB -1.025 27.646 28.738 -0.110 0.000 0.905 6 Q HN 0.250 8.402 8.270 -0.197 0.000 0.429 7 E N 0.098 120.305 120.200 0.012 0.000 2.112 7 E HA -0.167 nan 4.350 nan 0.000 0.190 7 E C 2.338 178.961 176.600 0.038 0.000 0.979 7 E CA 2.449 58.896 56.400 0.077 0.000 0.814 7 E CB -0.759 29.088 29.700 0.246 0.000 0.762 7 E HN -0.693 7.643 8.360 0.003 0.027 0.460 8 L N 0.256 121.472 121.223 -0.011 0.000 2.083 8 L HA -0.250 nan 4.340 nan 0.000 0.209 8 L C 2.327 179.209 176.870 0.020 0.000 1.083 8 L CA 2.706 57.535 54.840 -0.018 0.000 0.752 8 L CB -0.860 41.163 42.059 -0.059 0.000 0.899 8 L HN -0.139 7.981 8.230 -0.048 0.081 0.433 9 L N -1.253 119.990 121.223 0.033 0.000 1.994 9 L HA -0.419 nan 4.340 nan 0.000 0.208 9 L C 2.165 179.183 176.870 0.248 0.000 1.071 9 L CA 3.620 58.548 54.840 0.147 0.000 0.745 9 L CB -0.895 41.220 42.059 0.093 0.000 0.892 9 L HN 0.158 8.372 8.230 -0.027 0.000 0.431 10 R N -1.912 118.708 120.500 0.201 0.000 2.073 10 R HA -0.345 nan 4.340 nan 0.000 0.234 10 R C 2.746 179.056 176.300 0.017 0.000 1.134 10 R CA 2.985 59.187 56.100 0.170 0.000 0.952 10 R CB -0.769 29.579 30.300 0.081 0.000 0.850 10 R HN -0.482 7.867 8.270 0.132 0.000 0.433 11 V N -0.720 119.197 119.914 0.005 0.000 2.626 11 V HA -0.273 nan 4.120 nan 0.000 0.252 11 V C 1.865 177.925 176.094 -0.057 0.000 1.067 11 V CA 3.795 66.072 62.300 -0.038 0.000 1.081 11 V CB -1.089 30.720 31.823 -0.023 0.000 0.686 11 V HN -0.023 8.178 8.190 0.031 0.007 0.468 12 S N -0.300 115.380 115.700 -0.033 0.000 2.406 12 S HA -0.339 nan 4.470 nan 0.000 0.228 12 S C 2.053 176.576 174.600 -0.129 0.000 1.020 12 S CA 3.445 61.612 58.200 -0.054 0.000 0.965 12 S CB -0.198 63.003 63.200 0.002 0.000 0.798 12 S HN 0.103 8.318 8.310 0.010 0.101 0.488 13 E N 2.400 122.483 120.200 -0.194 0.000 2.106 13 E HA -0.253 nan 4.350 nan 0.000 0.192 13 E C 1.986 178.425 176.600 -0.269 0.000 0.984 13 E CA 2.509 58.690 56.400 -0.364 0.000 0.806 13 E CB -0.331 28.963 29.700 -0.677 0.000 0.750 13 E HN -0.485 7.799 8.360 -0.128 0.000 0.458 14 K N -0.706 119.575 120.400 -0.197 0.000 2.217 14 K HA -0.203 nan 4.320 nan 0.000 0.202 14 K C 2.091 178.603 176.600 -0.147 0.000 1.051 14 K CA 2.797 58.986 56.287 -0.162 0.000 0.952 14 K CB -0.053 32.365 32.500 -0.136 0.000 0.736 14 K HN -0.130 7.936 8.250 -0.171 0.081 0.453 15 A N -1.169 121.566 122.820 -0.142 0.000 1.897 15 A HA -0.124 nan 4.320 nan 0.000 0.215 15 A C 1.764 179.249 177.584 -0.164 0.000 1.181 15 A CA 2.733 54.687 52.037 -0.138 0.000 0.620 15 A CB -0.828 18.098 19.000 -0.123 0.000 0.821 15 A HN -0.270 7.685 8.150 -0.136 0.114 0.443 16 A N -1.265 121.436 122.820 -0.198 0.000 1.883 16 A HA -0.430 nan 4.320 nan 0.000 0.217 16 A C 1.740 179.183 177.584 -0.235 0.000 1.186 16 A CA 3.339 55.222 52.037 -0.256 0.000 0.624 16 A CB -0.783 18.048 19.000 -0.282 0.000 0.822 16 A HN 0.421 8.455 8.150 -0.193 0.000 0.444 17 N N -1.282 117.303 118.700 -0.192 0.000 2.137 17 N HA -0.388 nan 4.740 nan 0.000 0.190 17 N C 2.354 177.815 175.510 -0.082 0.000 1.017 17 N CA 3.163 56.133 53.050 -0.134 0.000 0.859 17 N CB -0.017 38.398 38.487 -0.120 0.000 1.002 17 N HN -0.313 7.944 8.380 -0.205 0.000 0.428 18 I N -0.247 120.275 120.570 -0.081 0.000 2.252 18 I HA -0.461 nan 4.170 nan 0.000 0.245 18 I C 1.060 177.190 176.117 0.022 0.000 1.102 18 I CA 3.940 65.222 61.300 -0.029 0.000 1.385 18 I CB -0.273 37.694 38.000 -0.055 0.000 1.064 18 I HN -0.666 7.400 8.210 -0.110 0.078 0.414 19 A N -0.474 122.322 122.820 -0.040 0.000 1.933 19 A HA -0.319 nan 4.320 nan 0.000 0.218 19 A C 2.287 180.019 177.584 0.246 0.000 1.175 19 A CA 3.277 55.340 52.037 0.043 0.000 0.628 19 A CB -0.901 17.994 19.000 -0.175 0.000 0.814 19 A HN 0.261 8.251 8.150 -0.116 0.090 0.444 20 R N -1.269 119.238 120.500 0.011 0.000 2.073 20 R HA -0.265 nan 4.340 nan 0.000 0.229 20 R C 2.647 179.058 176.300 0.184 0.000 1.120 20 R CA 3.059 59.217 56.100 0.097 0.000 0.967 20 R CB -0.036 30.220 30.300 -0.074 0.000 0.862 20 R HN 0.432 8.619 8.270 -0.139 0.000 0.436 21 A N 0.800 123.689 122.820 0.116 0.000 1.917 21 A HA -0.259 nan 4.320 nan 0.000 0.219 21 A C 1.968 179.654 177.584 0.170 0.000 1.182 21 A CA 3.126 55.233 52.037 0.117 0.000 0.633 21 A CB -0.923 18.129 19.000 0.088 0.000 0.819 21 A HN 0.074 8.189 8.150 0.064 0.074 0.448 22 C N -4.396 115.050 119.300 0.243 0.000 2.419 22 C HA -0.218 nan 4.460 nan 0.000 0.283 22 C C 1.198 176.319 174.990 0.219 0.000 1.373 22 C CA 2.778 61.971 59.018 0.293 0.000 1.781 22 C CB -1.806 26.231 27.740 0.494 0.000 1.886 22 C HN -0.408 7.974 8.230 0.253 0.000 0.520 23 R N -3.192 117.433 120.500 0.208 0.000 2.206 23 R HA 0.017 nan 4.340 nan 0.000 0.198 23 R C 1.560 177.887 176.300 0.045 0.000 0.986 23 R CA 1.690 57.877 56.100 0.145 0.000 1.029 23 R CB 0.268 30.625 30.300 0.096 0.000 0.966 23 R HN -0.308 7.967 8.270 0.253 0.147 0.487 24 Q N -1.114 118.744 119.800 0.096 0.000 2.107 24 Q HA 0.065 nan 4.340 nan 0.000 0.195 24 Q C 0.823 176.847 176.000 0.040 0.000 0.964 24 Q CA 0.606 56.439 55.803 0.049 0.000 0.833 24 Q CB 0.399 29.191 28.738 0.090 0.000 0.910 24 Q HN -0.319 7.916 8.270 0.144 0.121 0.465 25 Q N 1.690 121.534 119.800 0.073 0.000 2.301 25 Q HA -0.177 nan 4.340 nan 0.000 0.262 25 Q C 0.906 176.957 176.000 0.086 0.000 1.168 25 Q CA 0.243 56.087 55.803 0.068 0.000 0.908 25 Q CB -1.163 27.620 28.738 0.075 0.000 1.348 25 Q HN -0.105 8.221 8.270 0.093 0.000 0.441 26 E N 5.704 125.946 120.200 0.071 0.000 2.196 26 E HA -0.599 nan 4.350 nan 0.000 0.222 26 E C 0.992 177.676 176.600 0.140 0.000 1.072 26 E CA 3.569 60.036 56.400 0.113 0.000 0.902 26 E CB -1.423 28.319 29.700 0.070 0.000 0.780 26 E HN 0.182 8.550 8.360 0.041 0.016 0.467 27 T N -2.799 111.798 114.554 0.073 0.000 2.708 27 T HA -0.200 nan 4.350 nan 0.000 0.266 27 T C 2.435 177.128 174.700 -0.013 0.000 1.037 27 T CA 2.424 64.541 62.100 0.029 0.000 1.146 27 T CB -0.565 68.318 68.868 0.025 0.000 0.865 27 T HN 0.002 8.262 8.240 0.063 0.017 0.435 28 L N 0.978 122.209 121.223 0.013 0.000 2.093 28 L HA -0.249 nan 4.340 nan 0.000 0.208 28 L C 1.832 178.624 176.870 -0.129 0.000 1.085 28 L CA 2.344 57.149 54.840 -0.057 0.000 0.755 28 L CB -0.319 41.787 42.059 0.079 0.000 0.904 28 L HN -0.385 7.789 8.230 0.056 0.089 0.435 29 F N 0.823 120.685 119.950 -0.145 0.000 2.115 29 F HA -0.430 nan 4.527 nan 0.000 0.300 29 F C 0.866 176.536 175.800 -0.217 0.000 1.092 29 F CA 3.073 60.979 58.000 -0.158 0.000 1.245 29 F CB -0.287 38.660 39.000 -0.089 0.000 0.995 29 F HN -0.139 8.282 8.300 0.201 0.000 0.481 30 Q N -3.600 115.985 119.800 -0.359 0.000 2.181 30 Q HA -0.244 nan 4.340 nan 0.000 0.205 30 Q C 0.446 176.193 176.000 -0.421 0.000 0.980 30 Q CA 1.829 57.367 55.803 -0.441 0.000 0.862 30 Q CB 0.399 28.995 28.738 -0.236 0.000 0.905 30 Q HN -0.438 7.634 8.270 -0.124 0.123 0.429 31 L N 0.655 121.578 121.223 -0.500 0.000 2.356 31 L HA -0.001 nan 4.340 nan 0.000 0.282 31 L C -0.724 175.826 176.870 -0.532 0.000 1.132 31 L CA -0.267 54.272 54.840 -0.503 0.000 0.923 31 L CB -2.833 38.832 42.059 -0.657 0.000 1.278 31 L HN -0.604 7.276 8.230 -0.584 0.000 0.436 32 L N 3.844 124.879 121.223 -0.313 0.000 2.583 32 L HA 0.447 nan 4.340 nan 0.000 0.165 32 L C 0.002 176.842 176.870 -0.050 0.000 1.560 32 L CA 0.510 55.227 54.840 -0.206 0.000 3.120 32 L CB -0.363 41.552 42.059 -0.240 0.000 2.974 32 L HN -0.247 7.814 8.230 -0.281 0.000 0.955 33 I N -8.661 111.891 120.570 -0.030 0.000 3.651 33 I HA 0.327 nan 4.170 nan 0.000 0.305 33 I C -0.890 175.233 176.117 0.009 0.000 1.229 33 I CA -0.071 61.243 61.300 0.024 0.000 1.208 33 I CB 1.755 39.796 38.000 0.069 0.000 1.173 33 I HN -0.366 7.805 8.210 -0.065 0.000 0.403 34 E N -1.601 118.618 120.200 0.032 0.000 2.714 34 E HA 0.064 nan 4.350 nan 0.000 0.240 34 E C -1.365 175.268 176.600 0.055 0.000 1.102 34 E CA -0.061 56.358 56.400 0.031 0.000 1.758 34 E CB 1.213 30.929 29.700 0.027 0.000 2.849 34 E HN 0.162 8.551 8.360 0.049 0.000 1.071 35 E N 0.247 120.485 120.200 0.064 0.000 2.299 35 E HA 0.171 nan 4.350 nan 0.000 0.265 35 E C -0.499 176.154 176.600 0.088 0.000 0.911 35 E CA -1.172 55.272 56.400 0.073 0.000 0.789 35 E CB 1.792 31.526 29.700 0.057 0.000 1.246 35 E HN -0.251 8.146 8.360 0.061 0.000 0.427 36 K N 3.242 123.696 120.400 0.090 0.000 2.111 36 K HA -0.027 nan 4.320 nan 0.000 0.249 36 K C 1.243 177.882 176.600 0.066 0.000 1.157 36 K CA -0.295 56.048 56.287 0.093 0.000 1.048 36 K CB -0.643 31.905 32.500 0.080 0.000 1.498 36 K HN 0.478 8.776 8.250 0.081 0.000 0.344 37 K N 5.127 125.564 120.400 0.060 0.000 2.527 37 K HA -0.506 nan 4.320 nan 0.000 0.207 37 K C 0.475 177.081 176.600 0.012 0.000 0.978 37 K CA 2.389 58.695 56.287 0.032 0.000 0.892 37 K CB -0.985 31.526 32.500 0.019 0.000 1.104 37 K HN 0.372 8.609 8.250 0.073 0.057 0.508 38 E N 0.394 120.608 120.200 0.023 0.000 2.261 38 E HA 0.094 nan 4.350 nan 0.000 0.308 38 E C 0.523 177.136 176.600 0.021 0.000 1.400 38 E CA -1.573 54.834 56.400 0.012 0.000 1.542 38 E CB -2.197 27.524 29.700 0.036 0.000 1.369 38 E HN -0.408 7.911 8.360 0.042 0.067 0.493 39 G N 3.183 111.992 108.800 0.015 0.000 3.455 39 G HA2 -0.081 nan 3.960 nan 0.000 0.250 39 G HA3 -0.081 nan 3.960 nan 0.000 0.250 39 G C -0.321 174.588 174.900 0.015 0.000 1.071 39 G CA -0.520 44.594 45.100 0.024 0.000 1.812 39 G HN -0.097 8.199 8.290 0.009 0.000 0.643 40 E N 2.468 122.674 120.200 0.009 0.000 2.086 40 E HA -0.430 nan 4.350 nan 0.000 0.205 40 E C 1.838 178.437 176.600 -0.000 0.000 1.027 40 E CA 3.199 59.592 56.400 -0.012 0.000 0.830 40 E CB -0.196 29.504 29.700 -0.000 0.000 0.751 40 E HN -0.117 8.202 8.360 0.024 0.054 0.456 41 K N -0.554 119.861 120.400 0.024 0.000 2.001 41 K HA -0.265 nan 4.320 nan 0.000 0.214 41 K C 0.961 177.580 176.600 0.032 0.000 1.050 41 K CA 1.892 58.197 56.287 0.030 0.000 0.934 41 K CB -0.596 31.925 32.500 0.035 0.000 0.718 41 K HN 0.105 8.375 8.250 0.032 0.000 0.443 42 N N 1.482 120.203 118.700 0.036 0.000 2.415 42 N HA -0.079 nan 4.740 nan 0.000 0.250 42 N C -0.900 174.645 175.510 0.058 0.000 1.127 42 N CA -0.107 52.971 53.050 0.047 0.000 0.945 42 N CB 0.200 38.712 38.487 0.042 0.000 1.196 42 N HN -0.371 8.029 8.380 0.033 0.000 0.499 43 K N 3.899 124.346 120.400 0.079 0.000 3.657 43 K HA -0.454 nan 4.320 nan 0.000 0.269 43 K C -0.876 175.803 176.600 0.131 0.000 0.797 43 K CA 1.062 57.435 56.287 0.143 0.000 0.585 43 K CB -0.899 31.732 32.500 0.219 0.000 1.714 43 K HN 0.006 8.299 8.250 0.071 0.000 0.448 44 K N -0.333 120.057 120.400 -0.016 0.000 2.127 44 K HA 0.017 nan 4.320 nan 0.000 0.261 44 K C -0.119 176.395 176.600 -0.144 0.000 1.129 44 K CA -1.536 54.739 56.287 -0.019 0.000 0.993 44 K CB -0.946 31.548 32.500 -0.011 0.000 1.410 44 K HN -0.613 7.601 8.250 -0.037 0.014 0.380 45 F N 6.432 126.387 119.950 0.008 0.000 2.509 45 F HA -0.065 nan 4.527 nan 0.000 0.350 45 F C -0.392 175.416 175.800 0.012 0.000 1.220 45 F CA 0.605 58.608 58.000 0.005 0.000 1.151 45 F CB -0.721 38.280 39.000 0.002 0.000 1.379 45 F HN 0.263 8.697 8.300 0.319 0.057 0.610 46 A N 5.888 128.758 122.820 0.083 0.000 2.283 46 A HA 0.288 nan 4.320 nan 0.000 0.225 46 A C -1.062 176.571 177.584 0.082 0.000 2.109 46 A CA 0.796 52.879 52.037 0.077 0.000 0.889 46 A CB 0.988 20.013 19.000 0.042 0.000 1.437 46 A HN -0.073 8.067 8.150 -0.015 0.000 0.595 47 V N -2.757 117.196 119.914 0.065 0.000 2.304 47 V HA 0.375 nan 4.120 nan 0.000 0.262 47 V C -0.107 176.041 176.094 0.090 0.000 1.061 47 V CA -2.585 59.762 62.300 0.078 0.000 0.872 47 V CB -1.972 29.897 31.823 0.076 0.000 1.077 47 V HN -0.145 8.071 8.190 0.043 0.000 0.480 48 D N 9.149 129.611 120.400 0.103 0.000 2.723 48 D HA -0.488 nan 4.640 nan 0.000 0.208 48 D C 0.475 176.853 176.300 0.131 0.000 1.050 48 D CA 3.410 57.478 54.000 0.114 0.000 0.893 48 D CB 0.128 40.998 40.800 0.117 0.000 1.062 48 D HN -0.129 8.300 8.370 0.098 0.000 0.478 49 F N -0.387 119.583 119.950 0.034 0.000 2.259 49 F HA -0.227 nan 4.527 nan 0.000 0.298 49 F C 1.522 177.358 175.800 0.060 0.000 1.088 49 F CA 2.914 60.937 58.000 0.038 0.000 1.358 49 F CB 0.192 39.204 39.000 0.022 0.000 1.040 49 F HN -0.072 8.396 8.300 0.280 0.000 0.505 50 K N -0.109 120.392 120.400 0.167 0.000 2.001 50 K HA -0.471 nan 4.320 nan 0.000 0.214 50 K C 2.183 178.774 176.600 -0.014 0.000 1.050 50 K CA 3.610 59.965 56.287 0.115 0.000 0.934 50 K CB -0.457 32.117 32.500 0.123 0.000 0.718 50 K HN -0.160 8.220 8.250 0.216 0.000 0.443 51 T N 1.742 116.284 114.554 -0.020 0.000 2.881 51 T HA -0.194 nan 4.350 nan 0.000 0.270 51 T C 2.117 176.758 174.700 -0.099 0.000 1.068 51 T CA 4.275 66.344 62.100 -0.052 0.000 1.131 51 T CB -0.647 68.216 68.868 -0.009 0.000 0.871 51 T HN -0.384 7.868 8.240 0.021 0.000 0.479 52 L N 1.367 122.488 121.223 -0.171 0.000 2.023 52 L HA -0.281 nan 4.340 nan 0.000 0.205 52 L C 0.737 177.413 176.870 -0.323 0.000 1.073 52 L CA 3.508 58.196 54.840 -0.253 0.000 0.745 52 L CB -0.333 41.505 42.059 -0.369 0.000 0.900 52 L HN -0.424 7.594 8.230 -0.160 0.116 0.435 53 A N -2.025 120.518 122.820 -0.460 0.000 2.019 53 A HA -0.400 nan 4.320 nan 0.000 0.219 53 A C 2.179 179.652 177.584 -0.185 0.000 1.164 53 A CA 3.154 55.003 52.037 -0.314 0.000 0.644 53 A CB -1.032 17.851 19.000 -0.195 0.000 0.805 53 A HN 0.298 8.076 8.150 -0.619 0.000 0.449 54 D N -0.584 119.720 120.400 -0.160 0.000 2.077 54 D HA -0.203 nan 4.640 nan 0.000 0.196 54 D C 2.377 178.595 176.300 -0.136 0.000 0.986 54 D CA 3.228 57.141 54.000 -0.144 0.000 0.829 54 D CB -0.019 40.704 40.800 -0.128 0.000 0.983 54 D HN -0.298 7.965 8.370 -0.157 0.012 0.453 55 V N 0.844 120.685 119.914 -0.121 0.000 2.332 55 V HA -0.341 nan 4.120 nan 0.000 0.248 55 V C 2.251 178.286 176.094 -0.098 0.000 1.055 55 V CA 4.264 66.506 62.300 -0.097 0.000 1.038 55 V CB -0.494 31.291 31.823 -0.062 0.000 0.651 55 V HN -0.128 7.990 8.190 -0.120 0.000 0.450 56 L N -1.092 120.061 121.223 -0.116 0.000 2.046 56 L HA -0.314 nan 4.340 nan 0.000 0.208 56 L C 1.836 178.638 176.870 -0.112 0.000 1.077 56 L CA 3.710 58.481 54.840 -0.114 0.000 0.747 56 L CB -0.429 41.550 42.059 -0.133 0.000 0.896 56 L HN -0.093 8.057 8.230 -0.134 0.000 0.432 57 V N -1.683 118.160 119.914 -0.119 0.000 2.488 57 V HA -0.422 nan 4.120 nan 0.000 0.246 57 V C 2.248 178.281 176.094 -0.103 0.000 1.046 57 V CA 3.783 66.014 62.300 -0.116 0.000 1.053 57 V CB -0.526 31.219 31.823 -0.130 0.000 0.679 57 V HN -0.784 7.239 8.190 -0.128 0.090 0.458 58 Q N -0.325 119.414 119.800 -0.101 0.000 2.046 58 Q HA -0.388 nan 4.340 nan 0.000 0.200 58 Q C 1.962 177.916 176.000 -0.076 0.000 0.975 58 Q CA 3.698 59.448 55.803 -0.088 0.000 0.836 58 Q CB -0.082 28.598 28.738 -0.097 0.000 0.896 58 Q HN -0.056 8.148 8.270 -0.110 0.000 0.428 59 E N 0.222 120.376 120.200 -0.076 0.000 2.058 59 E HA -0.296 nan 4.350 nan 0.000 0.194 59 E C 2.354 178.910 176.600 -0.073 0.000 0.997 59 E CA 2.913 59.273 56.400 -0.067 0.000 0.801 59 E CB -0.324 29.337 29.700 -0.065 0.000 0.746 59 E HN -0.104 8.207 8.360 -0.082 0.000 0.450 60 V N -0.199 119.661 119.914 -0.090 0.000 2.407 60 V HA -0.352 nan 4.120 nan 0.000 0.248 60 V C 2.103 178.149 176.094 -0.079 0.000 1.055 60 V CA 4.341 66.582 62.300 -0.098 0.000 1.049 60 V CB -0.596 31.155 31.823 -0.119 0.000 0.662 60 V HN -0.022 8.110 8.190 -0.097 0.000 0.455 61 I N -1.487 119.039 120.570 -0.073 0.000 2.333 61 I HA -0.518 nan 4.170 nan 0.000 0.246 61 I C 1.471 177.556 176.117 -0.053 0.000 1.106 61 I CA 4.088 65.352 61.300 -0.061 0.000 1.411 61 I CB -0.268 37.696 38.000 -0.060 0.000 1.082 61 I HN -0.578 7.585 8.210 -0.078 0.000 0.420 62 K N 0.794 121.160 120.400 -0.057 0.000 2.009 62 K HA -0.449 nan 4.320 nan 0.000 0.210 62 K C 2.142 178.718 176.600 -0.041 0.000 1.049 62 K CA 4.141 60.395 56.287 -0.054 0.000 0.929 62 K CB -0.196 32.275 32.500 -0.049 0.000 0.714 62 K HN 0.033 8.246 8.250 -0.061 0.000 0.440 63 E N -2.174 118.001 120.200 -0.041 0.000 2.107 63 E HA -0.301 nan 4.350 nan 0.000 0.191 63 E C 2.670 179.251 176.600 -0.030 0.000 0.982 63 E CA 3.085 59.465 56.400 -0.033 0.000 0.809 63 E CB -0.213 29.466 29.700 -0.035 0.000 0.756 63 E HN -0.015 8.316 8.360 -0.048 0.000 0.459 64 N N -0.175 118.503 118.700 -0.036 0.000 2.309 64 N HA -0.208 nan 4.740 nan 0.000 0.182 64 N C 2.136 177.642 175.510 -0.008 0.000 1.018 64 N CA 2.955 55.985 53.050 -0.032 0.000 0.876 64 N CB 0.198 38.659 38.487 -0.043 0.000 0.972 64 N HN -0.235 8.118 8.380 -0.045 0.000 0.434 65 M N -0.489 119.117 119.600 0.011 0.000 2.236 65 M HA -0.149 nan 4.480 nan 0.000 0.266 65 M C 1.881 178.222 176.300 0.069 0.000 1.070 65 M CA 1.574 56.919 55.300 0.076 0.000 1.137 65 M CB -1.020 31.602 32.600 0.035 0.000 1.378 65 M HN -0.019 8.262 8.290 -0.010 0.003 0.426 66 E N -0.218 119.989 120.200 0.012 0.000 2.085 66 E HA -0.417 nan 4.350 nan 0.000 0.194 66 E C 1.804 178.396 176.600 -0.014 0.000 0.994 66 E CA 2.873 59.273 56.400 0.000 0.000 0.801 66 E CB -0.385 29.307 29.700 -0.014 0.000 0.743 66 E HN 0.161 8.518 8.360 -0.005 0.000 0.453 67 N N -3.231 115.452 118.700 -0.028 0.000 2.331 67 N HA -0.167 nan 4.740 nan 0.000 0.180 67 N C 1.096 176.540 175.510 -0.110 0.000 1.019 67 N CA 2.093 55.110 53.050 -0.055 0.000 0.881 67 N CB 0.397 38.857 38.487 -0.045 0.000 0.972 67 N HN -0.192 8.164 8.380 -0.021 0.012 0.435 68 K N -1.875 118.435 120.400 -0.150 0.000 2.276 68 K HA 0.015 nan 4.320 nan 0.000 0.198 68 K C -0.335 175.865 176.600 -0.668 0.000 1.052 68 K CA 0.732 56.779 56.287 -0.400 0.000 0.984 68 K CB 1.172 33.425 32.500 -0.412 0.000 0.836 68 K HN -0.823 7.273 8.250 -0.067 0.115 0.490 69 F N 0.566 120.479 119.950 -0.061 0.000 2.443 69 F HA 0.441 nan 4.527 nan 0.000 0.369 69 F C -2.404 173.359 175.800 -0.063 0.000 1.090 69 F CA -2.992 54.968 58.000 -0.066 0.000 1.129 69 F CB 0.218 39.169 39.000 -0.082 0.000 1.367 69 F HN 0.042 8.394 8.300 0.087 0.000 0.465 70 P HA -0.115 nan 4.420 nan 0.000 0.264 70 P C -0.213 177.103 177.300 0.026 0.000 1.193 70 P CA 1.162 64.271 63.100 0.015 0.000 0.763 70 P CB 0.001 31.695 31.700 -0.011 0.000 0.810 71 G N 1.299 110.104 108.800 0.009 0.000 2.339 71 G HA2 -0.363 nan 3.960 nan 0.000 0.209 71 G HA3 -0.363 nan 3.960 nan 0.000 0.209 71 G C 0.531 175.413 174.900 -0.029 0.000 1.015 71 G CA -0.049 45.047 45.100 -0.007 0.000 0.635 71 G HN 0.018 8.311 8.290 0.004 0.000 0.499 72 L N 1.820 123.031 121.223 -0.020 0.000 2.012 72 L HA -0.268 nan 4.340 nan 0.000 0.210 72 L C 2.005 178.813 176.870 -0.104 0.000 1.073 72 L CA 3.234 58.031 54.840 -0.073 0.000 0.748 72 L CB -0.335 41.708 42.059 -0.027 0.000 0.891 72 L HN -0.249 7.918 8.230 0.027 0.079 0.431 73 G N -3.873 104.892 108.800 -0.058 0.000 2.485 73 G HA2 -0.482 nan 3.960 nan 0.000 0.221 73 G HA3 -0.482 nan 3.960 nan 0.000 0.221 73 G C 0.012 174.875 174.900 -0.062 0.000 1.115 73 G CA 2.266 47.331 45.100 -0.059 0.000 0.751 73 G HN 0.586 8.860 8.290 -0.027 0.000 0.567 74 K N -1.711 118.660 120.400 -0.049 0.000 2.426 74 K HA -0.007 nan 4.320 nan 0.000 0.193 74 K C 1.156 177.740 176.600 -0.026 0.000 1.028 74 K CA 1.228 57.514 56.287 -0.003 0.000 1.047 74 K CB -0.380 32.134 32.500 0.023 0.000 0.821 74 K HN -0.743 7.454 8.250 -0.049 0.024 0.513 75 K N -1.531 118.736 120.400 -0.222 0.000 2.387 75 K HA 0.092 nan 4.320 nan 0.000 0.198 75 K C -1.499 174.489 176.600 -1.019 0.000 1.022 75 K CA -0.356 55.594 56.287 -0.561 0.000 1.128 75 K CB 0.629 32.872 32.500 -0.429 0.000 0.853 75 K HN -0.124 7.832 8.250 -0.198 0.175 0.523 76 I N 2.353 122.572 120.570 -0.584 0.000 2.291 76 I HA 0.126 nan 4.170 nan 0.000 0.290 76 I C -1.564 174.406 176.117 -0.246 0.000 1.050 76 I CA -0.361 60.658 61.300 -0.469 0.000 1.245 76 I CB -0.237 37.629 38.000 -0.223 0.000 1.405 76 I HN -0.890 7.057 8.210 -0.318 0.073 0.478 77 F N 6.198 125.972 119.950 -0.293 0.000 2.497 77 F HA 0.582 nan 4.527 nan 0.000 0.331 77 F C -0.492 175.254 175.800 -0.090 0.000 1.060 77 F CA -2.960 54.852 58.000 -0.313 0.000 0.989 77 F CB 2.300 40.839 39.000 -0.769 0.000 1.245 77 F HN 0.639 8.553 8.300 -0.644 0.000 0.486 78 G N -1.819 107.110 108.800 0.215 0.000 2.554 78 G HA2 0.144 nan 3.960 nan 0.000 0.306 78 G HA3 0.144 nan 3.960 nan 0.000 0.306 78 G C -1.525 173.175 174.900 -0.333 0.000 1.320 78 G CA 0.586 45.759 45.100 0.122 0.000 0.800 78 G HN -0.401 7.987 8.290 0.164 0.000 0.481 79 E N -1.698 117.944 120.200 -0.930 0.000 2.230 79 E HA -0.127 nan 4.350 nan 0.000 0.192 79 E C 0.638 176.830 176.600 -0.680 0.000 0.987 79 E CA 0.877 56.394 56.400 -1.472 0.000 0.841 79 E CB 0.515 29.116 29.700 -1.832 0.000 0.783 79 E HN -0.077 7.838 8.360 -0.741 0.000 0.481 80 E N 0.202 120.148 120.200 -0.423 0.000 2.318 80 E HA 0.152 nan 4.350 nan 0.000 0.265 80 E C -0.974 175.530 176.600 -0.161 0.000 1.069 80 E CA -0.698 55.544 56.400 -0.263 0.000 0.893 80 E CB 0.921 30.503 29.700 -0.195 0.000 1.076 80 E HN -0.425 8.014 8.360 -0.392 -0.314 0.414 81 S N -0.586 115.054 115.700 -0.101 0.000 2.669 81 S HA 0.141 nan 4.470 nan 0.000 0.270 81 S C -0.141 174.458 174.600 -0.000 0.000 1.225 81 S CA -1.232 56.958 58.200 -0.017 0.000 0.991 81 S CB 0.961 64.199 63.200 0.063 0.000 0.987 81 S HN 0.146 8.386 8.310 -0.117 0.000 0.552 82 N N 0.252 118.963 118.700 0.018 0.000 2.453 82 N HA 0.070 nan 4.740 nan 0.000 0.270 82 N C -1.994 173.532 175.510 0.027 0.000 1.195 82 N CA -0.065 52.990 53.050 0.008 0.000 0.902 82 N CB -0.012 38.473 38.487 -0.003 0.000 1.186 82 N HN 0.084 8.481 8.380 0.028 0.000 0.510 83 E N -0.014 120.229 120.200 0.072 0.000 2.331 83 E HA 0.611 nan 4.350 nan 0.000 0.275 83 E C -2.677 174.009 176.600 0.143 0.000 0.895 83 E CA -0.923 55.514 56.400 0.062 0.000 0.753 83 E CB 2.937 32.664 29.700 0.045 0.000 1.216 83 E HN -0.780 7.562 8.360 0.109 0.083 0.434 84 L N 2.208 123.445 121.223 0.024 0.000 2.370 84 L HA 0.507 nan 4.340 nan 0.000 0.266 84 L C -1.419 175.317 176.870 -0.223 0.000 1.002 84 L CA -1.484 53.367 54.840 0.019 0.000 0.818 84 L CB 4.504 46.587 42.059 0.040 0.000 1.325 84 L HN 0.462 8.673 8.230 -0.032 0.000 0.418 85 T N 2.314 116.658 114.554 -0.350 0.000 2.799 85 T HA 0.436 nan 4.350 nan 0.000 0.286 85 T C -0.972 173.659 174.700 -0.115 0.000 0.973 85 T CA -0.745 61.166 62.100 -0.315 0.000 1.035 85 T CB 0.388 68.977 68.868 -0.464 0.000 0.932 85 T HN -0.084 7.999 8.240 -0.261 0.000 0.469 86 N N 6.900 125.553 118.700 -0.078 0.000 2.531 86 N HA 0.172 nan 4.740 nan 0.000 0.301 86 N C 1.000 176.499 175.510 -0.018 0.000 1.310 86 N CA -1.765 51.267 53.050 -0.028 0.000 0.949 86 N CB 0.715 39.189 38.487 -0.021 0.000 1.111 86 N HN 0.113 8.437 8.380 -0.093 0.000 0.565 87 D N -0.567 119.832 120.400 -0.001 0.000 2.106 87 D HA -0.248 nan 4.640 nan 0.000 0.191 87 D C 1.437 177.733 176.300 -0.005 0.000 0.997 87 D CA 3.173 57.175 54.000 0.003 0.000 0.834 87 D CB -0.226 40.579 40.800 0.008 0.000 0.956 87 D HN 0.411 8.784 8.370 0.005 0.000 0.448 88 L N -3.137 118.079 121.223 -0.011 0.000 2.610 88 L HA 0.007 nan 4.340 nan 0.000 0.232 88 L C 0.776 177.632 176.870 -0.024 0.000 1.149 88 L CA 0.110 54.942 54.840 -0.014 0.000 0.872 88 L CB -0.031 42.020 42.059 -0.014 0.000 0.992 88 L HN -0.634 7.725 8.230 -0.012 -0.137 0.447 89 G N -2.392 106.387 108.800 -0.036 0.000 2.175 89 G HA2 -0.433 nan 3.960 nan 0.000 0.244 89 G HA3 -0.433 nan 3.960 nan 0.000 0.244 89 G C -0.515 174.341 174.900 -0.073 0.000 0.982 89 G CA -0.354 44.714 45.100 -0.053 0.000 0.641 89 G HN -0.509 7.638 8.290 -0.035 0.123 0.527 90 E N 1.139 121.299 120.200 -0.066 0.000 2.259 90 E HA -0.032 nan 4.350 nan 0.000 0.281 90 E C -0.505 176.034 176.600 -0.102 0.000 1.037 90 E CA -0.389 55.969 56.400 -0.069 0.000 0.854 90 E CB 0.854 30.525 29.700 -0.048 0.000 1.051 90 E HN -0.240 8.322 8.360 -0.053 -0.235 0.409 91 K N 4.354 124.684 120.400 -0.117 0.000 2.258 91 K HA 0.369 nan 4.320 nan 0.000 0.284 91 K C -0.715 175.825 176.600 -0.099 0.000 1.051 91 K CA 0.074 56.267 56.287 -0.156 0.000 0.923 91 K CB 0.774 33.178 32.500 -0.160 0.000 1.046 91 K HN 0.285 8.478 8.250 -0.095 0.000 0.474 92 I N 5.018 125.534 120.570 -0.090 0.000 2.465 92 I HA 0.170 nan 4.170 nan 0.000 0.291 92 I C -1.450 174.644 176.117 -0.037 0.000 1.014 92 I CA -2.042 59.228 61.300 -0.051 0.000 1.093 92 I CB 2.695 40.671 38.000 -0.041 0.000 1.267 92 I HN 0.930 8.969 8.210 -0.116 0.102 0.431 93 I N 6.088 126.644 120.570 -0.024 0.000 2.304 93 I HA 0.278 nan 4.170 nan 0.000 0.291 93 I C -0.417 175.693 176.117 -0.012 0.000 1.018 93 I CA -1.807 59.485 61.300 -0.013 0.000 1.260 93 I CB -0.108 37.886 38.000 -0.010 0.000 1.390 93 I HN 0.362 8.558 8.210 -0.023 0.000 0.475 94 M N 8.602 128.195 119.600 -0.011 0.000 2.383 94 M HA -0.025 nan 4.480 nan 0.000 0.337 94 M C -1.367 174.923 176.300 -0.017 0.000 1.422 94 M CA -0.611 54.679 55.300 -0.017 0.000 1.333 94 M CB -1.756 30.829 32.600 -0.025 0.000 1.488 94 M HN 0.385 8.670 8.290 -0.007 0.000 0.454 95 R N 3.452 123.945 120.500 -0.011 0.000 2.476 95 R HA 0.203 nan 4.340 nan 0.000 0.305 95 R C -0.965 175.335 176.300 -0.001 0.000 0.965 95 R CA -0.446 55.649 56.100 -0.009 0.000 0.867 95 R CB 2.115 32.413 30.300 -0.004 0.000 1.176 95 R HN -0.084 8.181 8.270 -0.008 0.000 0.447 96 L N 1.314 122.535 121.223 -0.003 0.000 2.145 96 L HA 0.179 nan 4.340 nan 0.000 0.201 96 L C 0.069 176.977 176.870 0.063 0.000 1.075 96 L CA 0.569 55.423 54.840 0.023 0.000 0.773 96 L CB 0.264 42.304 42.059 -0.032 0.000 0.936 96 L HN 0.113 8.521 8.230 -0.017 -0.188 0.451 97 G N -3.293 105.530 108.800 0.038 0.000 2.526 97 G HA2 -0.200 nan 3.960 nan 0.000 0.250 97 G HA3 -0.200 nan 3.960 nan 0.000 0.250 97 G C -2.690 172.243 174.900 0.056 0.000 1.289 97 G CA -0.843 44.280 45.100 0.039 0.000 0.947 97 G HN -0.771 7.721 8.290 0.013 -0.194 0.517 98 P HA 0.113 nan 4.420 nan 0.000 0.186 98 P C -0.662 176.661 177.300 0.039 0.000 1.117 98 P CA -0.113 63.016 63.100 0.047 0.000 0.832 98 P CB 1.299 33.005 31.700 0.011 0.000 0.713 99 T N 2.618 117.173 114.554 0.002 0.000 2.751 99 T HA 0.034 nan 4.350 nan 0.000 0.290 99 T C -0.102 174.588 174.700 -0.016 0.000 0.919 99 T CA 1.297 63.383 62.100 -0.024 0.000 1.136 99 T CB -0.436 68.419 68.868 -0.023 0.000 0.875 99 T HN 0.047 8.286 8.240 -0.001 0.000 0.532 100 E N 5.867 126.047 120.200 -0.033 0.000 2.235 100 E HA 0.134 nan 4.350 nan 0.000 0.265 100 E C -0.942 175.647 176.600 -0.018 0.000 0.940 100 E CA -2.012 54.382 56.400 -0.011 0.000 0.819 100 E CB 1.406 31.122 29.700 0.026 0.000 1.206 100 E HN 0.069 8.386 8.360 -0.071 0.000 0.409 101 E N 1.794 121.994 120.200 -0.001 0.000 2.105 101 E HA -0.062 nan 4.350 nan 0.000 0.285 101 E C -0.286 176.319 176.600 0.008 0.000 1.055 101 E CA -1.428 54.971 56.400 -0.002 0.000 0.843 101 E CB 0.079 29.780 29.700 0.001 0.000 1.067 101 E HN 0.066 8.431 8.360 0.008 0.000 0.398 102 E N 5.103 125.302 120.200 -0.001 0.000 3.311 102 E HA -0.270 nan 4.350 nan 0.000 0.264 102 E C 0.921 177.549 176.600 0.047 0.000 0.875 102 E CA 0.491 56.898 56.400 0.012 0.000 0.969 102 E CB -0.165 29.536 29.700 0.002 0.000 0.910 102 E HN 0.183 8.536 8.360 -0.012 0.000 0.548 103 T N 5.144 119.761 114.554 0.105 0.000 2.778 103 T HA -0.303 nan 4.350 nan 0.000 0.269 103 T C 1.799 176.540 174.700 0.069 0.000 1.050 103 T CA 3.895 66.060 62.100 0.109 0.000 1.137 103 T CB -0.484 68.493 68.868 0.182 0.000 0.860 103 T HN 0.686 9.014 8.240 0.146 0.000 0.468 104 V N 1.723 121.677 119.914 0.066 0.000 2.231 104 V HA -0.384 nan 4.120 nan 0.000 0.248 104 V C 1.802 177.915 176.094 0.033 0.000 1.054 104 V CA 3.488 65.816 62.300 0.047 0.000 1.015 104 V CB -0.942 30.903 31.823 0.037 0.000 0.638 104 V HN 0.090 8.306 8.190 0.076 0.020 0.444 105 A N -1.432 121.403 122.820 0.025 0.000 1.978 105 A HA -0.240 nan 4.320 nan 0.000 0.220 105 A C 2.110 179.704 177.584 0.016 0.000 1.170 105 A CA 2.911 54.959 52.037 0.017 0.000 0.636 105 A CB -0.835 18.172 19.000 0.012 0.000 0.810 105 A HN -0.437 7.657 8.150 0.026 0.071 0.448 106 L N -1.517 119.718 121.223 0.019 0.000 2.068 106 L HA -0.188 nan 4.340 nan 0.000 0.204 106 L C 1.610 178.488 176.870 0.012 0.000 1.076 106 L CA 2.765 57.612 54.840 0.012 0.000 0.753 106 L CB 0.151 42.218 42.059 0.012 0.000 0.910 106 L HN -0.767 7.370 8.230 0.025 0.108 0.439 107 L N -2.391 118.844 121.223 0.020 0.000 2.141 107 L HA -0.473 nan 4.340 nan 0.000 0.209 107 L C 2.117 179.005 176.870 0.030 0.000 1.094 107 L CA 3.067 57.922 54.840 0.024 0.000 0.763 107 L CB -0.886 41.194 42.059 0.036 0.000 0.908 107 L HN 0.286 8.531 8.230 0.026 0.000 0.437 108 S N 0.272 115.989 115.700 0.028 0.000 2.374 108 S HA -0.416 nan 4.470 nan 0.000 0.227 108 S C 1.922 176.534 174.600 0.020 0.000 1.037 108 S CA 3.849 62.064 58.200 0.026 0.000 1.024 108 S CB -0.450 62.762 63.200 0.020 0.000 0.861 108 S HN 0.429 8.755 8.310 0.027 0.000 0.456 109 K N -0.765 119.643 120.400 0.013 0.000 2.209 109 K HA -0.159 nan 4.320 nan 0.000 0.204 109 K C 1.406 178.010 176.600 0.007 0.000 1.048 109 K CA 2.541 58.831 56.287 0.006 0.000 0.940 109 K CB -0.128 32.371 32.500 -0.001 0.000 0.729 109 K HN -0.379 7.878 8.250 0.012 0.000 0.451 110 V N -2.601 117.321 119.914 0.013 0.000 2.825 110 V HA 0.031 nan 4.120 nan 0.000 0.246 110 V C 1.124 177.241 176.094 0.038 0.000 1.068 110 V CA 2.055 64.365 62.300 0.017 0.000 1.088 110 V CB 0.773 32.602 31.823 0.011 0.000 0.733 110 V HN -0.546 7.500 8.190 0.016 0.154 0.468 111 L N -3.960 117.291 121.223 0.047 0.000 2.688 111 L HA 0.126 nan 4.340 nan 0.000 0.234 111 L C 0.076 176.971 176.870 0.041 0.000 1.192 111 L CA -0.750 54.127 54.840 0.062 0.000 0.984 111 L CB -1.195 40.911 42.059 0.079 0.000 1.232 111 L HN 0.062 8.316 8.230 0.040 0.000 0.465 112 N N -1.099 117.618 118.700 0.029 0.000 2.713 112 N HA -0.424 nan 4.740 nan 0.000 0.251 112 N C 0.697 176.217 175.510 0.016 0.000 1.117 112 N CA 0.685 53.746 53.050 0.019 0.000 0.770 112 N CB -0.531 37.967 38.487 0.018 0.000 1.137 112 N HN 0.253 8.565 8.380 0.027 0.084 0.566 113 G N -4.762 104.049 108.800 0.019 0.000 2.184 113 G HA2 -0.464 nan 3.960 nan 0.000 0.206 113 G HA3 -0.464 nan 3.960 nan 0.000 0.206 113 G C -0.730 174.182 174.900 0.019 0.000 0.995 113 G CA -0.263 44.846 45.100 0.016 0.000 0.651 113 G HN 0.329 8.583 8.290 0.023 0.050 0.511 114 N N 2.627 121.342 118.700 0.025 0.000 2.797 114 N HA -0.262 nan 4.740 nan 0.000 0.317 114 N C -0.920 174.607 175.510 0.030 0.000 1.198 114 N CA 0.405 53.471 53.050 0.027 0.000 1.176 114 N CB -0.794 37.714 38.487 0.035 0.000 1.446 114 N HN -0.459 7.773 8.380 0.028 0.165 0.523 115 K N 2.251 122.665 120.400 0.024 0.000 2.294 115 K HA -0.041 nan 4.320 nan 0.000 0.288 115 K C -1.112 175.503 176.600 0.024 0.000 1.072 115 K CA 0.312 56.614 56.287 0.024 0.000 0.960 115 K CB -1.527 30.985 32.500 0.019 0.000 1.043 115 K HN 0.057 8.272 8.250 0.019 0.047 0.455 116 L N 1.422 122.663 121.223 0.031 0.000 1.242 116 L HA -0.121 nan 4.340 nan 0.000 0.048 116 L C -0.210 176.686 176.870 0.043 0.000 1.534 116 L CA 1.805 56.664 54.840 0.031 0.000 1.113 116 L CB 0.115 42.189 42.059 0.024 0.000 2.238 116 L HN 0.296 8.514 8.230 0.036 0.033 0.436 117 A N -0.349 122.500 122.820 0.048 0.000 1.933 117 A HA -0.357 nan 4.320 nan 0.000 0.218 117 A C 1.831 179.472 177.584 0.095 0.000 1.175 117 A CA 3.572 55.653 52.037 0.073 0.000 0.628 117 A CB -0.414 18.632 19.000 0.077 0.000 0.814 117 A HN 0.150 8.643 8.150 0.039 -0.320 0.444 118 S N -1.705 114.041 115.700 0.076 0.000 2.370 118 S HA -0.436 nan 4.470 nan 0.000 0.226 118 S C 2.113 176.752 174.600 0.065 0.000 1.033 118 S CA 3.706 61.947 58.200 0.069 0.000 1.011 118 S CB -0.063 63.168 63.200 0.052 0.000 0.852 118 S HN -0.255 8.094 8.310 0.065 0.000 0.457 119 E N 0.680 120.915 120.200 0.058 0.000 2.250 119 E HA -0.075 nan 4.350 nan 0.000 0.192 119 E C 2.194 178.830 176.600 0.060 0.000 0.986 119 E CA 1.729 58.162 56.400 0.055 0.000 0.849 119 E CB -0.094 29.631 29.700 0.041 0.000 0.797 119 E HN -0.534 7.711 8.360 0.054 0.148 0.482 120 A N 0.625 123.484 122.820 0.064 0.000 1.930 120 A HA -0.165 nan 4.320 nan 0.000 0.217 120 A C 1.835 179.465 177.584 0.076 0.000 1.175 120 A CA 3.110 55.188 52.037 0.068 0.000 0.627 120 A CB -0.576 18.468 19.000 0.074 0.000 0.815 120 A HN 0.134 8.323 8.150 0.064 0.000 0.443 121 L N -2.058 119.217 121.223 0.087 0.000 2.095 121 L HA -0.274 nan 4.340 nan 0.000 0.204 121 L C 1.896 178.793 176.870 0.046 0.000 1.080 121 L CA 2.404 57.289 54.840 0.076 0.000 0.759 121 L CB 0.023 42.136 42.059 0.090 0.000 0.914 121 L HN -0.583 7.703 8.230 0.094 0.000 0.439 122 A N -1.688 121.171 122.820 0.066 0.000 1.972 122 A HA -0.349 nan 4.320 nan 0.000 0.219 122 A C 1.839 179.524 177.584 0.169 0.000 1.169 122 A CA 3.344 55.446 52.037 0.110 0.000 0.635 122 A CB -0.966 18.121 19.000 0.146 0.000 0.810 122 A HN -0.034 8.159 8.150 0.072 0.000 0.446 123 K N -1.490 118.976 120.400 0.110 0.000 2.002 123 K HA -0.220 nan 4.320 nan 0.000 0.209 123 K C 2.597 179.238 176.600 0.069 0.000 1.048 123 K CA 3.062 59.405 56.287 0.094 0.000 0.930 123 K CB 0.109 32.645 32.500 0.060 0.000 0.714 123 K HN -0.534 7.760 8.250 0.088 0.008 0.438 124 V N -4.812 115.124 119.914 0.036 0.000 2.515 124 V HA -0.113 nan 4.120 nan 0.000 0.250 124 V C 2.401 178.470 176.094 -0.042 0.000 1.058 124 V CA 2.834 65.136 62.300 0.003 0.000 1.064 124 V CB -0.675 31.152 31.823 0.007 0.000 0.675 124 V HN -0.613 7.603 8.190 0.043 0.000 0.461 125 V N -4.011 115.850 119.914 -0.090 0.000 3.141 125 V HA -0.212 nan 4.120 nan 0.000 0.265 125 V C 0.527 176.449 176.094 -0.286 0.000 1.126 125 V CA 2.862 65.034 62.300 -0.213 0.000 1.141 125 V CB -1.228 30.404 31.823 -0.319 0.000 0.743 125 V HN 0.041 8.196 8.190 -0.058 0.000 0.492 126 H N -3.647 115.401 119.070 -0.036 0.000 2.652 126 H HA 0.259 nan 4.556 nan 0.000 0.274 126 H C -0.308 174.988 175.328 -0.052 0.000 1.021 126 H CA -0.769 55.254 56.048 -0.042 0.000 1.187 126 H CB 0.222 29.967 29.762 -0.028 0.000 1.505 126 H HN -0.641 7.484 8.280 0.031 0.173 0.530 127 Q N 1.093 120.909 119.800 0.027 0.000 2.332 127 Q HA -0.093 nan 4.340 nan 0.000 0.263 127 Q C -0.457 175.494 176.000 -0.081 0.000 0.979 127 Q CA 0.099 55.893 55.803 -0.015 0.000 0.885 127 Q CB 0.796 29.519 28.738 -0.025 0.000 1.218 127 Q HN -0.727 7.429 8.270 -0.001 0.113 0.405 128 D N 2.385 122.708 120.400 -0.128 0.000 2.313 128 D HA 0.036 nan 4.640 nan 0.000 0.239 128 D C -0.698 175.337 176.300 -0.442 0.000 1.142 128 D CA -0.838 52.993 54.000 -0.281 0.000 0.847 128 D CB 1.023 41.639 40.800 -0.307 0.000 1.082 128 D HN 0.024 8.343 8.370 -0.086 0.000 0.480 129 V N -1.418 118.251 119.914 -0.408 0.000 2.539 129 V HA 0.338 nan 4.120 nan 0.000 0.292 129 V C -0.797 174.992 176.094 -0.509 0.000 1.045 129 V CA -1.110 60.982 62.300 -0.346 0.000 0.945 129 V CB 1.041 32.745 31.823 -0.198 0.000 0.993 129 V HN 0.146 8.138 8.190 -0.330 0.000 0.464 130 F N 4.789 124.784 119.950 0.075 0.000 2.467 130 F HA 0.252 nan 4.527 nan 0.000 0.336 130 F C -1.126 174.796 175.800 0.203 0.000 1.123 130 F CA -0.960 57.099 58.000 0.098 0.000 0.964 130 F CB 1.817 40.853 39.000 0.060 0.000 1.136 130 F HN -0.051 8.281 8.300 0.053 0.000 0.447 131 F N 5.423 125.441 119.950 0.114 0.000 2.915 131 F HA 0.218 nan 4.527 nan 0.000 0.350 131 F C -2.273 173.559 175.800 0.054 0.000 1.248 131 F CA -1.027 57.012 58.000 0.065 0.000 1.084 131 F CB 1.596 40.606 39.000 0.017 0.000 1.391 131 F HN -0.257 8.230 8.300 0.312 0.000 0.548 132 S N 8.647 124.244 115.700 -0.171 0.000 2.381 132 S HA 0.272 nan 4.470 nan 0.000 0.193 132 S C -1.876 172.631 174.600 -0.155 0.000 1.287 132 S CA -0.367 57.747 58.200 -0.143 0.000 1.199 132 S CB 0.971 64.167 63.200 -0.008 0.000 1.214 132 S HN 0.150 8.379 8.310 -0.134 0.000 0.444 133 D N 3.245 123.519 120.400 -0.209 0.000 2.940 133 D HA 0.064 nan 4.640 nan 0.000 0.304 133 D C -2.211 174.058 176.300 -0.051 0.000 1.255 133 D CA -0.574 53.360 54.000 -0.110 0.000 0.734 133 D CB 0.733 41.493 40.800 -0.066 0.000 1.261 133 D HN -0.375 7.803 8.370 -0.319 0.000 0.436 134 P HA 0.165 nan 4.420 nan 0.000 0.245 134 P C -1.432 175.951 177.300 0.139 0.000 1.203 134 P CA 0.547 63.763 63.100 0.193 0.000 0.792 134 P CB 0.685 32.565 31.700 0.299 0.000 0.997 135 A N -2.380 120.423 122.820 -0.028 0.000 3.168 135 A HA 0.126 nan 4.320 nan 0.000 0.260 135 A C -0.696 176.819 177.584 -0.115 0.000 1.598 135 A CA -0.425 51.547 52.037 -0.108 0.000 1.285 135 A CB -1.381 17.392 19.000 -0.379 0.000 1.149 135 A HN -0.062 7.969 8.150 -0.199 0.000 0.630 136 L N -0.292 120.897 121.223 -0.056 0.000 2.562 136 L HA 0.119 nan 4.340 nan 0.000 0.188 136 L C 0.119 176.971 176.870 -0.031 0.000 1.342 136 L CA 1.083 55.892 54.840 -0.052 0.000 1.104 136 L CB 1.295 43.329 42.059 -0.041 0.000 1.257 136 L HN -0.697 7.473 8.230 -0.021 0.048 0.632 137 D N -2.134 118.257 120.400 -0.015 0.000 2.713 137 D HA 0.035 nan 4.640 nan 0.000 0.229 137 D C -0.891 175.411 176.300 0.003 0.000 1.136 137 D CA 0.629 54.624 54.000 -0.008 0.000 1.010 137 D CB -1.630 39.167 40.800 -0.005 0.000 1.084 137 D HN 0.018 8.380 8.370 -0.013 0.000 0.495 138 S N -0.290 115.413 115.700 0.004 0.000 5.084 138 S HA 0.041 nan 4.470 nan 0.000 0.156 138 S C -0.344 174.271 174.600 0.024 0.000 1.073 138 S CA 0.337 58.551 58.200 0.023 0.000 1.336 138 S CB 1.350 64.577 63.200 0.045 0.000 1.919 138 S HN -0.138 8.110 8.310 -0.009 0.057 0.624 139 V N 2.787 122.710 119.914 0.015 0.000 2.112 139 V HA 0.149 nan 4.120 nan 0.000 0.271 139 V C -1.121 174.960 176.094 -0.022 0.000 1.465 139 V CA -0.839 61.470 62.300 0.016 0.000 1.419 139 V CB -2.110 29.735 31.823 0.038 0.000 1.409 139 V HN -0.079 8.110 8.190 -0.001 0.000 0.495 140 E N 4.211 124.405 120.200 -0.011 0.000 2.053 140 E HA -0.101 nan 4.350 nan 0.000 0.297 140 E C -1.001 175.591 176.600 -0.013 0.000 1.173 140 E CA -0.327 56.062 56.400 -0.019 0.000 1.219 140 E CB -1.442 28.253 29.700 -0.008 0.000 1.103 140 E HN -0.308 7.991 8.360 0.003 0.062 0.476 141 I N -0.216 120.337 120.570 -0.029 0.000 2.488 141 I HA -0.015 nan 4.170 nan 0.000 0.299 141 I C -1.409 174.663 176.117 -0.074 0.000 0.984 141 I CA -1.049 60.238 61.300 -0.022 0.000 1.250 141 I CB 1.732 39.731 38.000 -0.001 0.000 1.389 141 I HN -0.354 7.912 8.210 -0.049 -0.086 0.488 142 N N 3.847 122.508 118.700 -0.065 0.000 2.372 142 N HA 0.060 nan 4.740 nan 0.000 0.291 142 N C -2.003 173.395 175.510 -0.186 0.000 1.024 142 N CA -0.459 52.533 53.050 -0.097 0.000 0.873 142 N CB 1.720 40.186 38.487 -0.035 0.000 1.206 142 N HN 0.056 8.427 8.380 -0.014 0.000 0.486 143 I N 4.262 124.665 120.570 -0.278 0.000 2.466 143 I HA 0.301 nan 4.170 nan 0.000 0.289 143 I C -2.074 173.909 176.117 -0.224 0.000 1.026 143 I CA -4.033 57.030 61.300 -0.395 0.000 1.078 143 I CB 2.659 40.288 38.000 -0.618 0.000 1.249 143 I HN 0.065 8.132 8.210 -0.238 0.000 0.429 144 P HA -0.068 nan 4.420 nan 0.000 0.260 144 P C 0.188 177.415 177.300 -0.123 0.000 1.207 144 P CA -0.127 62.919 63.100 -0.090 0.000 0.780 144 P CB 0.128 31.807 31.700 -0.035 0.000 0.789 145 Q N 5.101 124.825 119.800 -0.126 0.000 2.325 145 Q HA -0.418 nan 4.340 nan 0.000 0.211 145 Q C 1.161 177.084 176.000 -0.127 0.000 0.988 145 Q CA 3.178 58.893 55.803 -0.147 0.000 0.887 145 Q CB -0.094 28.579 28.738 -0.108 0.000 0.915 145 Q HN 0.599 8.804 8.270 -0.108 0.000 0.440 146 D N -1.429 118.919 120.400 -0.086 0.000 2.347 146 D HA -0.142 nan 4.640 nan 0.000 0.213 146 D C 0.866 177.124 176.300 -0.069 0.000 0.985 146 D CA 2.152 56.114 54.000 -0.065 0.000 0.879 146 D CB -0.155 40.626 40.800 -0.032 0.000 0.919 146 D HN 0.390 8.648 8.370 -0.073 0.069 0.526 147 I N -7.622 112.895 120.570 -0.088 0.000 3.956 147 I HA 0.219 nan 4.170 nan 0.000 0.333 147 I C -1.586 174.428 176.117 -0.173 0.000 1.302 147 I CA 0.151 61.401 61.300 -0.082 0.000 1.122 147 I CB 0.842 38.820 38.000 -0.036 0.000 1.013 147 I HN -0.601 7.490 8.210 -0.101 0.059 0.405 148 L N 0.382 121.457 121.223 -0.246 0.000 2.287 148 L HA 0.440 nan 4.340 nan 0.000 0.287 148 L C -0.080 176.481 176.870 -0.514 0.000 1.022 148 L CA -1.081 53.535 54.840 -0.375 0.000 0.814 148 L CB 0.529 42.385 42.059 -0.337 0.000 1.217 148 L HN -0.691 7.353 8.230 -0.211 0.060 0.420 149 G N 3.030 111.323 108.800 -0.846 0.000 2.453 149 G HA2 0.764 nan 3.960 nan 0.000 0.323 149 G HA3 0.764 nan 3.960 nan 0.000 0.323 149 G C -2.750 171.623 174.900 -0.878 0.000 1.198 149 G CA -1.440 43.050 45.100 -1.016 0.000 0.959 149 G HN 0.096 7.767 8.290 -1.032 0.000 0.482 150 I N 0.033 120.154 120.570 -0.747 0.000 2.608 150 I HA 0.606 nan 4.170 nan 0.000 0.295 150 I C -1.843 174.053 176.117 -0.369 0.000 1.049 150 I CA -1.187 59.874 61.300 -0.399 0.000 1.063 150 I CB 4.224 42.019 38.000 -0.342 0.000 1.248 150 I HN 0.793 8.357 8.210 -1.076 0.000 0.424 151 W N 4.896 126.219 121.300 0.038 0.000 2.475 151 W HA 0.357 nan 4.660 nan 0.000 0.320 151 W C -1.604 174.955 176.519 0.067 0.000 1.022 151 W CA -1.158 56.247 57.345 0.099 0.000 1.240 151 W CB 2.148 31.674 29.460 0.111 0.000 1.328 151 W HN 0.734 8.911 8.180 0.173 0.107 0.439 152 V N 5.083 125.202 119.914 0.341 0.000 2.555 152 V HA 0.514 nan 4.120 nan 0.000 0.302 152 V C -2.308 173.870 176.094 0.140 0.000 1.038 152 V CA -1.777 60.621 62.300 0.163 0.000 0.887 152 V CB 1.951 33.798 31.823 0.039 0.000 0.991 152 V HN 0.440 8.858 8.190 0.380 0.000 0.434 153 D N 5.032 125.498 120.400 0.110 0.000 2.453 153 D HA 0.614 nan 4.640 nan 0.000 0.238 153 D C -1.800 174.488 176.300 -0.020 0.000 1.088 153 D CA -3.326 50.701 54.000 0.045 0.000 0.854 153 D CB 2.981 43.885 40.800 0.174 0.000 1.076 153 D HN 0.055 8.492 8.370 0.112 0.000 0.533 154 P HA 0.024 nan 4.420 nan 0.000 0.215 154 P C -0.528 176.697 177.300 -0.126 0.000 1.157 154 P CA 1.219 64.257 63.100 -0.103 0.000 0.856 154 P CB 0.642 32.264 31.700 -0.130 0.000 0.786 155 I N -2.142 118.341 120.570 -0.144 0.000 2.517 155 I HA -0.035 nan 4.170 nan 0.000 0.280 155 I C -1.993 174.063 176.117 -0.102 0.000 1.061 155 I CA -0.804 60.378 61.300 -0.197 0.000 1.091 155 I CB 2.159 39.928 38.000 -0.384 0.000 1.205 155 I HN -0.542 7.591 8.210 -0.129 0.000 0.459 156 D N 6.821 127.199 120.400 -0.037 0.000 2.304 156 D HA 0.133 nan 4.640 nan 0.000 0.247 156 D C -0.394 175.931 176.300 0.041 0.000 1.089 156 D CA -0.694 53.326 54.000 0.032 0.000 0.910 156 D CB 1.915 42.755 40.800 0.066 0.000 1.199 156 D HN 0.493 8.838 8.370 -0.041 0.000 0.426 157 S N 2.538 118.290 115.700 0.087 0.000 3.829 157 S HA -0.246 nan 4.470 nan 0.000 0.461 157 S C 0.381 175.065 174.600 0.140 0.000 0.849 157 S CA -0.029 58.242 58.200 0.119 0.000 1.323 157 S CB -0.290 62.969 63.200 0.099 0.000 0.872 157 S HN 0.548 8.919 8.310 0.103 0.000 0.613 158 T N 0.449 115.095 114.554 0.153 0.000 2.915 158 T HA -0.197 nan 4.350 nan 0.000 0.269 158 T C 1.488 176.304 174.700 0.193 0.000 1.071 158 T CA 2.335 64.546 62.100 0.185 0.000 1.132 158 T CB -0.319 68.639 68.868 0.151 0.000 0.878 158 T HN 0.491 8.819 8.240 0.146 0.000 0.479 159 Y N 2.878 123.238 120.300 0.099 0.000 2.089 159 Y HA -0.388 nan 4.550 nan 0.000 0.282 159 Y C 0.927 176.862 175.900 0.059 0.000 1.139 159 Y CA 3.565 61.709 58.100 0.073 0.000 1.123 159 Y CB -0.214 38.286 38.460 0.067 0.000 0.980 159 Y HN -0.394 8.054 8.280 0.319 0.024 0.493 160 Q N -2.794 117.017 119.800 0.018 0.000 2.124 160 Q HA -0.424 nan 4.340 nan 0.000 0.202 160 Q C 2.492 178.435 176.000 -0.096 0.000 0.977 160 Q CA 2.392 58.155 55.803 -0.066 0.000 0.850 160 Q CB -0.832 27.917 28.738 0.018 0.000 0.901 160 Q HN -0.142 8.243 8.270 0.192 0.000 0.429 161 Y N 1.795 122.010 120.300 -0.143 0.000 2.165 161 Y HA -0.387 nan 4.550 nan 0.000 0.286 161 Y C 2.044 177.850 175.900 -0.156 0.000 1.155 161 Y CA 3.283 61.295 58.100 -0.147 0.000 1.164 161 Y CB 0.003 38.443 38.460 -0.034 0.000 0.978 161 Y HN -0.096 8.284 8.280 0.167 0.000 0.513 162 I N -1.795 118.658 120.570 -0.194 0.000 2.333 162 I HA -0.410 nan 4.170 nan 0.000 0.246 162 I C 1.993 177.927 176.117 -0.305 0.000 1.106 162 I CA 1.176 62.315 61.300 -0.268 0.000 1.411 162 I CB -0.540 37.386 38.000 -0.123 0.000 1.082 162 I HN -0.332 7.830 8.210 -0.056 0.014 0.420 163 K N -0.810 119.355 120.400 -0.392 0.000 2.097 163 K HA -0.252 nan 4.320 nan 0.000 0.206 163 K C 1.757 178.222 176.600 -0.225 0.000 1.049 163 K CA 2.496 58.574 56.287 -0.348 0.000 0.933 163 K CB 0.529 32.741 32.500 -0.479 0.000 0.717 163 K HN 0.348 8.323 8.250 -0.458 0.000 0.442 164 G N -0.539 108.110 108.800 -0.252 0.000 2.148 164 G HA2 -0.333 nan 3.960 nan 0.000 0.254 164 G HA3 -0.333 nan 3.960 nan 0.000 0.254 164 G C -0.488 174.318 174.900 -0.157 0.000 0.981 164 G CA 0.260 45.218 45.100 -0.236 0.000 0.670 164 G HN -0.255 7.862 8.290 -0.287 0.000 0.528 165 S N 1.387 117.015 115.700 -0.121 0.000 2.481 165 S HA -0.033 nan 4.470 nan 0.000 0.282 165 S C -0.613 173.989 174.600 0.003 0.000 1.243 165 S CA -0.013 58.162 58.200 -0.041 0.000 1.078 165 S CB 0.249 63.442 63.200 -0.012 0.000 0.916 165 S HN -0.205 7.978 8.310 -0.137 0.045 0.495 166 A N 5.043 127.915 122.820 0.087 0.000 2.267 166 A HA 0.081 nan 4.320 nan 0.000 0.213 166 A C -0.739 176.943 177.584 0.163 0.000 1.192 166 A CA 0.745 52.928 52.037 0.244 0.000 0.851 166 A CB -0.106 19.046 19.000 0.252 0.000 0.881 166 A HN 0.568 8.751 8.150 0.055 0.000 0.494 167 D N -3.867 116.596 120.400 0.106 0.000 2.501 167 D HA 0.018 nan 4.640 nan 0.000 0.224 167 D C -0.295 176.075 176.300 0.116 0.000 1.202 167 D CA -0.993 53.059 54.000 0.086 0.000 0.829 167 D CB -0.735 40.090 40.800 0.042 0.000 1.023 167 D HN -0.336 8.018 8.370 0.088 0.069 0.499 168 I N 0.307 120.981 120.570 0.172 0.000 2.532 168 I HA 0.074 nan 4.170 nan 0.000 0.292 168 I C 0.532 176.772 176.117 0.205 0.000 1.014 168 I CA -0.007 61.400 61.300 0.179 0.000 1.340 168 I CB 0.400 38.527 38.000 0.212 0.000 1.422 168 I HN -0.273 8.060 8.210 0.205 0.000 0.528 169 T N 6.974 121.572 114.554 0.073 0.000 2.837 169 T HA 0.367 nan 4.350 nan 0.000 0.285 169 T C -2.191 172.372 174.700 -0.228 0.000 0.984 169 T CA -2.465 59.608 62.100 -0.044 0.000 1.049 169 T CB 0.519 69.375 68.868 -0.020 0.000 0.947 169 T HN 0.142 8.419 8.240 0.062 0.000 0.472 170 P HA 0.107 nan 4.420 nan 0.000 0.285 170 P C -1.560 175.587 177.300 -0.255 0.000 1.259 170 P CA -1.107 61.611 63.100 -0.637 0.000 0.794 170 P CB 1.157 32.152 31.700 -1.176 0.000 0.940 171 N N 2.929 121.566 118.700 -0.105 0.000 2.402 171 N HA -0.149 nan 4.740 nan 0.000 0.252 171 N C -0.208 175.280 175.510 -0.036 0.000 1.118 171 N CA -0.442 52.629 53.050 0.036 0.000 0.945 171 N CB -0.062 38.560 38.487 0.226 0.000 1.147 171 N HN -0.026 8.304 8.380 -0.082 0.000 0.495 172 Q N 4.838 124.611 119.800 -0.044 0.000 2.503 172 Q HA -0.337 nan 4.340 nan 0.000 0.267 172 Q C -0.495 175.403 176.000 -0.171 0.000 1.030 172 Q CA 0.987 56.741 55.803 -0.081 0.000 1.041 172 Q CB -1.037 27.669 28.738 -0.054 0.000 1.406 172 Q HN 0.434 8.683 8.270 -0.035 0.000 0.524 173 G N -6.411 102.284 108.800 -0.175 0.000 2.213 173 G HA2 -0.387 nan 3.960 nan 0.000 0.236 173 G HA3 -0.387 nan 3.960 nan 0.000 0.236 173 G C -1.163 173.669 174.900 -0.114 0.000 0.991 173 G CA -0.168 44.851 45.100 -0.134 0.000 0.629 173 G HN -0.230 7.926 8.290 -0.187 0.022 0.517 174 I N 1.283 121.740 120.570 -0.189 0.000 2.339 174 I HA 0.121 nan 4.170 nan 0.000 0.290 174 I C -1.590 174.552 176.117 0.042 0.000 0.994 174 I CA -1.098 60.194 61.300 -0.014 0.000 1.191 174 I CB 0.936 38.789 38.000 -0.245 0.000 1.343 174 I HN -0.498 7.373 8.210 -0.277 0.173 0.458 175 F N 8.225 128.299 119.950 0.206 0.000 2.445 175 F HA 0.125 nan 4.527 nan 0.000 0.359 175 F C -1.314 174.546 175.800 0.099 0.000 1.101 175 F CA -0.824 57.223 58.000 0.078 0.000 1.177 175 F CB -0.371 38.579 39.000 -0.084 0.000 1.110 175 F HN 0.201 9.002 8.300 0.835 0.000 0.522 176 P HA -0.126 nan 4.420 nan 0.000 0.225 176 P C -1.235 176.161 177.300 0.161 0.000 1.156 176 P CA 0.498 63.712 63.100 0.191 0.000 0.787 176 P CB 0.466 32.258 31.700 0.153 0.000 0.802 177 S N -4.526 111.261 115.700 0.144 0.000 2.669 177 S HA 0.062 nan 4.470 nan 0.000 0.266 177 S C -1.346 173.285 174.600 0.052 0.000 1.149 177 S CA -0.955 57.300 58.200 0.091 0.000 0.842 177 S CB 1.459 64.728 63.200 0.116 0.000 1.160 177 S HN -0.887 7.498 8.310 0.192 0.040 0.487 178 G N -2.090 106.703 108.800 -0.012 0.000 2.479 178 G HA2 -0.210 nan 3.960 nan 0.000 0.686 178 G HA3 -0.210 nan 3.960 nan 0.000 0.686 178 G C -0.145 174.634 174.900 -0.202 0.000 1.295 178 G CA -0.567 44.489 45.100 -0.073 0.000 0.922 178 G HN -0.355 8.149 8.290 -0.004 -0.216 0.582 179 L N 0.874 121.916 121.223 -0.302 0.000 2.265 179 L HA -0.397 nan 4.340 nan 0.000 0.215 179 L C 1.739 178.372 176.870 -0.395 0.000 1.117 179 L CA 2.709 57.257 54.840 -0.486 0.000 0.782 179 L CB -0.261 41.223 42.059 -0.959 0.000 0.914 179 L HN 0.405 8.490 8.230 -0.243 0.000 0.441 180 Q N -2.444 117.081 119.800 -0.459 0.000 2.364 180 Q HA -0.242 nan 4.340 nan 0.000 0.209 180 Q C 0.705 176.340 176.000 -0.608 0.000 0.977 180 Q CA 2.663 58.128 55.803 -0.564 0.000 0.885 180 Q CB -0.576 27.501 28.738 -1.101 0.000 0.941 180 Q HN 0.323 8.287 8.270 -0.449 0.037 0.464 181 C N -2.563 116.399 119.300 -0.563 0.000 2.576 181 C HA 0.048 nan 4.460 nan 0.000 0.267 181 C C -0.480 174.425 174.990 -0.141 0.000 1.364 181 C CA 0.065 58.760 59.018 -0.538 0.000 1.723 181 C CB -0.845 26.698 27.740 -0.328 0.000 1.778 181 C HN -0.675 7.242 8.230 -0.436 0.052 0.572 182 V N 1.632 121.502 119.914 -0.073 0.000 2.465 182 V HA 0.121 nan 4.120 nan 0.000 0.279 182 V C -1.226 174.881 176.094 0.022 0.000 1.045 182 V CA 0.259 62.569 62.300 0.018 0.000 0.938 182 V CB 0.431 32.318 31.823 0.107 0.000 0.986 182 V HN -0.671 7.391 8.190 -0.111 0.061 0.467 183 T N 2.761 117.326 114.554 0.019 0.000 2.896 183 T HA 0.625 nan 4.350 nan 0.000 0.297 183 T C -1.613 173.079 174.700 -0.013 0.000 1.108 183 T CA -2.249 59.864 62.100 0.022 0.000 1.004 183 T CB 3.226 72.131 68.868 0.061 0.000 1.159 183 T HN -0.375 7.874 8.240 0.014 0.000 0.499 184 V N 2.256 122.160 119.914 -0.017 0.000 2.347 184 V HA 0.808 nan 4.120 nan 0.000 0.280 184 V C -1.375 174.730 176.094 0.017 0.000 1.021 184 V CA -0.805 61.478 62.300 -0.028 0.000 0.847 184 V CB 0.405 32.191 31.823 -0.062 0.000 0.990 184 V HN 0.484 8.673 8.190 -0.002 0.000 0.444 185 L N 7.452 128.696 121.223 0.034 0.000 2.333 185 L HA 0.852 nan 4.340 nan 0.000 0.280 185 L C -1.256 175.654 176.870 0.067 0.000 1.004 185 L CA -0.935 53.942 54.840 0.061 0.000 0.820 185 L CB 2.034 44.145 42.059 0.086 0.000 1.247 185 L HN 0.136 8.380 8.230 0.025 0.000 0.416 186 I N 2.690 123.297 120.570 0.061 0.000 2.503 186 I HA 0.433 nan 4.170 nan 0.000 0.282 186 I C -1.448 174.699 176.117 0.051 0.000 1.059 186 I CA -0.667 60.664 61.300 0.052 0.000 1.081 186 I CB 2.573 40.584 38.000 0.017 0.000 1.210 186 I HN 0.287 8.533 8.210 0.061 0.000 0.450 187 G N 5.703 114.551 108.800 0.080 0.000 2.388 187 G HA2 0.677 nan 3.960 nan 0.000 0.330 187 G HA3 0.677 nan 3.960 nan 0.000 0.330 187 G C -2.489 172.447 174.900 0.060 0.000 1.142 187 G CA -1.868 43.267 45.100 0.059 0.000 0.908 187 G HN 0.518 8.887 8.290 0.131 0.000 0.473 188 V N 3.533 123.452 119.914 0.008 0.000 2.407 188 V HA 0.809 nan 4.120 nan 0.000 0.291 188 V C -1.331 174.761 176.094 -0.003 0.000 1.018 188 V CA -1.459 60.802 62.300 -0.064 0.000 0.842 188 V CB 0.629 32.370 31.823 -0.137 0.000 0.996 188 V HN 0.337 8.526 8.190 -0.001 0.000 0.426 189 Y N 4.718 124.968 120.300 -0.084 0.000 2.686 189 Y HA 0.930 nan 4.550 nan 0.000 0.330 189 Y C -2.476 173.418 175.900 -0.010 0.000 1.082 189 Y CA -3.623 54.465 58.100 -0.021 0.000 1.158 189 Y CB 2.527 41.038 38.460 0.084 0.000 1.333 189 Y HN 0.615 8.727 8.280 -0.281 0.000 0.519 190 D N -0.754 119.690 120.400 0.073 0.000 2.232 190 D HA 0.313 nan 4.640 nan 0.000 0.242 190 D C 0.889 177.242 176.300 0.088 0.000 1.093 190 D CA -1.853 52.141 54.000 -0.010 0.000 0.845 190 D CB 1.803 42.644 40.800 0.068 0.000 1.124 190 D HN -0.084 8.449 8.370 0.272 0.000 0.467 191 I N 6.567 127.126 120.570 -0.018 0.000 2.286 191 I HA -0.517 nan 4.170 nan 0.000 0.248 191 I C 1.373 177.673 176.117 0.305 0.000 1.115 191 I CA 3.199 64.609 61.300 0.183 0.000 1.392 191 I CB 0.297 38.341 38.000 0.074 0.000 1.065 191 I HN 0.840 8.871 8.210 -0.122 0.106 0.418 192 Q N -3.370 116.547 119.800 0.194 0.000 2.163 192 Q HA -0.072 nan 4.340 nan 0.000 0.198 192 Q C 1.596 177.713 176.000 0.194 0.000 0.954 192 Q CA 2.862 58.800 55.803 0.224 0.000 0.851 192 Q CB -0.039 28.780 28.738 0.134 0.000 0.928 192 Q HN -0.150 8.363 8.270 0.118 -0.172 0.459 193 T N -6.961 107.623 114.554 0.051 0.000 3.037 193 T HA 0.222 nan 4.350 nan 0.000 0.252 193 T C 1.600 176.076 174.700 -0.373 0.000 1.073 193 T CA 0.257 62.322 62.100 -0.058 0.000 1.091 193 T CB 0.794 69.664 68.868 0.003 0.000 0.935 193 T HN -0.674 7.821 8.240 0.065 -0.216 0.488 194 G N 2.166 110.763 108.800 -0.338 0.000 2.176 194 G HA2 -0.299 nan 3.960 nan 0.000 0.253 194 G HA3 -0.299 nan 3.960 nan 0.000 0.253 194 G C -1.181 173.765 174.900 0.077 0.000 0.979 194 G CA 0.475 45.395 45.100 -0.299 0.000 0.641 194 G HN 0.135 8.386 8.290 -0.065 0.000 0.530 195 V N 2.808 122.789 119.914 0.112 0.000 2.432 195 V HA 0.237 nan 4.120 nan 0.000 0.271 195 V C -1.792 174.379 176.094 0.129 0.000 1.046 195 V CA -2.808 59.547 62.300 0.091 0.000 0.945 195 V CB 0.730 32.581 31.823 0.046 0.000 0.992 195 V HN -0.712 7.522 8.190 0.073 0.000 0.471 196 P HA 0.238 nan 4.420 nan 0.000 0.271 196 P C -1.214 176.095 177.300 0.014 0.000 1.216 196 P CA 0.269 63.358 63.100 -0.017 0.000 0.771 196 P CB 0.919 32.489 31.700 -0.217 0.000 0.864 197 L N -1.225 120.017 121.223 0.032 0.000 2.547 197 L HA 0.235 nan 4.340 nan 0.000 0.218 197 L C 0.191 177.082 176.870 0.035 0.000 1.048 197 L CA 0.436 55.305 54.840 0.049 0.000 0.859 197 L CB 1.716 43.788 42.059 0.022 0.000 1.128 197 L HN 0.856 8.989 8.230 0.027 0.113 0.483 198 M N -5.496 114.109 119.600 0.008 0.000 2.578 198 M HA 0.430 nan 4.480 nan 0.000 0.276 198 M C -2.267 174.053 176.300 0.032 0.000 1.245 198 M CA -0.191 55.125 55.300 0.025 0.000 0.871 198 M CB 5.418 38.000 32.600 -0.031 0.000 1.722 198 M HN -0.364 7.922 8.290 -0.006 0.000 0.473 199 G N -1.777 107.072 108.800 0.082 0.000 2.742 199 G HA2 0.665 nan 3.960 nan 0.000 0.296 199 G HA3 0.665 nan 3.960 nan 0.000 0.296 199 G C -3.310 171.674 174.900 0.140 0.000 1.436 199 G CA -0.031 45.119 45.100 0.083 0.000 0.928 199 G HN -0.027 8.341 8.290 0.130 0.000 0.520 200 V N 2.895 122.879 119.914 0.116 0.000 2.531 200 V HA 0.684 nan 4.120 nan 0.000 0.301 200 V C -1.560 174.612 176.094 0.129 0.000 1.034 200 V CA -1.192 61.199 62.300 0.150 0.000 0.865 200 V CB 2.749 34.636 31.823 0.107 0.000 0.995 200 V HN 0.308 8.547 8.190 0.081 0.000 0.424 201 I N 6.870 127.541 120.570 0.169 0.000 2.389 201 I HA 0.439 nan 4.170 nan 0.000 0.288 201 I C -2.214 174.035 176.117 0.221 0.000 0.999 201 I CA -1.188 60.208 61.300 0.159 0.000 1.129 201 I CB 2.734 40.804 38.000 0.118 0.000 1.288 201 I HN 0.845 9.073 8.210 0.217 0.112 0.444 202 N N 7.140 125.917 118.700 0.129 0.000 2.479 202 N HA 0.374 nan 4.740 nan 0.000 0.261 202 N C -1.598 173.951 175.510 0.065 0.000 0.979 202 N CA -1.039 52.062 53.050 0.084 0.000 0.930 202 N CB 2.849 41.335 38.487 -0.002 0.000 1.172 202 N HN 0.665 9.095 8.380 0.082 0.000 0.499 203 Q N 6.718 126.592 119.800 0.124 0.000 2.337 203 Q HA 0.341 nan 4.340 nan 0.000 0.255 203 Q C -1.519 174.432 176.000 -0.081 0.000 0.997 203 Q CA -1.996 53.841 55.803 0.058 0.000 0.925 203 Q CB 0.198 29.019 28.738 0.137 0.000 1.212 203 Q HN 0.495 8.893 8.270 0.214 0.000 0.436 204 P HA -0.129 nan 4.420 nan 0.000 0.222 204 P C -0.876 176.023 177.300 -0.667 0.000 1.147 204 P CA 1.838 64.606 63.100 -0.554 0.000 0.790 204 P CB 0.333 31.519 31.700 -0.856 0.000 0.780 205 F N -4.603 115.186 119.950 -0.268 0.000 2.686 205 F HA 0.314 nan 4.527 nan 0.000 0.365 205 F C -0.731 174.958 175.800 -0.186 0.000 1.196 205 F CA -0.197 57.491 58.000 -0.519 0.000 1.198 205 F CB 0.029 38.338 39.000 -1.152 0.000 1.454 205 F HN -0.580 7.585 8.300 -0.140 0.051 0.539 206 V N 2.264 122.344 119.914 0.278 0.000 2.599 206 V HA 0.111 nan 4.120 nan 0.000 0.237 206 V C -0.097 176.218 176.094 0.367 0.000 1.081 206 V CA 0.915 63.361 62.300 0.244 0.000 1.107 206 V CB 1.063 32.996 31.823 0.183 0.000 0.808 206 V HN 0.352 8.724 8.190 0.304 0.000 0.486 207 S N -0.017 115.911 115.700 0.380 0.000 2.500 207 S HA 0.304 nan 4.470 nan 0.000 0.301 207 S C -2.186 172.421 174.600 0.011 0.000 1.092 207 S CA -0.890 57.421 58.200 0.185 0.000 1.030 207 S CB 2.417 65.683 63.200 0.111 0.000 1.031 207 S HN -0.327 8.215 8.310 0.386 0.000 0.483 208 Q N 2.858 122.395 119.800 -0.437 0.000 2.340 208 Q HA 0.277 nan 4.340 nan 0.000 0.268 208 Q C -1.579 174.158 176.000 -0.438 0.000 1.031 208 Q CA -1.495 53.815 55.803 -0.820 0.000 0.804 208 Q CB 2.819 30.578 28.738 -1.632 0.000 1.286 208 Q HN 0.367 8.434 8.270 -0.339 0.000 0.448 209 D N 6.119 126.340 120.400 -0.299 0.000 2.339 209 D HA 0.005 nan 4.640 nan 0.000 0.256 209 D C 0.138 176.271 176.300 -0.279 0.000 1.214 209 D CA 0.087 53.971 54.000 -0.194 0.000 0.877 209 D CB 0.991 41.741 40.800 -0.084 0.000 1.111 209 D HN 0.399 8.604 8.370 -0.276 0.000 0.478 210 L N 4.383 125.396 121.223 -0.350 0.000 2.376 210 L HA -0.238 nan 4.340 nan 0.000 0.219 210 L C 1.832 178.430 176.870 -0.454 0.000 1.133 210 L CA 1.723 56.319 54.840 -0.406 0.000 0.816 210 L CB -0.796 41.026 42.059 -0.395 0.000 0.933 210 L HN 0.648 8.687 8.230 -0.319 0.000 0.449 211 H N -1.654 117.367 119.070 -0.083 0.000 2.317 211 H HA -0.114 nan 4.556 nan 0.000 0.304 211 H C 1.816 177.106 175.328 -0.062 0.000 1.067 211 H CA 3.269 59.281 56.048 -0.061 0.000 1.352 211 H CB 0.112 29.846 29.762 -0.045 0.000 1.398 211 H HN -0.475 7.579 8.280 -0.579 -0.122 0.510 212 T N -1.273 113.297 114.554 0.028 0.000 3.081 212 T HA 0.216 nan 4.350 nan 0.000 0.255 212 T C -0.225 174.439 174.700 -0.061 0.000 1.113 212 T CA 1.057 63.153 62.100 -0.006 0.000 1.082 212 T CB 0.637 69.511 68.868 0.010 0.000 0.939 212 T HN -0.262 8.334 8.240 0.039 -0.333 0.506 213 R N -3.983 116.440 120.500 -0.128 0.000 4.023 213 R HA -0.498 nan 4.340 nan 0.000 0.368 213 R C -1.008 175.185 176.300 -0.178 0.000 1.187 213 R CA 1.082 57.074 56.100 -0.181 0.000 1.089 213 R CB -2.768 27.457 30.300 -0.125 0.000 1.574 213 R HN 0.291 8.416 8.270 -0.153 0.054 0.564 214 R N -2.065 118.363 120.500 -0.121 0.000 2.404 214 R HA 0.174 nan 4.340 nan 0.000 0.291 214 R C -0.869 175.399 176.300 -0.055 0.000 1.025 214 R CA -0.580 55.505 56.100 -0.024 0.000 0.991 214 R CB 1.065 31.377 30.300 0.020 0.000 1.053 214 R HN -0.538 7.610 8.270 -0.106 0.058 0.479 215 W N 3.624 124.951 121.300 0.044 0.000 2.438 215 W HA 0.231 nan 4.660 nan 0.000 0.324 215 W C -0.248 176.272 176.519 0.003 0.000 1.119 215 W CA -0.670 56.710 57.345 0.059 0.000 1.221 215 W CB 1.325 30.880 29.460 0.159 0.000 1.253 215 W HN 0.215 8.619 8.180 0.373 0.000 0.555 216 K N 1.151 121.725 120.400 0.291 0.000 2.267 216 K HA 0.516 nan 4.320 nan 0.000 0.246 216 K C -0.854 175.831 176.600 0.142 0.000 0.954 216 K CA -1.418 54.958 56.287 0.148 0.000 0.824 216 K CB 2.705 35.271 32.500 0.110 0.000 1.167 216 K HN 0.626 9.095 8.250 0.365 0.000 0.431 217 G N -0.193 108.632 108.800 0.042 0.000 2.818 217 G HA2 0.581 nan 3.960 nan 0.000 0.286 217 G HA3 0.581 nan 3.960 nan 0.000 0.286 217 G C -2.029 172.880 174.900 0.014 0.000 1.364 217 G CA -1.157 43.947 45.100 0.006 0.000 0.938 217 G HN -0.178 8.121 8.290 0.016 0.000 0.490 218 Q N -2.408 117.393 119.800 0.002 0.000 2.423 218 Q HA 0.386 nan 4.340 nan 0.000 0.278 218 Q C -2.151 173.698 176.000 -0.252 0.000 1.097 218 Q CA -1.451 54.287 55.803 -0.109 0.000 0.809 218 Q CB 4.740 33.410 28.738 -0.113 0.000 1.391 218 Q HN 0.281 8.563 8.270 0.020 0.000 0.428 219 C N 2.373 121.420 119.300 -0.422 0.000 2.396 219 C HA 0.846 nan 4.460 nan 0.000 0.321 219 C C -1.729 172.908 174.990 -0.589 0.000 1.233 219 C CA -2.073 56.804 59.018 -0.236 0.000 1.440 219 C CB 0.642 28.499 27.740 0.196 0.000 2.110 219 C HN 0.425 8.387 8.230 -0.446 0.000 0.473 220 Y N 3.900 124.110 120.300 -0.151 0.000 2.524 220 Y HA 0.579 nan 4.550 nan 0.000 0.344 220 Y C -1.796 174.101 175.900 -0.004 0.000 1.012 220 Y CA -2.112 55.702 58.100 -0.476 0.000 1.068 220 Y CB 3.570 41.726 38.460 -0.507 0.000 1.249 220 Y HN 1.037 9.279 8.280 0.111 0.105 0.468 221 W N -3.124 118.235 121.300 0.099 0.000 3.137 221 W HA 0.678 nan 4.660 nan 0.000 0.324 221 W C -2.629 173.951 176.519 0.100 0.000 1.253 221 W CA -1.631 55.767 57.345 0.089 0.000 1.183 221 W CB 3.755 33.258 29.460 0.071 0.000 1.424 221 W HN 0.375 8.498 8.180 -0.095 0.000 0.566 222 G N -2.814 106.282 108.800 0.494 0.000 2.660 222 G HA2 0.794 nan 3.960 nan 0.000 0.290 222 G HA3 0.794 nan 3.960 nan 0.000 0.290 222 G C -3.750 171.350 174.900 0.333 0.000 1.432 222 G CA -0.338 44.977 45.100 0.357 0.000 0.807 222 G HN 0.124 8.689 8.290 0.458 0.000 0.485 223 L N -1.893 119.485 121.223 0.258 0.000 2.543 223 L HA 0.677 nan 4.340 nan 0.000 0.265 223 L C -3.153 173.810 176.870 0.156 0.000 0.945 223 L CA -0.733 54.213 54.840 0.176 0.000 0.869 223 L CB 3.237 45.398 42.059 0.169 0.000 1.294 223 L HN 0.195 8.570 8.230 0.242 0.000 0.405 224 S N 6.237 122.022 115.700 0.141 0.000 2.664 224 S HA 0.414 nan 4.470 nan 0.000 0.262 224 S C -1.549 173.165 174.600 0.189 0.000 1.229 224 S CA -0.242 58.037 58.200 0.133 0.000 1.151 224 S CB 1.248 64.505 63.200 0.095 0.000 1.054 224 S HN 0.846 9.125 8.310 0.129 0.108 0.483 225 Y N 9.069 129.382 120.300 0.021 0.000 2.512 225 Y HA 0.226 nan 4.550 nan 0.000 0.326 225 Y C -0.201 175.707 175.900 0.012 0.000 1.008 225 Y CA -0.514 57.590 58.100 0.008 0.000 1.139 225 Y CB 0.718 39.175 38.460 -0.005 0.000 1.137 225 Y HN 0.647 9.040 8.280 0.188 0.000 0.630 226 L N -3.229 117.921 121.223 -0.121 0.000 4.252 226 L HA -0.541 nan 4.340 nan 0.000 0.370 226 L C 0.578 177.437 176.870 -0.018 0.000 0.743 226 L CA 1.386 56.165 54.840 -0.102 0.000 2.767 226 L CB -2.041 39.900 42.059 -0.198 0.000 0.809 226 L HN 0.236 8.423 8.230 -0.072 0.000 0.696 227 G N 0.066 108.879 108.800 0.021 0.000 2.442 227 G HA2 0.025 nan 3.960 nan 0.000 0.249 227 G HA3 0.025 nan 3.960 nan 0.000 0.249 227 G C -1.781 173.167 174.900 0.082 0.000 1.263 227 G CA -0.059 45.076 45.100 0.058 0.000 0.846 227 G HN -0.328 7.914 8.290 0.017 0.058 0.555 228 T N -1.065 113.535 114.554 0.076 0.000 2.824 228 T HA 0.475 nan 4.350 nan 0.000 0.282 228 T C -1.278 173.480 174.700 0.096 0.000 0.993 228 T CA -2.079 60.073 62.100 0.086 0.000 0.967 228 T CB 1.296 70.201 68.868 0.062 0.000 0.960 228 T HN 0.037 8.315 8.240 0.063 0.000 0.441 229 N N 4.321 123.102 118.700 0.135 0.000 2.264 229 N HA 0.459 nan 4.740 nan 0.000 0.288 229 N C -2.363 173.230 175.510 0.138 0.000 1.094 229 N CA 0.361 53.510 53.050 0.164 0.000 0.817 229 N CB 4.568 43.218 38.487 0.271 0.000 1.604 229 N HN 0.554 9.025 8.380 0.151 0.000 0.473 230 I N -4.253 116.259 120.570 -0.096 0.000 3.006 230 I HA 0.477 nan 4.170 nan 0.000 0.306 230 I C -0.985 174.583 176.117 -0.915 0.000 1.250 230 I CA -2.492 58.560 61.300 -0.415 0.000 0.996 230 I CB 3.566 41.455 38.000 -0.185 0.000 1.261 230 I HN -0.252 7.908 8.210 -0.083 0.000 0.442 231 H N 5.258 123.542 119.070 -1.310 0.000 3.115 231 H HA -0.174 nan 4.556 nan 0.000 0.324 231 H C -0.940 174.087 175.328 -0.503 0.000 1.007 231 H CA 1.378 56.736 56.048 -1.151 0.000 1.385 231 H CB 0.617 29.916 29.762 -0.772 0.000 1.351 231 H HN 0.294 8.046 8.280 -0.880 0.000 0.592 232 S N 5.848 121.148 115.700 -0.667 0.000 2.571 232 S HA -0.143 nan 4.470 nan 0.000 0.297 232 S C -1.170 173.100 174.600 -0.550 0.000 1.234 232 S CA 0.944 58.878 58.200 -0.444 0.000 1.120 232 S CB 0.323 63.340 63.200 -0.305 0.000 0.923 232 S HN 0.426 8.369 8.310 -0.611 0.000 0.504 233 L N 7.665 128.738 121.223 -0.251 0.000 2.530 233 L HA -0.012 nan 4.340 nan 0.000 0.273 233 L C -1.215 175.628 176.870 -0.046 0.000 1.141 233 L CA 0.736 55.537 54.840 -0.065 0.000 0.905 233 L CB -0.115 41.964 42.059 0.033 0.000 1.202 233 L HN 0.195 8.324 8.230 -0.168 0.000 0.473 234 L N 1.780 123.015 121.223 0.020 0.000 2.400 234 L HA 0.472 nan 4.340 nan 0.000 0.261 234 L C -2.483 174.523 176.870 0.228 0.000 1.554 234 L CA -2.474 52.410 54.840 0.073 0.000 0.774 234 L CB -0.049 41.974 42.059 -0.059 0.000 0.964 234 L HN -0.232 8.165 8.230 0.278 0.000 0.524 235 P HA 0.309 nan 4.420 nan 0.000 0.274 235 P C -1.705 175.692 177.300 0.162 0.000 1.231 235 P CA -2.265 60.992 63.100 0.262 0.000 0.790 235 P CB -0.625 31.276 31.700 0.334 0.000 0.951 236 P HA -0.065 nan 4.420 nan 0.000 0.240 236 P C -1.117 176.259 177.300 0.125 0.000 1.594 236 P CA 0.443 63.609 63.100 0.109 0.000 1.184 236 P CB -1.705 30.054 31.700 0.097 0.000 1.915 237 V N 2.478 122.466 119.914 0.124 0.000 3.415 237 V HA 0.081 nan 4.120 nan 0.000 0.204 237 V C -0.498 175.651 176.094 0.093 0.000 1.365 237 V CA 1.916 64.293 62.300 0.130 0.000 1.310 237 V CB 1.616 33.535 31.823 0.161 0.000 1.231 237 V HN 0.167 8.392 8.190 0.112 0.032 0.538 238 S N -2.740 113.011 115.700 0.086 0.000 2.661 238 S HA 0.280 nan 4.470 nan 0.000 0.245 238 S C 0.271 174.903 174.600 0.054 0.000 1.117 238 S CA -0.373 57.865 58.200 0.063 0.000 1.091 238 S CB 0.452 63.687 63.200 0.059 0.000 0.887 238 S HN -0.414 7.956 8.310 0.100 0.000 0.491 239 T N -0.280 114.307 114.554 0.055 0.000 3.413 239 T HA 0.316 nan 4.350 nan 0.000 0.187 239 T C -0.139 174.584 174.700 0.037 0.000 0.961 239 T CA 1.233 63.358 62.100 0.042 0.000 1.085 239 T CB 0.306 69.200 68.868 0.044 0.000 1.345 239 T HN -0.501 7.776 8.240 0.063 0.000 0.326 240 R N 0.299 120.824 120.500 0.042 0.000 2.093 240 R HA -0.071 nan 4.340 nan 0.000 0.224 240 R C 0.689 177.012 176.300 0.039 0.000 1.101 240 R CA 1.687 57.810 56.100 0.037 0.000 0.979 240 R CB -0.193 30.131 30.300 0.040 0.000 0.877 240 R HN 0.180 8.480 8.270 0.049 0.000 0.441 241 S N 2.067 117.796 115.700 0.048 0.000 2.686 241 S HA -0.075 nan 4.470 nan 0.000 0.324 241 S C -0.393 174.233 174.600 0.043 0.000 1.172 241 S CA -0.323 57.906 58.200 0.049 0.000 1.127 241 S CB -1.123 62.115 63.200 0.063 0.000 1.338 241 S HN -0.188 8.155 8.310 0.055 0.000 0.547 242 N N 5.060 123.781 118.700 0.035 0.000 2.721 242 N HA -0.418 nan 4.740 nan 0.000 0.249 242 N C -1.275 174.253 175.510 0.029 0.000 1.072 242 N CA 1.534 54.603 53.050 0.030 0.000 0.710 242 N CB -0.575 37.931 38.487 0.031 0.000 0.993 242 N HN 0.231 8.631 8.380 0.033 0.000 0.547 243 S N -3.990 111.727 115.700 0.029 0.000 5.444 243 S HA 0.058 nan 4.470 nan 0.000 0.141 243 S C -1.060 173.554 174.600 0.023 0.000 1.258 243 S CA 0.569 58.785 58.200 0.027 0.000 1.126 243 S CB 1.013 64.232 63.200 0.032 0.000 2.053 243 S HN -0.472 7.856 8.310 0.030 0.000 0.692 244 E N 3.115 123.329 120.200 0.024 0.000 1.979 244 E HA 0.055 nan 4.350 nan 0.000 0.285 244 E C -1.362 175.247 176.600 0.016 0.000 1.188 244 E CA -0.677 55.733 56.400 0.018 0.000 1.214 244 E CB -2.166 27.544 29.700 0.016 0.000 1.210 244 E HN 0.071 8.448 8.360 0.028 0.000 0.477 245 A N 2.480 125.310 122.820 0.016 0.000 2.959 245 A HA 0.154 nan 4.320 nan 0.000 0.280 245 A C -0.365 177.227 177.584 0.012 0.000 0.953 245 A CA 0.120 52.166 52.037 0.015 0.000 1.047 245 A CB 0.403 19.414 19.000 0.018 0.000 1.147 245 A HN -0.153 7.946 8.150 0.017 0.061 0.489 246 Q N -0.628 119.178 119.800 0.010 0.000 2.599 246 Q HA 0.268 nan 4.340 nan 0.000 0.229 246 Q C 0.396 176.400 176.000 0.007 0.000 0.800 246 Q CA 1.918 57.726 55.803 0.009 0.000 0.937 246 Q CB 0.698 29.442 28.738 0.010 0.000 1.285 246 Q HN 0.408 8.684 8.270 0.010 0.000 0.600 247 S N -2.994 112.709 115.700 0.006 0.000 5.768 247 S HA 0.027 nan 4.470 nan 0.000 0.129 247 S C -0.910 173.691 174.600 0.003 0.000 1.124 247 S CA -0.130 58.073 58.200 0.004 0.000 1.411 247 S CB 1.229 64.432 63.200 0.005 0.000 1.995 247 S HN -0.144 8.170 8.310 0.007 0.000 0.565 248 Q N 2.917 122.719 119.800 0.003 0.000 3.345 248 Q HA 0.146 nan 4.340 nan 0.000 0.204 248 Q C -1.962 174.040 176.000 0.003 0.000 0.847 248 Q CA 0.589 56.393 55.803 0.001 0.000 0.780 248 Q CB 1.642 30.380 28.738 -0.000 0.000 1.426 248 Q HN -0.179 8.094 8.270 0.005 0.000 0.460 249 G N 1.464 110.267 108.800 0.005 0.000 2.377 249 G HA2 0.260 nan 3.960 nan 0.000 0.316 249 G HA3 0.260 nan 3.960 nan 0.000 0.316 249 G C -1.639 173.264 174.900 0.006 0.000 1.115 249 G CA 0.245 45.350 45.100 0.008 0.000 0.952 249 G HN 0.123 8.415 8.290 0.004 0.000 0.441 250 T N 5.667 120.224 114.554 0.005 0.000 3.583 250 T HA 0.152 nan 4.350 nan 0.000 0.266 250 T C -1.174 173.530 174.700 0.006 0.000 1.296 250 T CA 0.264 62.365 62.100 0.002 0.000 1.668 250 T CB -0.228 68.637 68.868 -0.005 0.000 0.832 250 T HN 0.245 8.489 8.240 0.007 0.000 0.649 251 Q N 0.677 120.484 119.800 0.012 0.000 2.303 251 Q HA 0.230 nan 4.340 nan 0.000 0.303 251 Q C -1.534 174.478 176.000 0.020 0.000 0.831 251 Q CA -0.511 55.301 55.803 0.015 0.000 1.066 251 Q CB 0.012 28.761 28.738 0.019 0.000 1.354 251 Q HN 0.022 8.300 8.270 0.013 0.000 0.394 252 N N 0.995 119.706 118.700 0.018 0.000 2.620 252 N HA 0.374 nan 4.740 nan 0.000 0.307 252 N C -1.697 173.823 175.510 0.017 0.000 1.316 252 N CA -1.853 51.209 53.050 0.022 0.000 0.931 252 N CB -1.999 36.502 38.487 0.023 0.000 1.116 252 N HN -0.727 7.662 8.380 0.014 0.000 0.573 253 P HA -0.202 nan 4.420 nan 0.000 0.216 253 P C 0.467 177.765 177.300 -0.004 0.000 1.157 253 P CA 2.519 65.620 63.100 0.002 0.000 0.880 253 P CB 0.036 31.732 31.700 -0.007 0.000 0.791 254 S N -3.090 112.610 115.700 0.000 0.000 3.072 254 S HA 0.096 nan 4.470 nan 0.000 0.306 254 S C -0.408 174.192 174.600 -0.001 0.000 1.207 254 S CA 0.460 58.659 58.200 -0.002 0.000 1.008 254 S CB -1.271 61.933 63.200 0.006 0.000 1.390 254 S HN 0.014 8.328 8.310 0.007 0.000 0.523 255 S N 0.682 116.381 115.700 -0.003 0.000 1.815 255 S HA -0.261 nan 4.470 nan 0.000 0.240 255 S C -1.033 173.567 174.600 -0.000 0.000 1.262 255 S CA 0.519 58.718 58.200 -0.001 0.000 1.069 255 S CB -0.095 63.106 63.200 0.002 0.000 1.331 255 S HN 0.184 8.455 8.310 -0.007 0.035 0.597 256 E N 3.438 123.638 120.200 -0.001 0.000 2.606 256 E HA -0.148 nan 4.350 nan 0.000 0.248 256 E C 1.227 177.819 176.600 -0.013 0.000 1.005 256 E CA 1.047 57.448 56.400 0.001 0.000 0.946 256 E CB -0.059 29.642 29.700 0.001 0.000 0.928 256 E HN -0.710 7.512 8.360 -0.002 0.137 0.494 257 G N 6.331 115.137 108.800 0.008 0.000 2.113 257 G HA2 -0.393 nan 3.960 nan 0.000 0.253 257 G HA3 -0.393 nan 3.960 nan 0.000 0.253 257 G C 0.356 175.237 174.900 -0.032 0.000 0.781 257 G CA 0.446 45.553 45.100 0.013 0.000 1.077 257 G HN 0.638 8.941 8.290 0.022 0.000 0.396 258 S N -0.525 115.160 115.700 -0.025 0.000 4.121 258 S HA -0.545 nan 4.470 nan 0.000 0.536 258 S C -0.796 173.763 174.600 -0.068 0.000 1.276 258 S CA 2.519 60.699 58.200 -0.033 0.000 3.653 258 S CB -0.199 62.991 63.200 -0.016 0.000 1.971 258 S HN 0.534 8.830 8.310 -0.010 0.009 0.457 259 C N -2.618 116.618 119.300 -0.106 0.000 3.038 259 C HA 0.280 nan 4.460 nan 0.000 0.371 259 C C -1.436 173.450 174.990 -0.173 0.000 1.115 259 C CA -0.575 58.350 59.018 -0.154 0.000 1.091 259 C CB 1.706 29.396 27.740 -0.083 0.000 1.426 259 C HN -0.011 8.130 8.230 -0.095 0.032 0.542 260 R N 1.200 121.540 120.500 -0.267 0.000 2.185 260 R HA -0.125 nan 4.340 nan 0.000 0.029 260 R C -0.544 175.693 176.300 -0.106 0.000 0.821 260 R CA 0.673 56.694 56.100 -0.131 0.000 3.402 260 R CB -0.135 30.192 30.300 0.046 0.000 0.828 260 R HN 0.475 8.530 8.270 -0.358 0.000 0.566 261 F N -1.880 118.085 119.950 0.025 0.000 2.731 261 F HA 0.174 nan 4.527 nan 0.000 0.298 261 F C -1.190 174.629 175.800 0.032 0.000 1.106 261 F CA -0.818 57.197 58.000 0.025 0.000 1.329 261 F CB 0.460 39.475 39.000 0.026 0.000 1.100 261 F HN 0.117 7.580 8.300 -1.394 0.000 0.592 262 S N -0.490 115.198 115.700 -0.021 0.000 2.566 262 S HA 0.040 nan 4.470 nan 0.000 0.273 262 S C -1.249 173.376 174.600 0.043 0.000 1.157 262 S CA -0.862 57.388 58.200 0.082 0.000 0.938 262 S CB 3.225 66.544 63.200 0.199 0.000 1.087 262 S HN -0.883 7.259 8.310 -0.280 0.000 0.474 263 V N 2.463 122.424 119.914 0.079 0.000 2.465 263 V HA 0.180 nan 4.120 nan 0.000 0.279 263 V C -0.960 175.207 176.094 0.123 0.000 1.045 263 V CA -0.685 61.672 62.300 0.095 0.000 0.938 263 V CB 0.293 32.206 31.823 0.149 0.000 0.986 263 V HN 0.107 8.352 8.190 0.092 0.000 0.467 264 V N 5.889 125.878 119.914 0.126 0.000 2.398 264 V HA 0.733 nan 4.120 nan 0.000 0.286 264 V C -0.894 175.303 176.094 0.172 0.000 1.026 264 V CA -1.322 61.103 62.300 0.209 0.000 0.868 264 V CB 0.728 32.657 31.823 0.176 0.000 0.982 264 V HN -0.323 8.110 8.190 0.087 -0.191 0.443 265 I N 7.171 127.872 120.570 0.219 0.000 2.545 265 I HA 0.595 nan 4.170 nan 0.000 0.292 265 I C -1.669 174.574 176.117 0.211 0.000 1.040 265 I CA -1.324 60.061 61.300 0.142 0.000 1.068 265 I CB 3.361 41.433 38.000 0.120 0.000 1.251 265 I HN 1.078 9.472 8.210 0.306 0.000 0.424 266 S N 5.130 120.928 115.700 0.164 0.000 2.537 266 S HA 0.871 nan 4.470 nan 0.000 0.301 266 S C -1.076 173.653 174.600 0.215 0.000 1.092 266 S CA -1.674 56.632 58.200 0.176 0.000 1.048 266 S CB 1.985 65.206 63.200 0.034 0.000 1.053 266 S HN 0.563 8.949 8.310 0.127 0.000 0.501 267 T N -2.991 111.684 114.554 0.201 0.000 2.864 267 T HA 0.556 nan 4.350 nan 0.000 0.299 267 T C -1.346 173.475 174.700 0.201 0.000 1.166 267 T CA -1.854 60.381 62.100 0.225 0.000 1.007 267 T CB 3.429 72.381 68.868 0.141 0.000 1.219 267 T HN 0.481 8.833 8.240 0.186 0.000 0.506 268 S N 0.286 116.126 115.700 0.232 0.000 2.624 268 S HA 0.239 nan 4.470 nan 0.000 0.263 268 S C 1.875 176.556 174.600 0.134 0.000 1.287 268 S CA -0.520 57.810 58.200 0.217 0.000 0.990 268 S CB 1.132 64.534 63.200 0.337 0.000 0.950 268 S HN 0.255 8.709 8.310 0.239 0.000 0.561 269 E N 2.649 122.925 120.200 0.127 0.000 2.169 269 E HA -0.271 nan 4.350 nan 0.000 0.202 269 E C 0.582 177.212 176.600 0.051 0.000 1.016 269 E CA 2.699 59.150 56.400 0.084 0.000 0.817 269 E CB -0.279 29.463 29.700 0.069 0.000 0.736 269 E HN 0.744 9.194 8.360 0.150 0.000 0.462 270 K N -4.629 115.801 120.400 0.050 0.000 2.387 270 K HA 0.148 nan 4.320 nan 0.000 0.203 270 K C -0.506 176.073 176.600 -0.034 0.000 1.030 270 K CA -1.002 55.291 56.287 0.010 0.000 1.099 270 K CB 0.571 33.083 32.500 0.020 0.000 0.863 270 K HN -0.742 7.495 8.250 0.083 0.063 0.529 271 E N 1.942 122.118 120.200 -0.040 0.000 2.417 271 E HA -0.107 nan 4.350 nan 0.000 0.261 271 E C -0.176 176.382 176.600 -0.070 0.000 1.000 271 E CA 0.798 57.137 56.400 -0.103 0.000 0.919 271 E CB 0.627 30.288 29.700 -0.065 0.000 0.955 271 E HN -0.495 7.711 8.360 0.007 0.159 0.455 272 T N 8.336 122.834 114.554 -0.094 0.000 3.374 272 T HA 0.305 nan 4.350 nan 0.000 0.267 272 T C -0.053 174.611 174.700 -0.059 0.000 0.996 272 T CA -0.102 61.960 62.100 -0.062 0.000 0.977 272 T CB -1.362 67.472 68.868 -0.057 0.000 1.149 272 T HN 0.706 8.863 8.240 -0.139 0.000 0.517 273 I N -3.489 117.049 120.570 -0.054 0.000 3.744 273 I HA 0.448 nan 4.170 nan 0.000 0.240 273 I C -0.178 175.927 176.117 -0.020 0.000 1.096 273 I CA 0.759 62.035 61.300 -0.040 0.000 1.558 273 I CB 0.737 38.711 38.000 -0.043 0.000 1.531 273 I HN -0.414 7.851 8.210 -0.054 -0.087 0.459 274 K N 0.600 120.999 120.400 -0.002 0.000 2.234 274 K HA 0.309 nan 4.320 nan 0.000 0.263 274 K C -1.284 175.329 176.600 0.023 0.000 1.006 274 K CA -0.998 55.289 56.287 0.001 0.000 0.854 274 K CB 1.797 34.291 32.500 -0.010 0.000 1.497 274 K HN -0.231 8.025 8.250 0.010 0.000 0.417 275 G N -1.731 107.079 108.800 0.016 0.000 2.692 275 G HA2 0.204 nan 3.960 nan 0.000 0.291 275 G HA3 0.204 nan 3.960 nan 0.000 0.291 275 G C -1.925 172.977 174.900 0.002 0.000 1.423 275 G CA -0.586 44.534 45.100 0.033 0.000 0.843 275 G HN -0.438 7.849 8.290 -0.006 0.000 0.486 276 A N 0.582 123.413 122.820 0.018 0.000 3.951 276 A HA 0.422 nan 4.320 nan 0.000 0.167 276 A C -0.954 176.606 177.584 -0.039 0.000 1.664 276 A CA 0.500 52.511 52.037 -0.043 0.000 1.093 276 A CB 0.575 19.584 19.000 0.015 0.000 1.149 276 A HN 0.124 8.312 8.150 0.063 0.000 0.424 277 L N -0.569 120.642 121.223 -0.019 0.000 2.596 277 L HA 0.260 nan 4.340 nan 0.000 0.265 277 L C 0.153 177.030 176.870 0.012 0.000 0.962 277 L CA 0.122 54.954 54.840 -0.013 0.000 0.891 277 L CB 2.914 44.951 42.059 -0.037 0.000 1.248 277 L HN -0.079 8.150 8.230 -0.002 0.000 0.410 278 S N 6.662 122.380 115.700 0.031 0.000 2.365 278 S HA -0.332 nan 4.470 nan 0.000 0.221 278 S C 0.624 175.279 174.600 0.093 0.000 1.037 278 S CA 2.874 61.106 58.200 0.055 0.000 1.060 278 S CB 0.067 63.296 63.200 0.048 0.000 0.974 278 S HN 0.695 9.020 8.310 0.024 0.000 0.427 279 H N 0.753 119.823 119.070 -0.000 0.000 2.563 279 H HA -0.014 nan 4.556 nan 0.000 0.272 279 H C -0.259 175.070 175.328 0.001 0.000 1.005 279 H CA 0.168 56.217 56.048 0.001 0.000 1.171 279 H CB 0.351 30.108 29.762 -0.009 0.000 1.351 279 H HN 0.049 8.429 8.280 0.167 0.000 0.602 280 V N 0.299 120.167 119.914 -0.076 0.000 2.283 280 V HA -0.200 nan 4.120 nan 0.000 0.239 280 V C 0.687 176.759 176.094 -0.037 0.000 1.035 280 V CA 2.899 65.125 62.300 -0.124 0.000 1.018 280 V CB 0.938 32.710 31.823 -0.085 0.000 0.658 280 V HN -0.279 7.834 8.190 -0.008 0.072 0.459 281 C N -8.677 110.634 119.300 0.018 0.000 4.403 281 C HA 0.502 nan 4.460 nan 0.000 0.408 281 C C -0.113 174.931 174.990 0.090 0.000 1.714 281 C CA -1.095 57.963 59.018 0.068 0.000 2.002 281 C CB 2.691 30.465 27.740 0.056 0.000 3.129 281 C HN -0.291 7.948 8.230 0.016 0.000 0.662 282 G N 1.346 110.190 108.800 0.073 0.000 2.343 282 G HA2 -0.027 nan 3.960 nan 0.000 0.289 282 G HA3 -0.027 nan 3.960 nan 0.000 0.289 282 G C -3.495 171.438 174.900 0.054 0.000 1.295 282 G CA 0.537 45.682 45.100 0.075 0.000 0.869 282 G HN -0.830 7.493 8.290 0.056 0.000 0.522 283 E N -0.722 119.502 120.200 0.039 0.000 3.451 283 E HA -0.023 nan 4.350 nan 0.000 0.263 283 E C -0.573 176.002 176.600 -0.041 0.000 1.087 283 E CA 0.070 56.478 56.400 0.014 0.000 1.287 283 E CB 0.313 30.014 29.700 0.001 0.000 1.227 283 E HN 0.272 8.655 8.360 0.039 0.000 0.390 284 R N 1.564 122.052 120.500 -0.019 0.000 3.266 284 R HA 0.196 nan 4.340 nan 0.000 0.224 284 R C -1.540 174.667 176.300 -0.156 0.000 1.525 284 R CA -0.797 55.226 56.100 -0.128 0.000 1.364 284 R CB -0.648 29.713 30.300 0.103 0.000 1.276 284 R HN -0.379 7.919 8.270 0.045 0.000 0.660 285 I N -0.774 119.662 120.570 -0.223 0.000 2.377 285 I HA 0.512 nan 4.170 nan 0.000 0.293 285 I C -1.511 174.460 176.117 -0.242 0.000 0.987 285 I CA -0.893 60.360 61.300 -0.077 0.000 1.185 285 I CB 1.784 39.792 38.000 0.014 0.000 1.341 285 I HN -0.581 7.455 8.210 -0.245 0.027 0.455 286 F N 7.366 127.345 119.950 0.048 0.000 2.508 286 F HA 0.358 nan 4.527 nan 0.000 0.325 286 F C -0.817 175.018 175.800 0.060 0.000 1.090 286 F CA -1.857 56.172 58.000 0.048 0.000 0.945 286 F CB 3.791 42.817 39.000 0.043 0.000 1.156 286 F HN 0.701 9.212 8.300 0.353 0.000 0.463 287 R N 1.313 121.953 120.500 0.234 0.000 2.536 287 R HA 0.742 nan 4.340 nan 0.000 0.279 287 R C -1.255 175.170 176.300 0.208 0.000 1.001 287 R CA -1.327 54.881 56.100 0.181 0.000 1.027 287 R CB 1.077 31.456 30.300 0.130 0.000 1.096 287 R HN 0.281 8.689 8.270 0.231 0.000 0.502 288 A N 1.064 123.997 122.820 0.188 0.000 2.555 288 A HA 0.352 nan 4.320 nan 0.000 0.297 288 A C -2.247 175.457 177.584 0.201 0.000 1.060 288 A CA -0.458 51.715 52.037 0.226 0.000 0.710 288 A CB 3.951 23.097 19.000 0.244 0.000 1.282 288 A HN 0.230 8.481 8.150 0.168 0.000 0.399 289 A N 1.248 124.186 122.820 0.198 0.000 2.257 289 A HA 0.525 nan 4.320 nan 0.000 0.289 289 A C -0.198 177.497 177.584 0.185 0.000 1.095 289 A CA -1.241 50.896 52.037 0.168 0.000 0.836 289 A CB 0.576 19.663 19.000 0.145 0.000 1.111 289 A HN 0.450 8.717 8.150 0.194 0.000 0.497 290 G N -1.541 107.348 108.800 0.148 0.000 3.439 290 G HA2 -0.245 nan 3.960 nan 0.000 0.684 290 G HA3 -0.245 nan 3.960 nan 0.000 0.684 290 G C -0.016 174.918 174.900 0.057 0.000 1.005 290 G CA -0.577 44.603 45.100 0.134 0.000 0.837 290 G HN -0.005 8.373 8.290 0.146 0.000 0.470 291 A N 5.857 128.701 122.820 0.040 0.000 1.898 291 A HA -0.049 nan 4.320 nan 0.000 0.216 291 A C 1.442 179.005 177.584 -0.035 0.000 1.181 291 A CA 2.777 54.812 52.037 -0.003 0.000 0.620 291 A CB 0.082 19.090 19.000 0.013 0.000 0.819 291 A HN 0.387 8.641 8.150 0.072 -0.062 0.442 292 G N -2.931 105.879 108.800 0.016 0.000 2.421 292 G HA2 -0.238 nan 3.960 nan 0.000 0.217 292 G HA3 -0.238 nan 3.960 nan 0.000 0.217 292 G C 0.637 175.511 174.900 -0.042 0.000 1.143 292 G CA 1.617 46.720 45.100 0.005 0.000 0.784 292 G HN -0.008 8.602 8.290 0.050 -0.290 0.541 293 Y N 2.544 122.774 120.300 -0.117 0.000 2.163 293 Y HA -0.313 nan 4.550 nan 0.000 0.288 293 Y C 1.257 177.034 175.900 -0.206 0.000 1.136 293 Y CA 2.230 60.251 58.100 -0.132 0.000 1.147 293 Y CB -0.111 38.302 38.460 -0.078 0.000 0.987 293 Y HN -0.443 7.912 8.280 0.126 0.000 0.509 294 K N -1.649 118.482 120.400 -0.447 0.000 2.103 294 K HA -0.491 nan 4.320 nan 0.000 0.207 294 K C 2.668 178.890 176.600 -0.631 0.000 1.048 294 K CA 3.568 59.428 56.287 -0.710 0.000 0.930 294 K CB -0.375 31.451 32.500 -1.123 0.000 0.716 294 K HN 0.007 8.008 8.250 -0.234 0.109 0.444 295 S N 0.395 115.840 115.700 -0.425 0.000 2.382 295 S HA -0.286 nan 4.470 nan 0.000 0.228 295 S C 1.593 176.055 174.600 -0.230 0.000 1.027 295 S CA 3.847 61.952 58.200 -0.158 0.000 0.991 295 S CB -0.179 62.999 63.200 -0.037 0.000 0.823 295 S HN -0.590 7.479 8.310 -0.402 0.000 0.469 296 L N 2.005 123.037 121.223 -0.319 0.000 2.046 296 L HA -0.358 nan 4.340 nan 0.000 0.208 296 L C 1.315 177.940 176.870 -0.409 0.000 1.077 296 L CA 3.283 57.888 54.840 -0.391 0.000 0.747 296 L CB -0.330 41.472 42.059 -0.428 0.000 0.896 296 L HN -0.401 7.557 8.230 -0.320 0.080 0.432 297 C N -1.943 117.059 119.300 -0.496 0.000 2.413 297 C HA -0.344 nan 4.460 nan 0.000 0.277 297 C C 2.523 177.364 174.990 -0.248 0.000 1.265 297 C CA 4.553 63.330 59.018 -0.400 0.000 1.752 297 C CB -1.856 25.614 27.740 -0.449 0.000 1.998 297 C HN 0.071 7.917 8.230 -0.638 0.000 0.489 298 V N 0.815 120.606 119.914 -0.206 0.000 2.379 298 V HA -0.320 nan 4.120 nan 0.000 0.245 298 V C 2.140 178.161 176.094 -0.122 0.000 1.044 298 V CA 3.773 65.999 62.300 -0.124 0.000 1.036 298 V CB -0.386 31.393 31.823 -0.075 0.000 0.664 298 V HN -0.556 7.375 8.190 -0.237 0.117 0.453 299 I N 0.101 120.581 120.570 -0.151 0.000 2.127 299 I HA -0.629 nan 4.170 nan 0.000 0.241 299 I C 1.492 177.541 176.117 -0.112 0.000 1.075 299 I CA 4.311 65.531 61.300 -0.134 0.000 1.334 299 I CB 0.096 37.989 38.000 -0.180 0.000 1.040 299 I HN -0.185 7.918 8.210 -0.178 0.000 0.405 300 L N -6.056 115.078 121.223 -0.148 0.000 2.362 300 L HA -0.286 nan 4.340 nan 0.000 0.219 300 L C 1.075 177.908 176.870 -0.063 0.000 1.134 300 L CA 1.344 56.130 54.840 -0.092 0.000 0.807 300 L CB -0.043 41.945 42.059 -0.117 0.000 0.927 300 L HN 0.161 8.265 8.230 -0.210 0.000 0.447 301 G N -2.273 106.480 108.800 -0.078 0.000 2.175 301 G HA2 -0.340 nan 3.960 nan 0.000 0.244 301 G HA3 -0.340 nan 3.960 nan 0.000 0.244 301 G C 0.450 175.309 174.900 -0.069 0.000 0.982 301 G CA 1.085 46.150 45.100 -0.057 0.000 0.641 301 G HN -0.502 7.555 8.290 -0.098 0.174 0.527 302 L N -1.373 119.788 121.223 -0.102 0.000 2.109 302 L HA -0.089 nan 4.340 nan 0.000 0.207 302 L C -0.891 175.890 176.870 -0.149 0.000 1.086 302 L CA 1.771 56.533 54.840 -0.130 0.000 0.760 302 L CB 0.358 42.320 42.059 -0.162 0.000 0.910 302 L HN -0.194 7.920 8.230 -0.121 0.043 0.437 303 A N -5.392 117.347 122.820 -0.135 0.000 2.354 303 A HA 0.273 nan 4.320 nan 0.000 0.321 303 A C -1.778 175.779 177.584 -0.045 0.000 1.125 303 A CA -1.386 50.601 52.037 -0.083 0.000 0.799 303 A CB 2.819 21.765 19.000 -0.091 0.000 1.293 303 A HN -0.635 7.326 8.150 -0.142 0.104 0.452 304 D N -1.404 118.989 120.400 -0.011 0.000 2.324 304 D HA 0.236 nan 4.640 nan 0.000 0.212 304 D C -0.359 175.926 176.300 -0.025 0.000 0.984 304 D CA 2.761 56.754 54.000 -0.011 0.000 0.885 304 D CB 1.890 42.693 40.800 0.004 0.000 0.996 304 D HN 0.146 8.413 8.370 0.015 0.113 0.505 305 I N -4.393 116.144 120.570 -0.056 0.000 2.802 305 I HA 0.427 nan 4.170 nan 0.000 0.298 305 I C -2.532 173.568 176.117 -0.028 0.000 1.176 305 I CA -1.274 59.946 61.300 -0.133 0.000 1.025 305 I CB 4.415 42.153 38.000 -0.436 0.000 1.243 305 I HN -0.759 7.434 8.210 -0.029 0.000 0.424 306 Y N 6.157 126.363 120.300 -0.157 0.000 2.346 306 Y HA 0.613 nan 4.550 nan 0.000 0.332 306 Y C -2.829 173.018 175.900 -0.089 0.000 0.985 306 Y CA -2.584 55.461 58.100 -0.092 0.000 1.112 306 Y CB 2.129 40.545 38.460 -0.074 0.000 1.170 306 Y HN 0.048 8.313 8.280 -0.024 0.000 0.447 307 I N 6.749 127.273 120.570 -0.077 0.000 2.474 307 I HA 0.621 nan 4.170 nan 0.000 0.294 307 I C -2.513 173.548 176.117 -0.094 0.000 1.005 307 I CA -1.199 59.999 61.300 -0.169 0.000 1.113 307 I CB 2.519 40.492 38.000 -0.045 0.000 1.289 307 I HN -0.321 7.993 8.210 0.174 0.000 0.436 308 F N 6.124 125.899 119.950 -0.291 0.000 2.562 308 F HA 0.459 nan 4.527 nan 0.000 0.319 308 F C -1.415 174.310 175.800 -0.125 0.000 1.154 308 F CA -1.541 56.364 58.000 -0.158 0.000 0.931 308 F CB 4.073 42.949 39.000 -0.206 0.000 1.198 308 F HN 0.294 8.510 8.300 -0.140 0.000 0.444 309 S N 7.143 122.607 115.700 -0.394 0.000 2.470 309 S HA 0.013 nan 4.470 nan 0.000 0.222 309 S C 0.326 174.816 174.600 -0.184 0.000 1.024 309 S CA 1.101 59.172 58.200 -0.216 0.000 0.931 309 S CB 0.968 64.056 63.200 -0.187 0.000 0.791 309 S HN 0.287 8.495 8.310 -0.635 -0.279 0.513 310 E N 0.497 120.496 120.200 -0.334 0.000 2.385 310 E HA 0.042 nan 4.350 nan 0.000 0.254 310 E C -0.773 175.912 176.600 0.142 0.000 1.228 310 E CA -0.415 55.935 56.400 -0.084 0.000 0.956 310 E CB 1.418 31.050 29.700 -0.114 0.000 1.116 310 E HN -0.112 7.736 8.360 -0.853 0.000 0.507 311 D N -2.456 117.978 120.400 0.056 0.000 2.328 311 D HA 0.056 nan 4.640 nan 0.000 0.226 311 D C -0.363 175.818 176.300 -0.197 0.000 1.066 311 D CA 0.795 54.760 54.000 -0.059 0.000 0.861 311 D CB 0.258 41.018 40.800 -0.068 0.000 0.912 311 D HN 0.060 8.446 8.370 0.026 0.000 0.521 312 T N -5.781 108.744 114.554 -0.049 0.000 3.251 312 T HA 0.106 nan 4.350 nan 0.000 0.259 312 T C 0.078 174.409 174.700 -0.616 0.000 0.998 312 T CA -1.057 60.891 62.100 -0.252 0.000 0.905 312 T CB -0.408 68.538 68.868 0.130 0.000 1.067 312 T HN -0.465 7.880 8.240 0.301 0.075 0.569 313 T N 3.449 117.500 114.554 -0.838 0.000 2.895 313 T HA 0.491 nan 4.350 nan 0.000 0.283 313 T C -1.845 172.181 174.700 -1.123 0.000 1.014 313 T CA 0.161 61.751 62.100 -0.849 0.000 1.037 313 T CB 2.084 70.516 68.868 -0.728 0.000 1.006 313 T HN -0.242 7.564 8.240 -0.617 0.063 0.468 314 F N 1.738 121.338 119.950 -0.583 0.000 2.679 314 F HA 0.637 nan 4.527 nan 0.000 0.341 314 F C 0.427 175.650 175.800 -0.962 0.000 1.095 314 F CA -1.861 55.589 58.000 -0.917 0.000 1.004 314 F CB 2.991 40.985 39.000 -1.677 0.000 1.388 314 F HN -0.151 8.079 8.300 -0.493 -0.226 0.505 315 K N -0.101 119.773 120.400 -0.876 0.000 2.057 315 K HA -0.296 nan 4.320 nan 0.000 0.207 315 K C 2.113 178.299 176.600 -0.690 0.000 1.049 315 K CA 2.990 58.831 56.287 -0.743 0.000 0.931 315 K CB -0.606 31.123 32.500 -1.286 0.000 0.714 315 K HN 0.427 8.153 8.250 -0.873 0.000 0.440 316 W N -4.817 116.184 121.300 -0.499 0.000 2.364 316 W HA -0.130 nan 4.660 nan 0.000 0.281 316 W C 0.781 177.273 176.519 -0.045 0.000 1.219 316 W CA 1.700 58.961 57.345 -0.141 0.000 1.220 316 W CB -1.239 28.221 29.460 -0.001 0.000 1.127 316 W HN -0.051 7.510 8.180 -1.033 0.000 0.556 317 D N -2.424 117.959 120.400 -0.029 0.000 2.234 317 D HA -0.030 nan 4.640 nan 0.000 0.205 317 D C 0.718 177.021 176.300 0.006 0.000 0.962 317 D CA 2.665 56.695 54.000 0.050 0.000 0.855 317 D CB 0.611 41.392 40.800 -0.032 0.000 0.951 317 D HN -0.572 7.493 8.370 -0.437 0.042 0.500 318 S N -3.134 112.547 115.700 -0.033 0.000 2.506 318 S HA 0.173 nan 4.470 nan 0.000 0.219 318 S C 1.582 176.196 174.600 0.024 0.000 1.031 318 S CA 1.052 59.278 58.200 0.043 0.000 0.911 318 S CB 1.761 65.014 63.200 0.089 0.000 0.812 318 S HN -0.793 7.358 8.310 -0.102 0.098 0.497 319 C N 2.270 121.463 119.300 -0.178 0.000 2.436 319 C HA -0.359 nan 4.460 nan 0.000 0.277 319 C C 1.293 176.179 174.990 -0.173 0.000 1.241 319 C CA 4.519 63.240 59.018 -0.496 0.000 1.721 319 C CB -1.763 25.628 27.740 -0.582 0.000 2.043 319 C HN 0.127 8.259 8.230 -0.164 0.000 0.472 320 A N -0.004 122.792 122.820 -0.041 0.000 1.917 320 A HA -0.429 nan 4.320 nan 0.000 0.219 320 A C 1.516 179.118 177.584 0.030 0.000 1.182 320 A CA 3.461 55.507 52.037 0.015 0.000 0.633 320 A CB -0.980 18.047 19.000 0.046 0.000 0.819 320 A HN 0.578 8.721 8.150 -0.012 0.000 0.448 321 A N -1.373 121.465 122.820 0.030 0.000 1.872 321 A HA -0.267 nan 4.320 nan 0.000 0.214 321 A C 1.817 179.439 177.584 0.063 0.000 1.187 321 A CA 2.524 54.578 52.037 0.027 0.000 0.614 321 A CB -0.855 18.155 19.000 0.017 0.000 0.826 321 A HN -0.297 7.857 8.150 0.025 0.011 0.442 322 H N -0.034 119.020 119.070 -0.025 0.000 2.387 322 H HA -0.438 nan 4.556 nan 0.000 0.299 322 H C 1.963 177.284 175.328 -0.010 0.000 1.099 322 H CA 3.058 59.100 56.048 -0.009 0.000 1.315 322 H CB 0.359 30.170 29.762 0.081 0.000 1.380 322 H HN 0.425 8.793 8.280 0.148 0.000 0.513 323 A N -1.140 121.738 122.820 0.098 0.000 1.898 323 A HA -0.269 nan 4.320 nan 0.000 0.216 323 A C 1.881 179.511 177.584 0.077 0.000 1.181 323 A CA 3.106 55.176 52.037 0.056 0.000 0.620 323 A CB -0.700 18.314 19.000 0.023 0.000 0.819 323 A HN -0.313 7.859 8.150 0.057 0.013 0.442 324 I N -1.338 119.273 120.570 0.068 0.000 2.286 324 I HA -0.496 nan 4.170 nan 0.000 0.248 324 I C 1.933 178.065 176.117 0.025 0.000 1.115 324 I CA 3.680 65.013 61.300 0.056 0.000 1.392 324 I CB -0.161 37.862 38.000 0.037 0.000 1.065 324 I HN -0.665 7.583 8.210 0.063 0.000 0.418 325 L N -1.049 120.180 121.223 0.010 0.000 2.056 325 L HA -0.323 nan 4.340 nan 0.000 0.207 325 L C 1.956 178.817 176.870 -0.015 0.000 1.078 325 L CA 2.810 57.624 54.840 -0.043 0.000 0.749 325 L CB -0.884 41.115 42.059 -0.099 0.000 0.901 325 L HN -0.420 7.812 8.230 0.026 0.014 0.433 326 R N -1.375 119.161 120.500 0.060 0.000 2.081 326 R HA -0.358 nan 4.340 nan 0.000 0.235 326 R C 2.561 178.894 176.300 0.055 0.000 1.131 326 R CA 3.601 59.745 56.100 0.073 0.000 0.960 326 R CB -0.286 30.076 30.300 0.104 0.000 0.856 326 R HN 0.068 8.327 8.270 0.109 0.077 0.436 327 A N -1.220 121.635 122.820 0.058 0.000 2.178 327 A HA -0.138 nan 4.320 nan 0.000 0.218 327 A C 0.751 178.356 177.584 0.034 0.000 1.157 327 A CA 2.499 54.570 52.037 0.057 0.000 0.689 327 A CB -0.565 18.480 19.000 0.075 0.000 0.787 327 A HN -0.141 8.047 8.150 0.064 0.000 0.465 328 M N -4.312 115.299 119.600 0.018 0.000 2.313 328 M HA 0.097 nan 4.480 nan 0.000 0.273 328 M C 0.218 176.528 176.300 0.017 0.000 1.049 328 M CA 0.005 55.309 55.300 0.008 0.000 1.004 328 M CB 1.252 33.846 32.600 -0.010 0.000 1.461 328 M HN -0.494 7.635 8.290 0.014 0.169 0.514 329 G N -2.371 106.446 108.800 0.028 0.000 2.192 329 G HA2 -0.225 nan 3.960 nan 0.000 0.193 329 G HA3 -0.225 nan 3.960 nan 0.000 0.193 329 G C -0.789 174.157 174.900 0.078 0.000 0.999 329 G CA -0.374 44.759 45.100 0.056 0.000 0.659 329 G HN -0.155 8.032 8.290 0.027 0.119 0.503 330 G N -0.030 108.750 108.800 -0.032 0.000 2.828 330 G HA2 0.867 nan 3.960 nan 0.000 0.244 330 G HA3 0.867 nan 3.960 nan 0.000 0.244 330 G C -2.385 172.249 174.900 -0.443 0.000 1.365 330 G CA -1.498 43.422 45.100 -0.300 0.000 1.041 330 G HN -0.236 8.030 8.290 -0.040 0.000 0.560 331 G N -3.140 105.087 108.800 -0.956 0.000 2.364 331 G HA2 0.292 nan 3.960 nan 0.000 0.286 331 G HA3 0.292 nan 3.960 nan 0.000 0.286 331 G C -2.801 171.615 174.900 -0.807 0.000 1.241 331 G CA 0.327 45.091 45.100 -0.559 0.000 0.887 331 G HN -0.303 7.064 8.290 -1.539 0.000 0.484 332 M N -1.651 117.480 119.600 -0.781 0.000 2.255 332 M HA 0.417 nan 4.480 nan 0.000 0.275 332 M C -2.245 173.914 176.300 -0.234 0.000 1.050 332 M CA 0.103 55.094 55.300 -0.515 0.000 0.978 332 M CB 4.618 36.861 32.600 -0.596 0.000 1.761 332 M HN -0.259 7.860 8.290 -0.692 -0.245 0.479 333 V N 3.100 122.989 119.914 -0.041 0.000 2.628 333 V HA 0.608 nan 4.120 nan 0.000 0.306 333 V C -2.036 174.046 176.094 -0.021 0.000 1.045 333 V CA -1.865 60.453 62.300 0.029 0.000 0.905 333 V CB 3.964 35.862 31.823 0.125 0.000 0.997 333 V HN 0.189 8.361 8.190 -0.031 0.000 0.436 334 D N 5.124 125.509 120.400 -0.025 0.000 2.425 334 D HA -0.040 nan 4.640 nan 0.000 0.247 334 D C 0.082 176.366 176.300 -0.027 0.000 1.147 334 D CA 0.965 54.939 54.000 -0.042 0.000 0.879 334 D CB 1.888 42.663 40.800 -0.042 0.000 1.179 334 D HN -0.087 8.277 8.370 -0.010 0.000 0.456 335 L N 6.923 128.126 121.223 -0.032 0.000 1.973 335 L HA -0.187 nan 4.340 nan 0.000 0.208 335 L C 0.998 177.861 176.870 -0.011 0.000 1.073 335 L CA 2.805 57.637 54.840 -0.013 0.000 0.746 335 L CB 0.199 42.248 42.059 -0.016 0.000 0.891 335 L HN 0.040 8.112 8.230 -0.046 0.130 0.433 336 K N -0.901 119.486 120.400 -0.022 0.000 2.044 336 K HA -0.493 nan 4.320 nan 0.000 0.210 336 K C 2.293 178.882 176.600 -0.019 0.000 1.049 336 K CA 3.495 59.769 56.287 -0.023 0.000 0.927 336 K CB -0.268 32.215 32.500 -0.029 0.000 0.713 336 K HN 0.032 8.265 8.250 -0.028 0.000 0.443 337 E N -2.235 117.953 120.200 -0.019 0.000 2.153 337 E HA -0.212 nan 4.350 nan 0.000 0.194 337 E C 2.301 178.895 176.600 -0.010 0.000 0.988 337 E CA 2.769 59.160 56.400 -0.015 0.000 0.811 337 E CB -0.480 29.212 29.700 -0.014 0.000 0.746 337 E HN -0.473 8.132 8.360 -0.023 -0.258 0.466 338 C N -1.369 117.928 119.300 -0.006 0.000 2.457 338 C HA -0.061 nan 4.460 nan 0.000 0.278 338 C C 1.730 176.715 174.990 -0.009 0.000 1.309 338 C CA 2.142 61.158 59.018 -0.003 0.000 1.735 338 C CB -0.750 26.996 27.740 0.010 0.000 1.992 338 C HN -0.496 7.646 8.230 -0.005 0.085 0.493 339 L N -1.945 119.272 121.223 -0.010 0.000 2.465 339 L HA -0.221 nan 4.340 nan 0.000 0.224 339 L C 1.009 177.867 176.870 -0.020 0.000 1.145 339 L CA 1.978 56.808 54.840 -0.018 0.000 0.834 339 L CB -0.355 41.693 42.059 -0.018 0.000 0.944 339 L HN -0.090 8.051 8.230 -0.007 0.085 0.451 340 E N -1.654 118.535 120.200 -0.018 0.000 2.175 340 E HA 0.058 nan 4.350 nan 0.000 0.193 340 E C -0.182 176.409 176.600 -0.016 0.000 0.962 340 E CA 0.474 56.864 56.400 -0.017 0.000 0.981 340 E CB 0.963 30.653 29.700 -0.017 0.000 1.093 340 E HN -0.469 7.704 8.360 -0.015 0.178 0.483 341 R N 2.476 122.969 120.500 -0.013 0.000 2.351 341 R HA -0.064 nan 4.340 nan 0.000 0.321 341 R C -0.930 175.362 176.300 -0.013 0.000 1.182 341 R CA -0.399 55.694 56.100 -0.011 0.000 1.011 341 R CB -0.466 29.830 30.300 -0.008 0.000 1.048 341 R HN -0.598 7.664 8.270 -0.012 0.000 0.490 342 N N 8.179 126.870 118.700 -0.015 0.000 2.294 342 N HA -0.132 nan 4.740 nan 0.000 0.248 342 N C -0.568 174.932 175.510 -0.018 0.000 1.242 342 N CA -0.312 52.726 53.050 -0.019 0.000 0.848 342 N CB 0.566 39.042 38.487 -0.020 0.000 1.084 342 N HN -0.282 8.082 8.380 -0.015 0.007 0.457 343 P HA -0.307 nan 4.420 nan 0.000 0.218 343 P C 0.010 177.299 177.300 -0.018 0.000 1.150 343 P CA 2.543 65.630 63.100 -0.022 0.000 0.841 343 P CB 0.175 31.856 31.700 -0.031 0.000 0.784 344 D N -5.194 115.197 120.400 -0.015 0.000 2.563 344 D HA 0.220 nan 4.640 nan 0.000 0.237 344 D C -0.463 175.833 176.300 -0.006 0.000 1.282 344 D CA -0.278 53.715 54.000 -0.012 0.000 0.816 344 D CB 1.387 42.179 40.800 -0.013 0.000 1.066 344 D HN -0.286 8.076 8.370 -0.013 0.000 0.501 345 T N 4.886 119.436 114.554 -0.006 0.000 4.309 345 T HA 0.136 nan 4.350 nan 0.000 0.242 345 T C -0.497 174.202 174.700 -0.001 0.000 1.142 345 T CA -0.084 62.013 62.100 -0.004 0.000 1.042 345 T CB -2.157 66.708 68.868 -0.006 0.000 1.366 345 T HN -0.710 7.449 8.240 -0.008 0.076 0.942 346 G N 4.305 113.106 108.800 0.002 0.000 3.373 346 G HA2 -0.203 nan 3.960 nan 0.000 0.685 346 G HA3 -0.203 nan 3.960 nan 0.000 0.685 346 G C -1.208 173.697 174.900 0.008 0.000 1.166 346 G CA -0.364 44.740 45.100 0.006 0.000 1.063 346 G HN -0.240 7.985 8.290 0.001 0.066 0.481 347 L N 2.690 123.920 121.223 0.011 0.000 2.185 347 L HA 0.247 nan 4.340 nan 0.000 0.202 347 L C 1.165 178.050 176.870 0.025 0.000 1.234 347 L CA 1.159 56.007 54.840 0.014 0.000 1.175 347 L CB 0.661 42.728 42.059 0.013 0.000 1.136 347 L HN -0.034 8.203 8.230 0.012 0.000 0.643 348 D N -0.691 119.731 120.400 0.037 0.000 2.400 348 D HA 0.108 nan 4.640 nan 0.000 0.243 348 D C 1.093 177.428 176.300 0.058 0.000 1.184 348 D CA 0.952 54.986 54.000 0.057 0.000 0.853 348 D CB -1.607 39.236 40.800 0.072 0.000 0.944 348 D HN 0.478 8.869 8.370 0.034 0.000 0.501 349 L N -0.036 121.213 121.223 0.042 0.000 2.270 349 L HA 0.074 nan 4.340 nan 0.000 0.210 349 L C -0.760 176.132 176.870 0.037 0.000 1.104 349 L CA 1.849 56.713 54.840 0.039 0.000 0.804 349 L CB -1.769 40.308 42.059 0.030 0.000 0.937 349 L HN -0.647 7.495 8.230 0.035 0.109 0.450 350 P HA 0.081 nan 4.420 nan 0.000 0.258 350 P C -1.194 176.133 177.300 0.044 0.000 1.403 350 P CA -0.476 62.639 63.100 0.025 0.000 0.826 350 P CB -0.760 30.949 31.700 0.015 0.000 1.414 351 Q N -0.688 119.159 119.800 0.078 0.000 2.337 351 Q HA -0.114 nan 4.340 nan 0.000 0.270 351 Q C 0.081 176.142 176.000 0.100 0.000 1.002 351 Q CA 0.136 56.022 55.803 0.138 0.000 0.888 351 Q CB 0.472 29.332 28.738 0.203 0.000 1.222 351 Q HN -0.751 7.477 8.270 0.075 0.087 0.400 352 L N 3.319 124.611 121.223 0.115 0.000 2.514 352 L HA -0.121 nan 4.340 nan 0.000 0.280 352 L C -0.191 176.547 176.870 -0.220 0.000 1.223 352 L CA 0.753 55.539 54.840 -0.089 0.000 0.864 352 L CB -0.162 41.811 42.059 -0.143 0.000 1.118 352 L HN 0.063 8.379 8.230 0.142 0.000 0.494 353 V N -3.675 115.998 119.914 -0.402 0.000 2.769 353 V HA 0.524 nan 4.120 nan 0.000 0.312 353 V C -1.157 174.603 176.094 -0.557 0.000 1.061 353 V CA -2.586 59.519 62.300 -0.326 0.000 0.931 353 V CB 2.011 33.803 31.823 -0.052 0.000 1.010 353 V HN -0.173 7.795 8.190 -0.369 0.000 0.433 354 Y N 0.732 121.042 120.300 0.018 0.000 2.500 354 Y HA 0.281 nan 4.550 nan 0.000 0.246 354 Y C 0.558 176.499 175.900 0.068 0.000 1.146 354 Y CA 0.792 58.862 58.100 -0.052 0.000 1.230 354 Y CB 0.943 39.216 38.460 -0.312 0.000 1.214 354 Y HN 0.131 8.453 8.280 0.070 0.000 0.526 355 H N -2.185 117.013 119.070 0.213 0.000 2.520 355 H HA -0.054 nan 4.556 nan 0.000 0.279 355 H C -0.940 174.662 175.328 0.457 0.000 0.990 355 H CA 0.523 56.809 56.048 0.397 0.000 1.288 355 H CB -0.718 29.294 29.762 0.416 0.000 1.446 355 H HN -0.077 8.454 8.280 0.417 0.000 0.538 356 V N -3.750 116.406 119.914 0.403 0.000 2.612 356 V HA 0.312 nan 4.120 nan 0.000 0.301 356 V C -0.562 175.567 176.094 0.059 0.000 1.046 356 V CA -2.030 60.322 62.300 0.087 0.000 0.946 356 V CB 1.855 33.633 31.823 -0.073 0.000 1.003 356 V HN -0.760 7.737 8.190 0.511 0.000 0.459 357 G N 0.674 109.323 108.800 -0.252 0.000 2.535 357 G HA2 0.218 nan 3.960 nan 0.000 0.303 357 G HA3 0.218 nan 3.960 nan 0.000 0.303 357 G C -1.823 172.897 174.900 -0.300 0.000 1.237 357 G CA -1.336 43.423 45.100 -0.568 0.000 0.986 357 G HN -0.126 8.035 8.290 -0.214 0.000 0.494 358 N N -0.201 118.330 118.700 -0.282 0.000 2.699 358 N HA 0.072 nan 4.740 nan 0.000 0.232 358 N C -0.257 175.167 175.510 -0.144 0.000 1.027 358 N CA -0.949 52.001 53.050 -0.168 0.000 0.920 358 N CB 0.222 38.632 38.487 -0.129 0.000 1.148 358 N HN -0.201 7.964 8.380 -0.358 0.000 0.509 359 E N 4.423 124.548 120.200 -0.125 0.000 3.562 359 E HA -0.418 nan 4.350 nan 0.000 0.298 359 E C -0.025 176.517 176.600 -0.097 0.000 0.830 359 E CA 1.085 57.428 56.400 -0.095 0.000 1.013 359 E CB -0.767 28.891 29.700 -0.069 0.000 1.510 359 E HN 0.663 8.947 8.360 -0.128 0.000 0.463 360 G N -3.503 105.219 108.800 -0.130 0.000 2.203 360 G HA2 -0.474 nan 3.960 nan 0.000 0.263 360 G HA3 -0.474 nan 3.960 nan 0.000 0.263 360 G C 0.348 175.204 174.900 -0.073 0.000 1.012 360 G CA 0.253 45.286 45.100 -0.111 0.000 0.749 360 G HN -0.002 8.108 8.290 -0.174 0.076 0.512 361 A N 1.530 124.308 122.820 -0.070 0.000 1.832 361 A HA -0.128 nan 4.320 nan 0.000 0.214 361 A C 1.332 178.898 177.584 -0.030 0.000 1.200 361 A CA 2.416 54.427 52.037 -0.045 0.000 0.610 361 A CB -0.291 18.683 19.000 -0.043 0.000 0.842 361 A HN -0.403 7.659 8.150 -0.088 0.036 0.444 362 A N -3.621 119.182 122.820 -0.027 0.000 2.261 362 A HA -0.020 nan 4.320 nan 0.000 0.208 362 A C 0.179 177.765 177.584 0.003 0.000 1.223 362 A CA -0.749 51.287 52.037 -0.001 0.000 0.833 362 A CB -0.700 18.313 19.000 0.020 0.000 0.830 362 A HN 0.368 8.493 8.150 -0.041 0.000 0.483 363 G N -0.119 108.672 108.800 -0.015 0.000 2.815 363 G HA2 -0.467 nan 3.960 nan 0.000 0.326 363 G HA3 -0.467 nan 3.960 nan 0.000 0.326 363 G C 0.862 175.761 174.900 -0.002 0.000 1.191 363 G CA 1.786 46.882 45.100 -0.008 0.000 0.965 363 G HN -0.651 7.512 8.290 -0.027 0.111 0.564 364 V N 3.028 122.961 119.914 0.031 0.000 2.626 364 V HA -0.089 nan 4.120 nan 0.000 0.252 364 V C 1.373 177.525 176.094 0.096 0.000 1.067 364 V CA 1.750 64.089 62.300 0.064 0.000 1.081 364 V CB -0.190 31.669 31.823 0.060 0.000 0.686 364 V HN -0.142 8.050 8.190 0.031 0.017 0.468 365 D N -0.434 120.017 120.400 0.086 0.000 3.139 365 D HA 0.256 nan 4.640 nan 0.000 0.268 365 D C -0.206 176.136 176.300 0.070 0.000 1.322 365 D CA -0.123 53.972 54.000 0.158 0.000 0.940 365 D CB -1.456 39.473 40.800 0.215 0.000 1.050 365 D HN -0.539 7.742 8.370 0.059 0.124 0.503 366 Q N 0.311 120.076 119.800 -0.058 0.000 2.230 366 Q HA -0.149 nan 4.340 nan 0.000 0.202 366 Q C 0.658 176.397 176.000 -0.434 0.000 0.963 366 Q CA 3.096 58.672 55.803 -0.378 0.000 0.866 366 Q CB 0.692 29.055 28.738 -0.624 0.000 0.931 366 Q HN -0.463 7.697 8.270 0.004 0.112 0.452 367 W N -2.968 118.386 121.300 0.090 0.000 2.862 367 W HA 0.148 nan 4.660 nan 0.000 0.426 367 W C -1.964 174.489 176.519 -0.110 0.000 0.950 367 W CA -2.746 54.576 57.345 -0.039 0.000 2.150 367 W CB -0.245 29.183 29.460 -0.054 0.000 1.161 367 W HN -0.191 8.092 8.180 0.259 0.052 0.696 368 A N -0.288 122.603 122.820 0.117 0.000 2.302 368 A HA 0.317 nan 4.320 nan 0.000 0.285 368 A C -0.817 176.606 177.584 -0.268 0.000 1.105 368 A CA -1.288 50.600 52.037 -0.249 0.000 0.816 368 A CB 1.017 19.841 19.000 -0.294 0.000 1.067 368 A HN -0.477 7.656 8.150 0.079 0.064 0.489 369 N N 3.316 121.790 118.700 -0.376 0.000 2.719 369 N HA 0.044 nan 4.740 nan 0.000 0.243 369 N C 0.651 176.034 175.510 -0.211 0.000 1.104 369 N CA -0.382 52.508 53.050 -0.267 0.000 0.981 369 N CB -0.282 38.037 38.487 -0.279 0.000 1.290 369 N HN 0.346 8.292 8.380 -0.560 0.098 0.513 370 K N 4.132 124.437 120.400 -0.158 0.000 2.005 370 K HA -0.389 nan 4.320 nan 0.000 0.229 370 K C 1.582 178.134 176.600 -0.081 0.000 1.050 370 K CA 3.198 59.419 56.287 -0.111 0.000 0.994 370 K CB 0.026 32.474 32.500 -0.087 0.000 0.736 370 K HN -0.395 7.729 8.250 -0.154 0.033 0.448 371 G N -2.323 106.436 108.800 -0.069 0.000 3.882 371 G HA2 0.196 nan 3.960 nan 0.000 0.283 371 G HA3 0.196 nan 3.960 nan 0.000 0.283 371 G C -1.218 173.657 174.900 -0.043 0.000 1.283 371 G CA -1.514 43.556 45.100 -0.050 0.000 1.402 371 G HN -0.252 7.994 8.290 -0.075 0.000 0.618 372 G N 0.793 109.573 108.800 -0.032 0.000 2.749 372 G HA2 -0.323 nan 3.960 nan 0.000 0.242 372 G HA3 -0.323 nan 3.960 nan 0.000 0.242 372 G C -1.573 173.293 174.900 -0.055 0.000 1.364 372 G CA 0.158 45.260 45.100 0.004 0.000 0.888 372 G HN -0.542 7.634 8.290 -0.038 0.091 0.566 373 L N -4.728 116.450 121.223 -0.076 0.000 2.491 373 L HA 0.996 nan 4.340 nan 0.000 0.254 373 L C -1.921 174.837 176.870 -0.187 0.000 1.048 373 L CA -1.619 53.135 54.840 -0.144 0.000 0.855 373 L CB 2.665 44.597 42.059 -0.211 0.000 1.466 373 L HN 0.454 8.665 8.230 -0.033 0.000 0.409 374 I N -1.470 119.003 120.570 -0.161 0.000 2.468 374 I HA 0.448 nan 4.170 nan 0.000 0.285 374 I C -1.846 174.200 176.117 -0.119 0.000 1.039 374 I CA -0.925 60.281 61.300 -0.157 0.000 1.074 374 I CB 2.601 40.569 38.000 -0.053 0.000 1.228 374 I HN 0.095 8.234 8.210 -0.118 0.000 0.436 375 A N 7.510 130.226 122.820 -0.173 0.000 2.301 375 A HA 0.874 nan 4.320 nan 0.000 0.312 375 A C -2.222 175.331 177.584 -0.052 0.000 1.182 375 A CA -1.772 50.179 52.037 -0.142 0.000 0.826 375 A CB 2.100 21.070 19.000 -0.050 0.000 1.134 375 A HN 0.917 8.820 8.150 -0.235 0.106 0.501 376 Y N -1.546 118.695 120.300 -0.098 0.000 2.597 376 Y HA 0.614 nan 4.550 nan 0.000 0.340 376 Y C -1.939 173.929 175.900 -0.054 0.000 1.097 376 Y CA -1.428 56.623 58.100 -0.082 0.000 1.037 376 Y CB 2.492 40.903 38.460 -0.082 0.000 1.305 376 Y HN -0.084 7.819 8.280 -0.628 0.000 0.463 377 R N 0.852 121.385 120.500 0.055 0.000 2.446 377 R HA 0.167 nan 4.340 nan 0.000 0.254 377 R C -1.397 174.983 176.300 0.133 0.000 0.918 377 R CA -0.465 55.632 56.100 -0.005 0.000 1.069 377 R CB 2.158 32.445 30.300 -0.022 0.000 1.194 377 R HN 0.559 8.908 8.270 0.131 0.000 0.534 378 S N -1.783 114.078 115.700 0.267 0.000 2.571 378 S HA 0.163 nan 4.470 nan 0.000 0.284 378 S C -0.005 174.707 174.600 0.187 0.000 1.128 378 S CA -1.771 56.539 58.200 0.183 0.000 0.970 378 S CB 1.796 65.043 63.200 0.078 0.000 1.039 378 S HN -0.394 8.109 8.310 0.322 0.000 0.485 379 E N 8.147 128.412 120.200 0.108 0.000 2.347 379 E HA -0.263 nan 4.350 nan 0.000 0.196 379 E C 1.440 177.974 176.600 -0.110 0.000 1.008 379 E CA 3.148 59.477 56.400 -0.119 0.000 0.852 379 E CB -0.338 29.336 29.700 -0.043 0.000 0.783 379 E HN 0.748 9.187 8.360 0.131 0.000 0.505 380 K N 0.078 120.459 120.400 -0.032 0.000 2.062 380 K HA -0.228 nan 4.320 nan 0.000 0.205 380 K C 2.095 178.678 176.600 -0.028 0.000 1.051 380 K CA 2.861 59.130 56.287 -0.029 0.000 0.941 380 K CB -0.226 32.267 32.500 -0.012 0.000 0.719 380 K HN -0.482 7.729 8.250 0.005 0.042 0.440 381 Q N -0.992 118.801 119.800 -0.011 0.000 2.124 381 Q HA -0.319 nan 4.340 nan 0.000 0.202 381 Q C 2.543 178.545 176.000 0.003 0.000 0.977 381 Q CA 2.910 58.717 55.803 0.007 0.000 0.850 381 Q CB -0.175 28.578 28.738 0.025 0.000 0.901 381 Q HN -0.468 7.733 8.270 0.004 0.072 0.429 382 L N -0.203 120.963 121.223 -0.095 0.000 2.093 382 L HA -0.283 nan 4.340 nan 0.000 0.208 382 L C 1.786 178.618 176.870 -0.063 0.000 1.085 382 L CA 3.376 58.118 54.840 -0.164 0.000 0.755 382 L CB -0.165 41.515 42.059 -0.631 0.000 0.904 382 L HN -0.001 8.079 8.230 -0.127 0.073 0.435 383 E N -1.703 118.448 120.200 -0.082 0.000 2.216 383 E HA -0.215 nan 4.350 nan 0.000 0.192 383 E C 2.493 179.084 176.600 -0.015 0.000 0.988 383 E CA 2.426 58.795 56.400 -0.051 0.000 0.834 383 E CB -0.418 29.247 29.700 -0.058 0.000 0.772 383 E HN -0.014 8.189 8.360 -0.106 0.095 0.479 384 T N 2.708 117.265 114.554 0.006 0.000 2.639 384 T HA -0.235 nan 4.350 nan 0.000 0.261 384 T C 1.801 176.527 174.700 0.044 0.000 1.053 384 T CA 4.922 67.032 62.100 0.017 0.000 1.158 384 T CB -0.327 68.555 68.868 0.025 0.000 0.863 384 T HN 0.130 8.369 8.240 -0.001 0.000 0.413 385 F N 3.008 122.930 119.950 -0.046 0.000 2.085 385 F HA -0.486 nan 4.527 nan 0.000 0.299 385 F C 0.760 176.536 175.800 -0.039 0.000 1.096 385 F CA 3.317 61.296 58.000 -0.035 0.000 1.227 385 F CB 0.188 39.172 39.000 -0.026 0.000 0.983 385 F HN -0.257 8.173 8.300 0.216 0.000 0.482 386 L N -6.412 114.789 121.223 -0.037 0.000 2.456 386 L HA -0.218 nan 4.340 nan 0.000 0.224 386 L C 1.995 178.751 176.870 -0.190 0.000 1.148 386 L CA 1.870 56.615 54.840 -0.158 0.000 0.825 386 L CB -1.298 40.763 42.059 0.004 0.000 0.937 386 L HN -0.554 7.763 8.230 0.145 0.000 0.450 387 S N 0.758 116.367 115.700 -0.151 0.000 3.054 387 S HA -0.181 nan 4.470 nan 0.000 0.243 387 S C -0.694 173.817 174.600 -0.149 0.000 1.013 387 S CA 0.610 58.737 58.200 -0.122 0.000 1.119 387 S CB -1.194 61.956 63.200 -0.082 0.000 0.838 387 S HN -0.026 8.077 8.310 -0.111 0.140 0.505 388 R N 1.217 121.592 120.500 -0.208 0.000 3.266 388 R HA 0.017 nan 4.340 nan 0.000 0.224 388 R C -1.171 175.060 176.300 -0.115 0.000 1.525 388 R CA -1.685 54.305 56.100 -0.182 0.000 1.364 388 R CB -1.657 28.486 30.300 -0.261 0.000 1.276 388 R HN -0.328 7.685 8.270 -0.258 0.103 0.660 389 L N 4.527 125.705 121.223 -0.074 0.000 2.623 389 L HA -0.115 nan 4.340 nan 0.000 0.281 389 L C -1.374 175.488 176.870 -0.014 0.000 1.150 389 L CA -0.077 54.744 54.840 -0.032 0.000 0.965 389 L CB -0.487 41.576 42.059 0.006 0.000 1.303 389 L HN -0.353 7.797 8.230 -0.078 0.033 0.467 390 L N 4.059 125.265 121.223 -0.029 0.000 2.483 390 L HA -0.378 nan 4.340 nan 0.000 0.277 390 L C -0.063 176.798 176.870 -0.015 0.000 1.248 390 L CA 2.274 57.099 54.840 -0.026 0.000 0.825 390 L CB 0.315 42.352 42.059 -0.036 0.000 1.096 390 L HN -0.203 8.001 8.230 -0.042 0.000 0.512 391 Q N -2.951 116.831 119.800 -0.029 0.000 2.315 391 Q HA -0.366 nan 4.340 nan 0.000 0.221 391 Q C -0.609 175.353 176.000 -0.064 0.000 0.780 391 Q CA 2.132 57.895 55.803 -0.066 0.000 1.357 391 Q CB -1.393 27.283 28.738 -0.104 0.000 1.766 391 Q HN 0.377 8.630 8.270 -0.030 0.000 0.613 392 H N -4.205 114.844 119.070 -0.035 0.000 3.587 392 H HA 0.075 nan 4.556 nan 0.000 0.268 392 H C 0.048 175.350 175.328 -0.043 0.000 1.128 392 H CA -0.352 55.675 56.048 -0.035 0.000 1.120 392 H CB 1.761 31.503 29.762 -0.034 0.000 2.239 392 H HN -0.427 7.794 8.280 0.081 0.108 0.826 393 L N -4.548 116.709 121.223 0.056 0.000 2.599 393 L HA 0.064 nan 4.340 nan 0.000 0.230 393 L C -0.027 176.838 176.870 -0.009 0.000 1.141 393 L CA 1.402 56.240 54.840 -0.003 0.000 0.877 393 L CB -0.330 41.714 42.059 -0.024 0.000 1.009 393 L HN -0.231 8.028 8.230 0.048 0.000 0.447 394 A N 0.180 123.006 122.820 0.011 0.000 2.067 394 A HA 0.133 nan 4.320 nan 0.000 0.217 394 A C -0.784 176.797 177.584 -0.004 0.000 1.156 394 A CA 0.629 52.670 52.037 0.008 0.000 0.683 394 A CB -1.796 17.216 19.000 0.020 0.000 0.808 394 A HN 0.232 8.332 8.150 0.037 0.072 0.455 395 P HA 0.007 nan 4.420 nan 0.000 0.259 395 P C -1.581 175.664 177.300 -0.091 0.000 1.635 395 P CA -0.192 62.864 63.100 -0.074 0.000 1.199 395 P CB -1.760 29.861 31.700 -0.132 0.000 1.850 396 V N 6.088 125.978 119.914 -0.039 0.000 2.149 396 V HA -0.044 nan 4.120 nan 0.000 0.245 396 V C -1.770 174.229 176.094 -0.159 0.000 1.349 396 V CA -0.297 61.978 62.300 -0.042 0.000 1.289 396 V CB -2.604 29.252 31.823 0.055 0.000 1.401 396 V HN 0.023 8.178 8.190 0.003 0.037 0.501 397 A N 4.760 127.420 122.820 -0.267 0.000 1.990 397 A HA -0.046 nan 4.320 nan 0.000 0.232 397 A C -1.667 175.660 177.584 -0.428 0.000 2.680 397 A CA 0.691 52.481 52.037 -0.412 0.000 2.041 397 A CB 0.484 19.201 19.000 -0.472 0.000 0.411 397 A HN -0.238 7.730 8.150 -0.215 0.053 0.918 398 T N -0.689 113.703 114.554 -0.269 0.000 2.734 398 T HA -0.128 nan 4.350 nan 0.000 0.269 398 T C 0.712 175.325 174.700 -0.144 0.000 0.964 398 T CA 0.955 62.931 62.100 -0.206 0.000 1.226 398 T CB -1.026 67.769 68.868 -0.122 0.000 0.910 398 T HN -0.046 8.070 8.240 -0.208 0.000 0.534 399 H N 3.697 122.727 119.070 -0.065 0.000 2.421 399 H HA -0.098 nan 4.556 nan 0.000 0.298 399 H C -0.297 175.007 175.328 -0.040 0.000 1.087 399 H CA 0.877 56.895 56.048 -0.049 0.000 1.330 399 H CB 0.489 30.224 29.762 -0.044 0.000 1.388 399 H HN 0.472 8.595 8.280 -0.263 0.000 0.526 400 T N 0.000 114.592 114.554 0.063 0.000 3.816 400 T HA 0.000 nan 4.350 nan 0.000 0.228 400 T CA 0.000 62.110 62.100 0.017 0.000 1.349 400 T CB 0.000 68.881 68.868 0.021 0.000 0.612 400 T HN 0.000 8.255 8.240 0.040 0.009 0.658