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 1zx9_1_A DATA FIRST_RESID 4 DATA SEQUENCE PVQVAVIGSG GAAMAAALKA VEQGAQVTLI ERGTIGGTcV NVGcVPSKIM DATA SEQUENCE IRAAHIAHLR RESPFDGGIA ATVPTIDRSK LLAQQQARVD ELRHAKYEGI DATA SEQUENCE LGGNPAITVV HGEARFKDDQ SLTVRLNEGG ERVVMFDRCL VATGASPAVP DATA SEQUENCE PIPGLKESPY WTSTEALASD TIPERLAVIG SSVVALELAQ AFARLGSKVT DATA SEQUENCE VLARNTLFFR EDPAIGEAVT AAFRAEGIEV LEHTQASQVA HMDGEFVLTT DATA SEQUENCE THGELRADKL LVATGRTPNT RSLALDAAGV TVNAQGAIVI DQGMRTSNPN DATA SEQUENCE IYAAGDCTDQ PQFVYVAAAA GTRAAINMTG GDAALDLTAM PAVVFTDPQV DATA SEQUENCE ATVGYSEAEA HHDGIETDSR TLTLDNVPRA LANFDTRGFI KLVIEEGSHR DATA SEQUENCE LIGVQAVAPE AGELIQTAAL AIRNRMTVQE LADQLFPYLT MVEGLKLAAQ DATA SEQUENCE TFN 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.311 177.300 0.018 0.000 1.155 4 P CA 0.000 63.107 63.100 0.012 0.000 0.800 4 P CB 0.000 31.706 31.700 0.009 0.000 0.726 5 V N 2.309 122.235 119.914 0.019 0.000 2.493 5 V HA 0.047 4.167 4.120 -0.000 0.000 0.292 5 V C 0.283 176.398 176.094 0.035 0.000 1.016 5 V CA 0.171 62.489 62.300 0.029 0.000 1.097 5 V CB 0.214 32.050 31.823 0.023 0.000 0.947 5 V HN 0.374 nan 8.190 nan 0.000 0.479 6 Q N 4.261 124.094 119.800 0.055 0.000 2.323 6 Q HA 0.352 4.692 4.340 -0.000 0.000 0.257 6 Q C -0.560 175.497 176.000 0.094 0.000 1.022 6 Q CA -0.098 55.747 55.803 0.070 0.000 0.919 6 Q CB 1.512 30.300 28.738 0.084 0.000 1.220 6 Q HN 0.558 nan 8.270 nan 0.000 0.427 7 V N 1.880 121.826 119.914 0.053 0.000 2.448 7 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 7 V C -0.207 175.889 176.094 0.003 0.000 1.025 7 V CA -0.904 61.410 62.300 0.023 0.000 0.859 7 V CB 1.657 33.467 31.823 -0.023 0.000 0.988 7 V HN 0.773 nan 8.190 nan 0.000 0.431 8 A N 4.915 127.712 122.820 -0.038 0.000 2.292 8 A HA 0.834 5.153 4.320 -0.000 0.000 0.319 8 A C -0.728 176.776 177.584 -0.133 0.000 1.206 8 A CA -0.482 51.505 52.037 -0.083 0.000 0.835 8 A CB 1.251 20.182 19.000 -0.116 0.000 1.164 8 A HN 0.681 nan 8.150 nan 0.000 0.505 9 V N 4.472 124.329 119.914 -0.096 0.000 2.443 9 V HA 0.311 4.431 4.120 -0.000 0.000 0.293 9 V C -0.390 175.655 176.094 -0.082 0.000 1.021 9 V CA -0.154 62.096 62.300 -0.083 0.000 0.848 9 V CB 1.347 33.138 31.823 -0.055 0.000 0.998 9 V HN 0.768 nan 8.190 nan 0.000 0.424 10 I N 4.950 125.471 120.570 -0.083 0.000 2.304 10 I HA 0.745 4.914 4.170 -0.000 0.000 0.291 10 I C 0.843 176.936 176.117 -0.041 0.000 1.018 10 I CA 0.260 61.515 61.300 -0.076 0.000 1.260 10 I CB 1.049 38.993 38.000 -0.092 0.000 1.390 10 I HN 0.880 nan 8.210 nan 0.000 0.475 11 G N 4.329 113.106 108.800 -0.038 0.000 2.497 11 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.686 11 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.686 11 G C -0.216 174.675 174.900 -0.016 0.000 1.288 11 G CA -0.230 44.856 45.100 -0.024 0.000 0.899 11 G HN 0.803 nan 8.290 nan 0.000 0.608 12 S N -0.896 114.798 115.700 -0.010 0.000 3.093 12 S HA 0.618 5.088 4.470 -0.000 0.000 0.251 12 S C 0.992 175.602 174.600 0.017 0.000 0.905 12 S CA 0.866 59.074 58.200 0.014 0.000 1.124 12 S CB 0.319 63.525 63.200 0.010 0.000 1.124 12 S HN 2.105 nan 8.310 nan 0.000 0.574 13 G N 1.121 109.925 108.800 0.006 0.000 2.509 13 G HA2 0.513 4.472 3.960 -0.000 0.000 0.269 13 G HA3 0.513 4.472 3.960 -0.000 0.000 0.269 13 G C 1.084 176.055 174.900 0.118 0.000 1.416 13 G CA -0.222 44.881 45.100 0.005 0.000 1.052 13 G HN 0.439 nan 8.290 nan 0.000 0.542 14 G N -0.188 108.689 108.800 0.128 0.000 2.469 14 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.219 14 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.219 14 G C 1.959 176.915 174.900 0.093 0.000 1.150 14 G CA 2.020 47.210 45.100 0.151 0.000 0.763 14 G HN 0.912 nan 8.290 nan 0.000 0.561 15 A N 1.136 123.991 122.820 0.058 0.000 1.855 15 A HA 0.294 4.614 4.320 -0.000 0.000 0.215 15 A C 2.864 180.468 177.584 0.032 0.000 1.191 15 A CA 2.395 54.455 52.037 0.038 0.000 0.613 15 A CB -0.946 18.069 19.000 0.024 0.000 0.829 15 A HN 0.851 nan 8.150 nan 0.000 0.442 16 A N -0.848 121.991 122.820 0.032 0.000 1.877 16 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 16 A C 2.244 179.846 177.584 0.031 0.000 1.186 16 A CA 2.011 54.060 52.037 0.021 0.000 0.620 16 A CB -0.545 18.464 19.000 0.015 0.000 0.822 16 A HN 0.439 nan 8.150 nan 0.000 0.443 17 M N -0.485 119.157 119.600 0.070 0.000 2.080 17 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 17 M C 2.548 178.863 176.300 0.025 0.000 1.068 17 M CA 1.759 57.100 55.300 0.070 0.000 1.109 17 M CB -1.298 31.384 32.600 0.137 0.000 1.342 17 M HN 0.518 nan 8.290 nan 0.000 0.405 18 A N -0.017 122.818 122.820 0.026 0.000 1.902 18 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 18 A C 2.387 179.968 177.584 -0.006 0.000 1.181 18 A CA 2.161 54.203 52.037 0.009 0.000 0.623 18 A CB -0.873 18.139 19.000 0.020 0.000 0.818 18 A HN 0.510 nan 8.150 nan 0.000 0.443 19 A N -0.166 122.649 122.820 -0.009 0.000 1.873 19 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 19 A C 2.536 180.100 177.584 -0.033 0.000 1.186 19 A CA 2.070 54.088 52.037 -0.031 0.000 0.616 19 A CB -1.123 17.853 19.000 -0.040 0.000 0.823 19 A HN 1.051 nan 8.150 nan 0.000 0.442 20 A N 0.054 122.861 122.820 -0.021 0.000 1.851 20 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 20 A C 2.188 179.759 177.584 -0.020 0.000 1.195 20 A CA 1.692 53.717 52.037 -0.021 0.000 0.622 20 A CB -0.822 18.172 19.000 -0.010 0.000 0.831 20 A HN 0.485 nan 8.150 nan 0.000 0.444 21 L N -1.084 120.129 121.223 -0.017 0.000 2.042 21 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 21 L C 2.644 179.502 176.870 -0.021 0.000 1.076 21 L CA 1.933 56.761 54.840 -0.019 0.000 0.749 21 L CB -0.465 41.580 42.059 -0.023 0.000 0.893 21 L HN 0.372 nan 8.230 nan 0.000 0.432 22 K N 0.580 120.966 120.400 -0.024 0.000 2.062 22 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 22 K C 2.058 178.640 176.600 -0.031 0.000 1.051 22 K CA 1.422 57.694 56.287 -0.026 0.000 0.941 22 K CB -0.322 32.161 32.500 -0.029 0.000 0.719 22 K HN 0.195 nan 8.250 nan 0.000 0.440 23 A N 0.148 122.945 122.820 -0.037 0.000 1.883 23 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 23 A C 2.306 179.875 177.584 -0.026 0.000 1.186 23 A CA 1.976 53.989 52.037 -0.039 0.000 0.624 23 A CB -0.873 18.099 19.000 -0.046 0.000 0.822 23 A HN 0.121 nan 8.150 nan 0.000 0.444 24 V N 0.127 120.028 119.914 -0.021 0.000 2.407 24 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 24 V C 2.476 178.562 176.094 -0.014 0.000 1.055 24 V CA 2.183 64.474 62.300 -0.015 0.000 1.049 24 V CB -0.752 31.063 31.823 -0.013 0.000 0.662 24 V HN 0.779 nan 8.190 nan 0.000 0.455 25 E N -0.080 120.110 120.200 -0.016 0.000 2.209 25 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 25 E C 1.551 178.143 176.600 -0.013 0.000 0.993 25 E CA 0.889 57.281 56.400 -0.014 0.000 0.819 25 E CB 0.091 29.782 29.700 -0.015 0.000 0.745 25 E HN 0.537 nan 8.360 nan 0.000 0.477 26 Q N -0.737 119.054 119.800 -0.015 0.000 2.212 26 Q HA 0.137 4.477 4.340 -0.000 0.000 0.213 26 Q C 0.791 176.785 176.000 -0.010 0.000 0.874 26 Q CA 0.577 56.372 55.803 -0.013 0.000 0.965 26 Q CB 0.935 29.662 28.738 -0.019 0.000 1.074 26 Q HN 0.435 nan 8.270 nan 0.000 0.473 27 G N 0.651 109.447 108.800 -0.008 0.000 2.155 27 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 27 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 27 G C 0.361 175.259 174.900 -0.003 0.000 0.983 27 G CA 0.351 45.448 45.100 -0.005 0.000 0.676 27 G HN 0.600 nan 8.290 nan 0.000 0.528 28 A N -0.736 122.080 122.820 -0.006 0.000 2.302 28 A HA 0.778 5.097 4.320 -0.000 0.000 0.285 28 A C 0.347 177.930 177.584 -0.002 0.000 1.105 28 A CA 0.202 52.237 52.037 -0.003 0.000 0.816 28 A CB 0.812 19.806 19.000 -0.009 0.000 1.067 28 A HN 0.766 nan 8.150 nan 0.000 0.489 29 Q N 0.882 120.685 119.800 0.005 0.000 2.294 29 Q HA 0.500 4.840 4.340 -0.000 0.000 0.257 29 Q C -1.214 174.789 176.000 0.005 0.000 0.955 29 Q CA 0.096 55.903 55.803 0.006 0.000 0.936 29 Q CB 0.947 29.692 28.738 0.012 0.000 1.188 29 Q HN 0.452 nan 8.270 nan 0.000 0.420 30 V N 4.205 124.117 119.914 -0.003 0.000 2.459 30 V HA 0.506 4.625 4.120 -0.000 0.000 0.295 30 V C -0.369 175.719 176.094 -0.011 0.000 1.029 30 V CA -0.662 61.633 62.300 -0.009 0.000 0.874 30 V CB 2.006 33.818 31.823 -0.017 0.000 0.985 30 V HN 0.854 nan 8.190 nan 0.000 0.438 31 T N 6.423 120.970 114.554 -0.012 0.000 2.809 31 T HA 0.522 4.872 4.350 -0.000 0.000 0.296 31 T C -0.551 174.125 174.700 -0.039 0.000 1.015 31 T CA -0.155 61.933 62.100 -0.020 0.000 0.954 31 T CB 0.908 69.775 68.868 -0.003 0.000 0.950 31 T HN 0.484 nan 8.240 nan 0.000 0.450 32 L N 4.918 126.109 121.223 -0.054 0.000 2.296 32 L HA 0.679 5.019 4.340 -0.000 0.000 0.286 32 L C -1.387 175.428 176.870 -0.092 0.000 1.023 32 L CA -0.921 53.880 54.840 -0.065 0.000 0.812 32 L CB 0.647 42.674 42.059 -0.054 0.000 1.223 32 L HN 0.514 nan 8.230 nan 0.000 0.421 33 I N 4.465 124.984 120.570 -0.086 0.000 2.362 33 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 33 I C -0.520 175.552 176.117 -0.075 0.000 0.994 33 I CA -0.228 61.017 61.300 -0.092 0.000 1.158 33 I CB 1.714 39.664 38.000 -0.082 0.000 1.315 33 I HN 0.461 nan 8.210 nan 0.000 0.451 34 E N 5.206 125.361 120.200 -0.076 0.000 2.224 34 E HA 0.431 4.781 4.350 -0.000 0.000 0.265 34 E C 0.553 177.170 176.600 0.028 0.000 0.878 34 E CA -0.735 55.651 56.400 -0.023 0.000 0.759 34 E CB 1.173 30.868 29.700 -0.009 0.000 1.164 34 E HN 0.539 nan 8.360 nan 0.000 0.414 35 R N 2.611 123.123 120.500 0.020 0.000 2.161 35 R HA 0.274 4.614 4.340 -0.000 0.000 0.213 35 R C 0.838 177.161 176.300 0.039 0.000 1.055 35 R CA 0.864 56.982 56.100 0.030 0.000 0.996 35 R CB 0.246 30.552 30.300 0.009 0.000 0.901 35 R HN 0.373 nan 8.270 nan 0.000 0.456 36 G N 0.325 109.143 108.800 0.031 0.000 3.356 36 G HA2 0.237 4.197 3.960 -0.000 0.000 0.178 36 G HA3 0.237 4.197 3.960 -0.000 0.000 0.178 36 G C -0.973 173.941 174.900 0.024 0.000 1.175 36 G CA -0.497 44.613 45.100 0.016 0.000 0.840 36 G HN 0.080 nan 8.290 nan 0.000 0.658 37 T N 2.086 116.632 114.554 -0.013 0.000 2.901 37 T HA 0.308 4.658 4.350 -0.000 0.000 0.301 37 T C 0.529 175.212 174.700 -0.028 0.000 1.012 37 T CA -0.147 61.938 62.100 -0.024 0.000 1.135 37 T CB 0.765 69.596 68.868 -0.060 0.000 0.936 37 T HN 0.115 nan 8.240 nan 0.000 0.539 38 I N 2.630 123.202 120.570 0.004 0.000 2.692 38 I HA 0.230 4.400 4.170 -0.000 0.000 0.284 38 I C 1.651 177.675 176.117 -0.155 0.000 1.159 38 I CA 1.039 62.335 61.300 -0.007 0.000 1.423 38 I CB 0.220 38.267 38.000 0.079 0.000 1.380 38 I HN 1.034 nan 8.210 nan 0.000 0.580 39 G N 3.756 112.393 108.800 -0.273 0.000 2.259 39 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 39 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 39 G C 0.754 175.331 174.900 -0.538 0.000 1.001 39 G CA 0.146 44.766 45.100 -0.799 0.000 0.627 39 G HN 1.546 nan 8.290 nan 0.000 0.501 40 G N -0.843 107.798 108.800 -0.266 0.000 2.552 40 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.265 40 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.265 40 G C 1.003 175.809 174.900 -0.157 0.000 1.234 40 G CA 1.490 46.490 45.100 -0.167 0.000 0.944 40 G HN 1.355 nan 8.290 nan 0.000 0.568 41 T N -0.403 114.087 114.554 -0.107 0.000 2.698 41 T HA -0.130 4.220 4.350 -0.000 0.000 0.260 41 T C 2.431 177.086 174.700 -0.074 0.000 1.044 41 T CA 2.472 64.525 62.100 -0.079 0.000 1.149 41 T CB -0.819 68.019 68.868 -0.050 0.000 0.864 41 T HN 1.028 nan 8.240 nan 0.000 0.419 42 c N 1.135 119.704 118.600 -0.052 0.000 2.376 42 c HA -0.086 4.484 4.570 -0.000 0.000 0.275 42 c C 2.821 176.892 174.090 -0.032 0.000 1.200 42 c CA 1.266 57.588 56.329 -0.013 0.000 1.756 42 c CB -1.232 41.305 42.510 0.046 0.000 2.050 42 c HN 0.398 nan 8.230 nan 0.000 0.460 43 V N 1.417 121.278 119.914 -0.087 0.000 2.453 43 V HA -0.073 4.047 4.120 -0.000 0.000 0.247 43 V C 2.154 178.183 176.094 -0.108 0.000 1.048 43 V CA 2.450 64.701 62.300 -0.082 0.000 1.049 43 V CB -0.616 31.122 31.823 -0.143 0.000 0.672 43 V HN 0.606 nan 8.190 nan 0.000 0.457 44 N N 0.429 119.044 118.700 -0.142 0.000 2.278 44 N HA 0.002 4.742 4.740 -0.000 0.000 0.181 44 N C 1.206 176.662 175.510 -0.090 0.000 1.023 44 N CA 2.045 55.023 53.050 -0.120 0.000 0.862 44 N CB 0.368 38.775 38.487 -0.134 0.000 1.003 44 N HN 0.570 nan 8.380 nan 0.000 0.431 45 V N -3.482 116.385 119.914 -0.078 0.000 3.172 45 V HA 0.640 4.760 4.120 -0.000 0.000 0.343 45 V C 0.594 176.662 176.094 -0.045 0.000 1.429 45 V CA -0.031 62.231 62.300 -0.064 0.000 1.149 45 V CB 0.547 32.332 31.823 -0.064 0.000 1.106 45 V HN 0.143 nan 8.190 nan 0.000 0.526 46 G N -0.037 108.739 108.800 -0.039 0.000 3.244 46 G HA2 0.178 4.138 3.960 -0.000 0.000 0.197 46 G HA3 0.178 4.138 3.960 -0.000 0.000 0.197 46 G C 1.051 175.949 174.900 -0.004 0.000 1.531 46 G CA 0.726 45.818 45.100 -0.014 0.000 0.747 46 G HN 0.282 nan 8.290 nan 0.000 0.763 47 c N 0.258 118.867 118.600 0.015 0.000 2.367 47 c HA -0.082 4.488 4.570 -0.000 0.000 0.276 47 c C 2.954 177.015 174.090 -0.047 0.000 1.195 47 c CA 1.048 57.383 56.329 0.011 0.000 1.756 47 c CB -1.445 41.097 42.510 0.053 0.000 2.046 47 c HN 0.264 nan 8.230 nan 0.000 0.453 48 V N 3.028 122.920 119.914 -0.035 0.000 2.220 48 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 48 V C 0.294 176.346 176.094 -0.069 0.000 1.049 48 V CA 2.832 65.100 62.300 -0.053 0.000 1.003 48 V CB -2.153 29.653 31.823 -0.029 0.000 0.634 48 V HN 0.430 nan 8.190 nan 0.000 0.444 49 P HA -0.137 nan 4.420 nan 0.000 0.217 49 P C 1.989 179.246 177.300 -0.072 0.000 1.150 49 P CA 2.248 65.308 63.100 -0.067 0.000 0.832 49 P CB -0.195 31.465 31.700 -0.066 0.000 0.787 50 S N 0.195 115.860 115.700 -0.059 0.000 2.368 50 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 50 S C 2.048 176.599 174.600 -0.082 0.000 1.029 50 S CA 1.123 59.295 58.200 -0.046 0.000 0.988 50 S CB -0.920 62.279 63.200 -0.000 0.000 0.838 50 S HN -0.013 nan 8.310 nan 0.000 0.462 51 K N 1.360 121.673 120.400 -0.144 0.000 2.097 51 K HA 0.257 4.577 4.320 -0.000 0.000 0.205 51 K C 1.912 178.422 176.600 -0.150 0.000 1.050 51 K CA 1.160 57.308 56.287 -0.232 0.000 0.938 51 K CB -0.595 31.677 32.500 -0.381 0.000 0.718 51 K HN 0.482 nan 8.250 nan 0.000 0.442 52 I N 0.083 120.584 120.570 -0.115 0.000 2.252 52 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 52 I C 2.391 178.460 176.117 -0.080 0.000 1.102 52 I CA 1.163 62.411 61.300 -0.087 0.000 1.385 52 I CB -0.151 37.804 38.000 -0.075 0.000 1.064 52 I HN 0.223 nan 8.210 nan 0.000 0.414 53 M N 0.563 120.108 119.600 -0.093 0.000 2.175 53 M HA -0.192 4.288 4.480 -0.000 0.000 0.264 53 M C 2.227 178.472 176.300 -0.091 0.000 1.063 53 M CA 1.862 57.093 55.300 -0.116 0.000 1.119 53 M CB 0.001 32.504 32.600 -0.163 0.000 1.377 53 M HN 0.139 nan 8.290 nan 0.000 0.415 54 I N -0.454 120.081 120.570 -0.059 0.000 2.315 54 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 54 I C 2.471 178.604 176.117 0.026 0.000 1.117 54 I CA 0.824 62.120 61.300 -0.007 0.000 1.404 54 I CB -0.377 37.637 38.000 0.023 0.000 1.071 54 I HN 0.287 nan 8.210 nan 0.000 0.419 55 R N 1.667 122.163 120.500 -0.007 0.000 2.092 55 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 55 R C 2.172 178.505 176.300 0.055 0.000 1.119 55 R CA 1.741 57.852 56.100 0.017 0.000 0.970 55 R CB -0.673 29.608 30.300 -0.032 0.000 0.864 55 R HN 0.303 nan 8.270 nan 0.000 0.440 56 A N 0.315 123.140 122.820 0.008 0.000 1.902 56 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 56 A C 2.356 179.952 177.584 0.021 0.000 1.181 56 A CA 1.708 53.747 52.037 0.004 0.000 0.623 56 A CB -1.025 17.953 19.000 -0.037 0.000 0.818 56 A HN 0.463 nan 8.150 nan 0.000 0.443 57 A N -1.065 121.761 122.820 0.010 0.000 1.933 57 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 57 A C 1.979 179.609 177.584 0.077 0.000 1.175 57 A CA 2.068 54.113 52.037 0.014 0.000 0.628 57 A CB -0.835 18.154 19.000 -0.019 0.000 0.814 57 A HN 0.780 nan 8.150 nan 0.000 0.444 58 H N -0.407 118.680 119.070 0.028 0.000 2.353 58 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 58 H C 1.777 177.158 175.328 0.089 0.000 1.090 58 H CA 1.899 57.988 56.048 0.069 0.000 1.327 58 H CB -0.006 29.787 29.762 0.052 0.000 1.383 58 H HN 0.343 nan 8.280 nan 0.000 0.508 59 I N 0.645 121.303 120.570 0.146 0.000 2.252 59 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 59 I C 2.675 178.803 176.117 0.019 0.000 1.102 59 I CA 1.279 62.625 61.300 0.077 0.000 1.385 59 I CB -1.696 36.346 38.000 0.071 0.000 1.064 59 I HN 0.434 nan 8.210 nan 0.000 0.414 60 A N 0.216 123.053 122.820 0.028 0.000 1.908 60 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 60 A C 2.316 179.909 177.584 0.016 0.000 1.181 60 A CA 2.207 54.254 52.037 0.016 0.000 0.627 60 A CB -1.111 17.901 19.000 0.019 0.000 0.818 60 A HN 0.555 nan 8.150 nan 0.000 0.445 61 H N -0.115 118.909 119.070 -0.076 0.000 2.321 61 H HA 0.004 4.559 4.556 -0.000 0.000 0.300 61 H C 1.686 176.954 175.328 -0.100 0.000 1.087 61 H CA 1.960 57.954 56.048 -0.091 0.000 1.319 61 H CB -0.289 29.398 29.762 -0.124 0.000 1.379 61 H HN 0.340 nan 8.280 nan 0.000 0.501 62 L N -0.161 120.940 121.223 -0.204 0.000 2.275 62 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 62 L C 2.465 179.246 176.870 -0.148 0.000 1.119 62 L CA 0.979 55.688 54.840 -0.219 0.000 0.790 62 L CB -0.249 41.725 42.059 -0.142 0.000 0.919 62 L HN 0.315 nan 8.230 nan 0.000 0.443 63 R N -0.537 119.901 120.500 -0.103 0.000 2.153 63 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 63 R C 2.311 178.564 176.300 -0.079 0.000 1.072 63 R CA 0.529 56.588 56.100 -0.068 0.000 0.990 63 R CB -0.042 30.236 30.300 -0.037 0.000 0.889 63 R HN 0.265 nan 8.270 nan 0.000 0.452 64 R N 1.314 121.746 120.500 -0.113 0.000 2.127 64 R HA -0.035 4.305 4.340 -0.000 0.000 0.217 64 R C -0.198 176.021 176.300 -0.136 0.000 1.074 64 R CA 1.008 57.046 56.100 -0.103 0.000 0.991 64 R CB 0.468 30.718 30.300 -0.083 0.000 0.895 64 R HN 0.233 nan 8.270 nan 0.000 0.450 65 E N -0.693 119.367 120.200 -0.232 0.000 2.396 65 E HA 0.308 4.658 4.350 -0.000 0.000 0.280 65 E C -1.637 174.838 176.600 -0.208 0.000 1.065 65 E CA -0.931 55.351 56.400 -0.197 0.000 0.831 65 E CB 1.579 31.170 29.700 -0.181 0.000 1.272 65 E HN 0.125 nan 8.360 nan 0.000 0.443 66 S N -0.407 115.246 115.700 -0.078 0.000 2.595 66 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 66 S C -2.690 171.944 174.600 0.056 0.000 1.145 66 S CA -1.002 57.208 58.200 0.017 0.000 0.825 66 S CB 1.371 64.620 63.200 0.080 0.000 1.107 66 S HN 0.356 nan 8.310 nan 0.000 0.461 67 P HA 0.230 nan 4.420 nan 0.000 0.234 67 P C 0.062 177.181 177.300 -0.302 0.000 1.167 67 P CA 0.721 63.785 63.100 -0.059 0.000 0.763 67 P CB -0.197 31.503 31.700 -0.000 0.000 0.835 68 F N -1.268 118.621 119.950 -0.101 0.000 2.647 68 F HA 0.141 4.668 4.527 -0.000 0.000 0.300 68 F C 1.306 177.042 175.800 -0.107 0.000 1.106 68 F CA -0.072 57.842 58.000 -0.143 0.000 1.313 68 F CB -0.355 38.582 39.000 -0.105 0.000 1.007 68 F HN -0.191 nan 8.300 nan 0.000 0.536 69 D N 0.252 120.669 120.400 0.028 0.000 2.351 69 D HA -0.103 4.537 4.640 -0.000 0.000 0.216 69 D C 2.431 178.721 176.300 -0.017 0.000 0.968 69 D CA 0.993 54.995 54.000 0.005 0.000 0.899 69 D CB -0.269 40.522 40.800 -0.016 0.000 0.907 69 D HN 0.389 nan 8.370 nan 0.000 0.514 70 G N 0.256 109.027 108.800 -0.049 0.000 2.432 70 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 70 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 70 G C 1.448 176.332 174.900 -0.026 0.000 1.135 70 G CA 0.872 45.940 45.100 -0.053 0.000 0.767 70 G HN 0.409 nan 8.290 nan 0.000 0.550 71 G N -0.669 108.129 108.800 -0.003 0.000 3.228 71 G HA2 0.437 4.397 3.960 -0.000 0.000 0.245 71 G HA3 0.437 4.397 3.960 -0.000 0.000 0.245 71 G C 0.107 175.020 174.900 0.021 0.000 1.051 71 G CA -0.295 44.812 45.100 0.013 0.000 0.809 71 G HN 0.322 nan 8.290 nan 0.000 0.531 72 I N 1.569 122.156 120.570 0.028 0.000 2.468 72 I HA 0.472 4.641 4.170 -0.000 0.000 0.285 72 I C 0.211 176.330 176.117 0.005 0.000 1.039 72 I CA -1.102 60.207 61.300 0.015 0.000 1.074 72 I CB 2.072 40.083 38.000 0.018 0.000 1.228 72 I HN 0.010 nan 8.210 nan 0.000 0.436 73 A N 4.861 127.678 122.820 -0.004 0.000 2.498 73 A HA 0.679 4.999 4.320 -0.000 0.000 0.239 73 A C 0.256 177.832 177.584 -0.014 0.000 1.068 73 A CA 0.037 52.068 52.037 -0.009 0.000 0.766 73 A CB 0.332 19.327 19.000 -0.009 0.000 1.003 73 A HN 0.834 nan 8.150 nan 0.000 0.497 74 A N 1.760 124.569 122.820 -0.018 0.000 2.330 74 A HA 0.909 5.229 4.320 -0.000 0.000 0.329 74 A C 0.160 177.730 177.584 -0.023 0.000 1.135 74 A CA 0.108 52.129 52.037 -0.027 0.000 0.817 74 A CB 1.153 20.130 19.000 -0.038 0.000 1.269 74 A HN 1.894 nan 8.150 nan 0.000 0.469 75 T N -1.960 112.579 114.554 -0.025 0.000 2.956 75 T HA 0.513 4.863 4.350 -0.000 0.000 0.312 75 T C -0.776 173.913 174.700 -0.019 0.000 1.151 75 T CA -0.598 61.492 62.100 -0.018 0.000 1.024 75 T CB 0.790 69.650 68.868 -0.013 0.000 1.140 75 T HN 0.789 nan 8.240 nan 0.000 0.473 76 V N 4.813 124.720 119.914 -0.012 0.000 2.409 76 V HA 0.254 4.374 4.120 -0.000 0.000 0.270 76 V C -1.426 174.666 176.094 -0.005 0.000 1.019 76 V CA -0.925 61.370 62.300 -0.008 0.000 1.066 76 V CB -0.515 31.307 31.823 -0.001 0.000 1.021 76 V HN 0.805 nan 8.190 nan 0.000 0.476 77 P HA 0.136 nan 4.420 nan 0.000 0.271 77 P C -0.076 177.226 177.300 0.003 0.000 1.216 77 P CA -0.158 62.941 63.100 -0.003 0.000 0.771 77 P CB 0.605 32.302 31.700 -0.005 0.000 0.864 78 T N 4.456 119.013 114.554 0.004 0.000 2.814 78 T HA 0.263 4.613 4.350 -0.000 0.000 0.297 78 T C 0.465 175.170 174.700 0.008 0.000 0.956 78 T CA 0.012 62.117 62.100 0.007 0.000 1.123 78 T CB -0.049 68.823 68.868 0.006 0.000 0.902 78 T HN 0.208 nan 8.240 nan 0.000 0.528 79 I N 3.501 124.078 120.570 0.012 0.000 2.377 79 I HA 0.307 4.477 4.170 -0.000 0.000 0.293 79 I C 0.185 176.310 176.117 0.014 0.000 0.987 79 I CA -0.824 60.483 61.300 0.010 0.000 1.185 79 I CB 1.620 39.627 38.000 0.013 0.000 1.341 79 I HN 0.572 nan 8.210 nan 0.000 0.455 80 D N 5.722 126.127 120.400 0.008 0.000 2.458 80 D HA 0.165 4.805 4.640 -0.000 0.000 0.258 80 D C 1.111 177.415 176.300 0.007 0.000 1.134 80 D CA -0.468 53.539 54.000 0.011 0.000 0.915 80 D CB 0.846 41.650 40.800 0.008 0.000 1.028 80 D HN 0.329 nan 8.370 nan 0.000 0.508 81 R N 1.763 122.272 120.500 0.014 0.000 2.127 81 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 81 R C 1.703 178.005 176.300 0.004 0.000 1.134 81 R CA 1.738 57.842 56.100 0.007 0.000 0.975 81 R CB -0.588 29.732 30.300 0.034 0.000 0.865 81 R HN 0.280 nan 8.270 nan 0.000 0.447 82 S N -0.158 115.550 115.700 0.014 0.000 2.368 82 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 82 S C 1.610 176.210 174.600 -0.001 0.000 1.030 82 S CA 1.438 59.644 58.200 0.010 0.000 0.999 82 S CB -0.085 63.125 63.200 0.016 0.000 0.844 82 S HN 0.461 nan 8.310 nan 0.000 0.459 83 K N 0.480 120.880 120.400 -0.001 0.000 2.062 83 K HA 0.084 4.404 4.320 -0.000 0.000 0.205 83 K C 2.126 178.718 176.600 -0.013 0.000 1.051 83 K CA 1.118 57.402 56.287 -0.005 0.000 0.941 83 K CB -0.306 32.193 32.500 -0.003 0.000 0.719 83 K HN 0.359 nan 8.250 nan 0.000 0.440 84 L N 0.812 122.024 121.223 -0.018 0.000 2.046 84 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 84 L C 2.456 179.305 176.870 -0.036 0.000 1.077 84 L CA 0.655 55.478 54.840 -0.030 0.000 0.747 84 L CB -0.479 41.555 42.059 -0.040 0.000 0.896 84 L HN 0.184 nan 8.230 nan 0.000 0.432 85 L N 0.345 121.548 121.223 -0.035 0.000 2.012 85 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 85 L C 2.644 179.494 176.870 -0.032 0.000 1.073 85 L CA 2.097 56.913 54.840 -0.039 0.000 0.748 85 L CB -0.806 41.234 42.059 -0.031 0.000 0.891 85 L HN 0.152 nan 8.230 nan 0.000 0.431 86 A N -0.925 121.882 122.820 -0.022 0.000 1.908 86 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 86 A C 2.339 179.912 177.584 -0.018 0.000 1.181 86 A CA 1.935 53.961 52.037 -0.017 0.000 0.627 86 A CB -0.806 18.188 19.000 -0.010 0.000 0.818 86 A HN 0.706 nan 8.150 nan 0.000 0.445 87 Q N -0.646 119.143 119.800 -0.020 0.000 2.084 87 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 87 Q C 2.267 178.251 176.000 -0.026 0.000 0.978 87 Q CA 1.853 57.644 55.803 -0.019 0.000 0.844 87 Q CB -0.240 28.486 28.738 -0.019 0.000 0.898 87 Q HN 0.819 nan 8.270 nan 0.000 0.426 88 Q N -0.137 119.642 119.800 -0.035 0.000 2.050 88 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 88 Q C 2.149 178.123 176.000 -0.043 0.000 0.980 88 Q CA 1.817 57.593 55.803 -0.045 0.000 0.840 88 Q CB -0.054 28.650 28.738 -0.057 0.000 0.898 88 Q HN 0.331 nan 8.270 nan 0.000 0.424 89 Q N 0.230 120.005 119.800 -0.041 0.000 2.084 89 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 89 Q C 1.820 177.800 176.000 -0.033 0.000 0.978 89 Q CA 1.975 57.754 55.803 -0.041 0.000 0.844 89 Q CB -0.550 28.166 28.738 -0.036 0.000 0.898 89 Q HN 0.495 nan 8.270 nan 0.000 0.426 90 A N 0.155 122.964 122.820 -0.019 0.000 1.908 90 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 90 A C 2.116 179.696 177.584 -0.007 0.000 1.181 90 A CA 1.887 53.921 52.037 -0.005 0.000 0.627 90 A CB -0.567 18.434 19.000 0.001 0.000 0.818 90 A HN 0.322 nan 8.150 nan 0.000 0.445 91 R N -0.253 120.236 120.500 -0.017 0.000 2.075 91 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 91 R C 1.837 178.120 176.300 -0.028 0.000 1.126 91 R CA 1.883 57.972 56.100 -0.017 0.000 0.963 91 R CB -1.104 29.182 30.300 -0.023 0.000 0.858 91 R HN 0.238 nan 8.270 nan 0.000 0.435 92 V N 1.431 121.318 119.914 -0.044 0.000 2.255 92 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 92 V C 1.628 177.662 176.094 -0.100 0.000 1.051 92 V CA 2.343 64.606 62.300 -0.062 0.000 1.018 92 V CB -0.559 31.221 31.823 -0.071 0.000 0.641 92 V HN 0.373 nan 8.190 nan 0.000 0.445 93 D N -0.205 120.124 120.400 -0.117 0.000 2.116 93 D HA -0.198 4.442 4.640 -0.000 0.000 0.193 93 D C 2.173 178.299 176.300 -0.290 0.000 0.998 93 D CA 1.519 55.374 54.000 -0.242 0.000 0.836 93 D CB -0.263 40.481 40.800 -0.093 0.000 0.951 93 D HN 0.580 nan 8.370 nan 0.000 0.449 94 E N 0.193 120.371 120.200 -0.037 0.000 2.058 94 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 94 E C 2.386 179.009 176.600 0.039 0.000 0.997 94 E CA 0.508 56.950 56.400 0.070 0.000 0.801 94 E CB -0.133 29.602 29.700 0.058 0.000 0.746 94 E HN 0.232 nan 8.360 nan 0.000 0.450 95 L N 0.500 121.726 121.223 0.006 0.000 2.093 95 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 95 L C 2.712 179.641 176.870 0.099 0.000 1.085 95 L CA 0.928 55.797 54.840 0.048 0.000 0.755 95 L CB -0.231 41.859 42.059 0.052 0.000 0.904 95 L HN 0.068 nan 8.230 nan 0.000 0.435 96 R N -0.899 119.600 120.500 -0.001 0.000 2.073 96 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 96 R C 2.409 178.757 176.300 0.081 0.000 1.134 96 R CA 1.517 57.633 56.100 0.027 0.000 0.952 96 R CB -0.217 29.961 30.300 -0.202 0.000 0.850 96 R HN 0.426 nan 8.270 nan 0.000 0.433 97 H N -0.039 119.087 119.070 0.093 0.000 2.293 97 H HA -0.048 4.508 4.556 -0.000 0.000 0.300 97 H C 2.025 177.388 175.328 0.058 0.000 1.082 97 H CA 1.615 57.703 56.048 0.067 0.000 1.308 97 H CB -0.592 29.193 29.762 0.037 0.000 1.375 97 H HN 0.385 nan 8.280 nan 0.000 0.495 98 A N 1.473 124.396 122.820 0.172 0.000 1.858 98 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 98 A C 2.086 179.681 177.584 0.019 0.000 1.190 98 A CA 1.687 53.773 52.037 0.081 0.000 0.617 98 A CB -0.144 18.889 19.000 0.055 0.000 0.827 98 A HN 0.349 nan 8.150 nan 0.000 0.443 99 K N -2.730 117.660 120.400 -0.017 0.000 2.358 99 K HA 0.226 4.546 4.320 -0.000 0.000 0.197 99 K C 0.483 176.831 176.600 -0.420 0.000 1.025 99 K CA 0.214 56.377 56.287 -0.207 0.000 1.104 99 K CB 0.314 32.642 32.500 -0.287 0.000 0.855 99 K HN 0.609 nan 8.250 nan 0.000 0.531 100 Y N 0.690 121.001 120.300 0.019 0.000 3.059 100 Y HA 0.108 4.658 4.550 -0.000 0.000 0.212 100 Y C 2.061 177.981 175.900 0.033 0.000 0.947 100 Y CA -0.104 58.007 58.100 0.018 0.000 1.571 100 Y CB 0.097 38.561 38.460 0.006 0.000 1.432 100 Y HN -0.130 nan 8.280 nan 0.000 0.450 101 E N 0.389 120.732 120.200 0.238 0.000 2.038 101 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 101 E C 2.293 178.964 176.600 0.117 0.000 1.000 101 E CA 1.354 57.857 56.400 0.172 0.000 0.803 101 E CB -0.568 29.256 29.700 0.207 0.000 0.750 101 E HN 0.567 nan 8.360 nan 0.000 0.448 102 G N 0.987 109.853 108.800 0.110 0.000 2.462 102 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 102 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 102 G C 1.434 176.354 174.900 0.032 0.000 1.121 102 G CA 0.566 45.704 45.100 0.062 0.000 0.758 102 G HN 0.102 nan 8.290 nan 0.000 0.559 103 I N 0.206 120.789 120.570 0.022 0.000 2.584 103 I HA 0.110 4.280 4.170 -0.000 0.000 0.255 103 I C 2.660 178.783 176.117 0.010 0.000 1.145 103 I CA 0.430 61.727 61.300 -0.005 0.000 1.462 103 I CB -0.898 37.071 38.000 -0.052 0.000 1.102 103 I HN 0.157 nan 8.210 nan 0.000 0.433 104 L N 0.568 121.812 121.223 0.035 0.000 2.141 104 L HA -0.062 4.277 4.340 -0.000 0.000 0.209 104 L C 2.378 179.263 176.870 0.026 0.000 1.094 104 L CA 1.342 56.202 54.840 0.034 0.000 0.763 104 L CB -0.698 41.394 42.059 0.055 0.000 0.908 104 L HN 0.278 nan 8.230 nan 0.000 0.437 105 G N -1.218 107.603 108.800 0.034 0.000 2.777 105 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.211 105 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.211 105 G C 1.352 176.261 174.900 0.016 0.000 1.149 105 G CA 0.479 45.596 45.100 0.027 0.000 0.785 105 G HN 0.452 nan 8.290 nan 0.000 0.536 106 G N -0.068 108.739 108.800 0.011 0.000 3.088 106 G HA2 0.109 4.069 3.960 -0.000 0.000 0.212 106 G HA3 0.109 4.069 3.960 -0.000 0.000 0.212 106 G C 0.366 175.266 174.900 -0.000 0.000 1.173 106 G CA -0.346 44.756 45.100 0.004 0.000 0.779 106 G HN 0.283 nan 8.290 nan 0.000 0.540 107 N N 0.250 118.951 118.700 0.001 0.000 2.690 107 N HA 0.182 4.922 4.740 -0.000 0.000 0.255 107 N C -2.391 173.119 175.510 -0.001 0.000 1.195 107 N CA -0.890 52.159 53.050 -0.002 0.000 0.790 107 N CB 2.428 40.912 38.487 -0.005 0.000 1.216 107 N HN -0.147 nan 8.380 nan 0.000 0.528 108 P HA -0.137 nan 4.420 nan 0.000 0.220 108 P C 1.244 178.543 177.300 -0.001 0.000 1.144 108 P CA 0.919 64.020 63.100 0.000 0.000 0.800 108 P CB 0.420 32.121 31.700 0.001 0.000 0.772 109 A N -1.091 121.728 122.820 -0.003 0.000 2.125 109 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 109 A C 1.161 178.742 177.584 -0.006 0.000 1.156 109 A CA 0.800 52.835 52.037 -0.004 0.000 0.671 109 A CB -1.041 17.956 19.000 -0.005 0.000 0.794 109 A HN 0.179 nan 8.150 nan 0.000 0.459 110 I N 1.079 121.645 120.570 -0.007 0.000 2.312 110 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 110 I C -0.505 175.603 176.117 -0.014 0.000 1.008 110 I CA -0.188 61.106 61.300 -0.011 0.000 1.226 110 I CB 1.616 39.610 38.000 -0.010 0.000 1.371 110 I HN -0.098 nan 8.210 nan 0.000 0.468 111 T N 6.120 120.662 114.554 -0.020 0.000 2.744 111 T HA 0.346 4.696 4.350 -0.000 0.000 0.291 111 T C 0.001 174.669 174.700 -0.052 0.000 0.957 111 T CA -0.402 61.683 62.100 -0.026 0.000 1.002 111 T CB 1.316 70.172 68.868 -0.019 0.000 0.919 111 T HN 0.160 nan 8.240 nan 0.000 0.468 112 V N 4.741 124.610 119.914 -0.075 0.000 2.383 112 V HA 0.385 4.504 4.120 -0.000 0.000 0.275 112 V C -0.001 175.958 176.094 -0.226 0.000 1.036 112 V CA -0.666 61.540 62.300 -0.158 0.000 0.889 112 V CB 1.466 33.179 31.823 -0.182 0.000 0.985 112 V HN 0.662 nan 8.190 nan 0.000 0.459 113 V N 4.987 124.757 119.914 -0.239 0.000 2.409 113 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 113 V C -0.217 175.727 176.094 -0.249 0.000 1.020 113 V CA -0.734 61.452 62.300 -0.191 0.000 0.848 113 V CB 1.328 33.098 31.823 -0.087 0.000 0.990 113 V HN 0.798 nan 8.190 nan 0.000 0.430 114 H N 4.250 123.317 119.070 -0.005 0.000 2.969 114 H HA 0.652 5.208 4.556 -0.000 0.000 0.269 114 H C 0.515 175.837 175.328 -0.010 0.000 1.223 114 H CA 0.497 56.540 56.048 -0.008 0.000 1.400 114 H CB 1.258 31.017 29.762 -0.004 0.000 1.500 114 H HN 0.909 nan 8.280 nan 0.000 0.486 115 G N 1.865 110.702 108.800 0.063 0.000 2.451 115 G HA2 0.126 4.086 3.960 -0.000 0.000 0.292 115 G HA3 0.126 4.086 3.960 -0.000 0.000 0.292 115 G C -1.452 173.452 174.900 0.007 0.000 1.427 115 G CA -0.910 44.210 45.100 0.034 0.000 0.792 115 G HN 0.401 nan 8.290 nan 0.000 0.498 116 E N -0.100 120.101 120.200 0.001 0.000 2.146 116 E HA 0.620 4.970 4.350 -0.000 0.000 0.282 116 E C 0.272 176.856 176.600 -0.025 0.000 0.989 116 E CA -0.541 55.853 56.400 -0.010 0.000 0.799 116 E CB 1.192 30.892 29.700 -0.001 0.000 1.088 116 E HN 0.790 nan 8.360 nan 0.000 0.397 117 A N 4.870 127.660 122.820 -0.049 0.000 2.295 117 A HA 0.735 5.055 4.320 -0.000 0.000 0.318 117 A C -0.568 176.960 177.584 -0.092 0.000 1.134 117 A CA -0.670 51.315 52.037 -0.088 0.000 0.827 117 A CB 0.723 19.639 19.000 -0.141 0.000 1.136 117 A HN 0.826 nan 8.150 nan 0.000 0.493 118 R N 0.330 120.764 120.500 -0.111 0.000 2.629 118 R HA 0.541 4.881 4.340 -0.000 0.000 0.266 118 R C -1.957 174.299 176.300 -0.074 0.000 1.051 118 R CA -0.721 55.350 56.100 -0.048 0.000 0.895 118 R CB 0.590 30.912 30.300 0.036 0.000 1.246 118 R HN 0.348 nan 8.270 nan 0.000 0.459 119 F N 2.295 122.287 119.950 0.071 0.000 2.543 119 F HA 0.170 4.697 4.527 -0.000 0.000 0.375 119 F C 1.843 177.688 175.800 0.075 0.000 1.075 119 F CA 0.117 58.180 58.000 0.105 0.000 1.225 119 F CB 1.233 40.301 39.000 0.114 0.000 1.099 119 F HN 0.728 nan 8.300 nan 0.000 0.561 120 K N 0.841 121.365 120.400 0.207 0.000 2.166 120 K HA -0.007 4.313 4.320 -0.000 0.000 0.201 120 K C -0.358 176.319 176.600 0.127 0.000 1.052 120 K CA 1.263 57.623 56.287 0.122 0.000 0.969 120 K CB 0.238 32.776 32.500 0.065 0.000 0.761 120 K HN 0.864 nan 8.250 nan 0.000 0.459 121 D N -1.633 118.868 120.400 0.168 0.000 2.970 121 D HA -0.066 4.574 4.640 -0.000 0.000 0.344 121 D C -0.341 176.061 176.300 0.171 0.000 1.365 121 D CA -0.367 53.706 54.000 0.120 0.000 0.910 121 D CB -0.194 40.632 40.800 0.043 0.000 1.445 121 D HN 0.000 nan 8.370 nan 0.000 0.532 122 D N -1.057 119.395 120.400 0.087 0.000 2.378 122 D HA -0.113 4.527 4.640 -0.000 0.000 0.227 122 D C 0.761 177.094 176.300 0.054 0.000 1.012 122 D CA 0.844 54.908 54.000 0.106 0.000 0.905 122 D CB -0.192 40.634 40.800 0.044 0.000 0.895 122 D HN 0.650 nan 8.370 nan 0.000 0.532 123 Q N -0.739 118.964 119.800 -0.161 0.000 2.103 123 Q HA 0.196 4.536 4.340 -0.000 0.000 0.219 123 Q C -0.256 175.113 176.000 -1.052 0.000 0.784 123 Q CA -0.464 54.971 55.803 -0.614 0.000 1.014 123 Q CB 0.637 29.189 28.738 -0.311 0.000 1.183 123 Q HN 0.144 nan 8.270 nan 0.000 0.469 124 S N -0.192 115.169 115.700 -0.566 0.000 2.615 124 S HA 0.726 5.196 4.470 -0.000 0.000 0.269 124 S C -1.100 173.585 174.600 0.142 0.000 1.161 124 S CA -0.905 57.135 58.200 -0.266 0.000 0.817 124 S CB 1.361 64.472 63.200 -0.149 0.000 1.131 124 S HN 0.211 nan 8.310 nan 0.000 0.467 125 L N 0.812 122.108 121.223 0.121 0.000 2.354 125 L HA 0.692 5.032 4.340 -0.000 0.000 0.269 125 L C -0.499 176.369 176.870 -0.003 0.000 1.005 125 L CA -0.656 54.192 54.840 0.013 0.000 0.819 125 L CB 2.509 44.518 42.059 -0.083 0.000 1.311 125 L HN 0.757 nan 8.230 nan 0.000 0.423 126 T N 1.757 116.300 114.554 -0.018 0.000 2.771 126 T HA 0.513 4.863 4.350 -0.000 0.000 0.281 126 T C -0.454 174.233 174.700 -0.023 0.000 0.982 126 T CA -0.346 61.749 62.100 -0.007 0.000 0.978 126 T CB 1.507 70.381 68.868 0.010 0.000 0.930 126 T HN 0.183 nan 8.240 nan 0.000 0.447 127 V N 4.364 124.267 119.914 -0.017 0.000 2.409 127 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 127 V C 0.306 176.396 176.094 -0.006 0.000 1.020 127 V CA -1.042 61.246 62.300 -0.020 0.000 0.848 127 V CB 1.472 33.281 31.823 -0.024 0.000 0.990 127 V HN 0.725 nan 8.190 nan 0.000 0.430 128 R N 5.280 125.779 120.500 -0.003 0.000 2.248 128 R HA 0.440 4.780 4.340 -0.000 0.000 0.337 128 R C -0.488 175.818 176.300 0.010 0.000 1.106 128 R CA -0.464 55.639 56.100 0.005 0.000 0.959 128 R CB 0.125 30.428 30.300 0.006 0.000 1.075 128 R HN 0.713 nan 8.270 nan 0.000 0.480 129 L N 4.421 125.652 121.223 0.013 0.000 2.514 129 L HA -0.053 4.287 4.340 -0.000 0.000 0.280 129 L C 1.385 178.270 176.870 0.025 0.000 1.223 129 L CA 0.301 55.155 54.840 0.024 0.000 0.864 129 L CB 0.405 42.478 42.059 0.023 0.000 1.118 129 L HN 0.795 nan 8.230 nan 0.000 0.494 130 N N 1.282 120.005 118.700 0.038 0.000 2.120 130 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 130 N C 1.098 176.617 175.510 0.014 0.000 1.024 130 N CA 1.205 54.271 53.050 0.026 0.000 0.852 130 N CB 0.052 38.558 38.487 0.031 0.000 1.003 130 N HN 0.643 nan 8.380 nan 0.000 0.424 131 E N 0.373 120.584 120.200 0.018 0.000 2.409 131 E HA 0.048 4.398 4.350 -0.000 0.000 0.198 131 E C 0.658 177.264 176.600 0.009 0.000 1.024 131 E CA 0.207 56.613 56.400 0.010 0.000 0.861 131 E CB 0.104 29.812 29.700 0.013 0.000 0.788 131 E HN 0.389 nan 8.360 nan 0.000 0.521 132 G N -0.343 108.464 108.800 0.011 0.000 2.525 132 G HA2 0.279 4.239 3.960 -0.000 0.000 0.685 132 G HA3 0.279 4.239 3.960 -0.000 0.000 0.685 132 G C 0.024 174.930 174.900 0.010 0.000 1.285 132 G CA -0.612 44.493 45.100 0.009 0.000 0.849 132 G HN 0.573 nan 8.290 nan 0.000 0.653 133 G N 0.069 108.874 108.800 0.008 0.000 2.728 133 G HA2 0.435 4.395 3.960 -0.000 0.000 0.294 133 G HA3 0.435 4.395 3.960 -0.000 0.000 0.294 133 G C -0.600 174.305 174.900 0.008 0.000 1.342 133 G CA 0.367 45.472 45.100 0.008 0.000 0.866 133 G HN 1.499 nan 8.290 nan 0.000 0.534 134 E N -0.323 119.881 120.200 0.007 0.000 2.369 134 E HA 0.743 5.093 4.350 -0.000 0.000 0.270 134 E C 0.061 176.664 176.600 0.004 0.000 0.909 134 E CA -0.909 55.494 56.400 0.005 0.000 0.775 134 E CB 2.599 32.302 29.700 0.005 0.000 1.270 134 E HN 0.810 nan 8.360 nan 0.000 0.445 135 R N 0.584 121.085 120.500 0.002 0.000 2.584 135 R HA 0.476 4.816 4.340 -0.000 0.000 0.276 135 R C -1.648 174.652 176.300 -0.001 0.000 1.046 135 R CA -0.531 55.570 56.100 0.001 0.000 0.906 135 R CB 1.579 31.879 30.300 0.001 0.000 1.215 135 R HN 0.291 nan 8.270 nan 0.000 0.449 136 V N 4.279 124.193 119.914 -0.001 0.000 2.427 136 V HA 0.393 4.513 4.120 -0.000 0.000 0.286 136 V C -0.342 175.755 176.094 0.004 0.000 1.034 136 V CA -0.679 61.620 62.300 -0.000 0.000 0.893 136 V CB 1.682 33.502 31.823 -0.004 0.000 0.982 136 V HN 0.496 nan 8.190 nan 0.000 0.452 137 V N 6.050 125.974 119.914 0.017 0.000 2.357 137 V HA 0.414 4.534 4.120 -0.000 0.000 0.284 137 V C 0.204 176.337 176.094 0.064 0.000 1.018 137 V CA -0.561 61.764 62.300 0.042 0.000 0.841 137 V CB 1.451 33.305 31.823 0.053 0.000 0.991 137 V HN 0.727 nan 8.190 nan 0.000 0.437 138 M N 5.902 125.515 119.600 0.021 0.000 2.255 138 M HA 0.572 5.052 4.480 -0.000 0.000 0.336 138 M C -0.507 175.830 176.300 0.062 0.000 1.135 138 M CA 0.034 55.301 55.300 -0.055 0.000 1.145 138 M CB 0.915 33.479 32.600 -0.059 0.000 1.473 138 M HN 0.689 nan 8.290 nan 0.000 0.462 139 F N -0.853 119.113 119.950 0.027 0.000 2.654 139 F HA 0.474 5.001 4.527 -0.000 0.000 0.308 139 F C -0.188 175.641 175.800 0.049 0.000 1.108 139 F CA -1.097 56.923 58.000 0.034 0.000 0.957 139 F CB 0.759 39.784 39.000 0.042 0.000 1.309 139 F HN 0.498 nan 8.300 nan 0.000 0.446 140 D N 0.303 120.913 120.400 0.351 0.000 2.324 140 D HA 0.127 4.767 4.640 -0.000 0.000 0.212 140 D C 0.260 176.789 176.300 0.381 0.000 0.984 140 D CA 0.926 55.079 54.000 0.254 0.000 0.885 140 D CB 0.372 41.257 40.800 0.142 0.000 0.996 140 D HN 0.239 nan 8.370 nan 0.000 0.505 141 R N -0.222 120.497 120.500 0.365 0.000 2.725 141 R HA 0.454 4.794 4.340 -0.000 0.000 0.277 141 R C -1.182 175.093 176.300 -0.042 0.000 0.987 141 R CA -0.604 55.626 56.100 0.216 0.000 0.901 141 R CB 1.845 32.206 30.300 0.102 0.000 1.207 141 R HN 0.027 nan 8.270 nan 0.000 0.463 142 C N 3.113 122.289 119.300 -0.208 0.000 2.609 142 C HA 0.664 5.124 4.460 -0.000 0.000 0.313 142 C C -1.231 173.702 174.990 -0.097 0.000 1.175 142 C CA -0.787 57.984 59.018 -0.412 0.000 1.434 142 C CB 1.040 28.143 27.740 -1.062 0.000 2.005 142 C HN 0.771 nan 8.230 nan 0.000 0.471 143 L N 6.693 127.864 121.223 -0.086 0.000 2.305 143 L HA 0.755 5.095 4.340 -0.000 0.000 0.284 143 L C -0.748 176.129 176.870 0.010 0.000 1.013 143 L CA -0.022 54.820 54.840 0.004 0.000 0.819 143 L CB 1.684 43.722 42.059 -0.034 0.000 1.227 143 L HN 0.556 nan 8.230 nan 0.000 0.417 144 V N 5.398 125.354 119.914 0.069 0.000 2.364 144 V HA 0.694 4.814 4.120 -0.000 0.000 0.272 144 V C 0.620 176.740 176.094 0.043 0.000 1.036 144 V CA 0.167 62.510 62.300 0.071 0.000 0.880 144 V CB 0.855 32.759 31.823 0.135 0.000 0.991 144 V HN 0.937 nan 8.190 nan 0.000 0.460 145 A N 2.839 125.671 122.820 0.020 0.000 3.308 145 A HA 0.401 4.721 4.320 -0.000 0.000 0.275 145 A C 1.076 178.662 177.584 0.004 0.000 0.950 145 A CA 0.244 52.288 52.037 0.013 0.000 0.987 145 A CB 0.205 19.211 19.000 0.009 0.000 1.146 145 A HN 0.822 nan 8.150 nan 0.000 0.488 146 T N -2.632 111.927 114.554 0.009 0.000 3.160 146 T HA 0.412 4.762 4.350 -0.000 0.000 0.257 146 T C 1.341 176.038 174.700 -0.004 0.000 1.147 146 T CA 1.006 63.108 62.100 0.003 0.000 1.064 146 T CB -0.386 68.491 68.868 0.015 0.000 0.949 146 T HN 2.072 nan 8.240 nan 0.000 0.526 147 G N 1.322 110.117 108.800 -0.007 0.000 2.641 147 G HA2 0.217 4.177 3.960 -0.000 0.000 0.254 147 G HA3 0.217 4.177 3.960 -0.000 0.000 0.254 147 G C -0.080 174.810 174.900 -0.017 0.000 1.315 147 G CA -0.253 44.837 45.100 -0.017 0.000 0.907 147 G HN 1.368 nan 8.290 nan 0.000 0.572 148 A N -1.706 121.100 122.820 -0.023 0.000 2.483 148 A HA 0.987 5.307 4.320 -0.000 0.000 0.286 148 A C -0.005 177.570 177.584 -0.016 0.000 1.207 148 A CA 0.690 52.715 52.037 -0.020 0.000 0.764 148 A CB 1.615 20.597 19.000 -0.031 0.000 1.341 148 A HN 1.956 nan 8.150 nan 0.000 0.428 149 S N 0.191 115.886 115.700 -0.009 0.000 2.595 149 S HA 0.699 5.169 4.470 -0.000 0.000 0.281 149 S C -2.951 171.652 174.600 0.005 0.000 1.117 149 S CA -0.995 57.205 58.200 -0.001 0.000 0.873 149 S CB 1.789 64.993 63.200 0.007 0.000 1.108 149 S HN 0.487 nan 8.310 nan 0.000 0.477 150 P HA 0.202 nan 4.420 nan 0.000 0.264 150 P C -1.079 176.239 177.300 0.030 0.000 1.193 150 P CA 0.064 63.181 63.100 0.028 0.000 0.763 150 P CB 0.217 31.950 31.700 0.055 0.000 0.810 151 A N 3.501 126.328 122.820 0.012 0.000 2.371 151 A HA 0.426 4.746 4.320 -0.000 0.000 0.257 151 A C -0.343 177.236 177.584 -0.008 0.000 1.089 151 A CA -0.185 51.852 52.037 0.000 0.000 0.794 151 A CB 0.329 19.320 19.000 -0.014 0.000 1.029 151 A HN 0.378 nan 8.150 nan 0.000 0.488 152 V N 4.894 124.796 119.914 -0.021 0.000 2.380 152 V HA 0.336 4.456 4.120 -0.000 0.000 0.286 152 V C -2.017 174.027 176.094 -0.084 0.000 1.015 152 V CA -1.118 61.138 62.300 -0.072 0.000 0.834 152 V CB 1.263 33.062 31.823 -0.040 0.000 1.009 152 V HN 0.953 nan 8.190 nan 0.000 0.428 153 P HA 0.229 nan 4.420 nan 0.000 0.269 153 P C -2.412 174.837 177.300 -0.086 0.000 1.209 153 P CA -1.254 61.794 63.100 -0.087 0.000 0.776 153 P CB 0.479 32.122 31.700 -0.095 0.000 0.876 154 P HA 0.219 nan 4.420 nan 0.000 0.228 154 P C -0.053 177.222 177.300 -0.043 0.000 1.748 154 P CA -0.012 63.063 63.100 -0.043 0.000 0.909 154 P CB -0.385 31.299 31.700 -0.026 0.000 1.882 155 I N 2.051 122.585 120.570 -0.061 0.000 2.396 155 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 155 I C -1.906 174.192 176.117 -0.032 0.000 1.056 155 I CA -2.588 58.682 61.300 -0.049 0.000 1.365 155 I CB 0.443 38.403 38.000 -0.067 0.000 1.407 155 I HN -0.140 nan 8.210 nan 0.000 0.509 156 P HA -0.010 nan 4.420 nan 0.000 0.261 156 P C 0.859 178.164 177.300 0.009 0.000 1.183 156 P CA 0.892 63.991 63.100 -0.002 0.000 0.761 156 P CB 0.528 32.228 31.700 0.001 0.000 0.785 157 G N 2.534 111.346 108.800 0.020 0.000 2.241 157 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 157 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 157 G C 0.727 175.664 174.900 0.062 0.000 0.998 157 G CA 0.296 45.421 45.100 0.042 0.000 0.621 157 G HN 0.553 nan 8.290 nan 0.000 0.519 158 L N 1.422 122.659 121.223 0.023 0.000 2.056 158 L HA 0.280 4.620 4.340 -0.000 0.000 0.207 158 L C 2.565 179.472 176.870 0.063 0.000 1.078 158 L CA 3.139 57.975 54.840 -0.006 0.000 0.749 158 L CB -0.545 41.416 42.059 -0.164 0.000 0.901 158 L HN 0.383 nan 8.230 nan 0.000 0.433 159 K N -0.299 120.135 120.400 0.056 0.000 2.103 159 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 159 K C 1.363 178.073 176.600 0.184 0.000 1.048 159 K CA 1.674 58.046 56.287 0.142 0.000 0.930 159 K CB -0.068 32.478 32.500 0.077 0.000 0.716 159 K HN 0.559 nan 8.250 nan 0.000 0.444 160 E N 0.668 120.946 120.200 0.129 0.000 2.465 160 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 160 E C 0.183 176.841 176.600 0.097 0.000 1.053 160 E CA -0.058 56.401 56.400 0.098 0.000 0.869 160 E CB 0.271 30.007 29.700 0.060 0.000 0.977 160 E HN 0.206 nan 8.360 nan 0.000 0.483 161 S N 1.562 117.367 115.700 0.176 0.000 2.651 161 S HA 0.464 4.934 4.470 -0.000 0.000 0.291 161 S C -2.248 172.441 174.600 0.148 0.000 1.141 161 S CA -1.495 56.785 58.200 0.135 0.000 1.027 161 S CB 1.782 65.160 63.200 0.298 0.000 1.043 161 S HN -0.128 nan 8.310 nan 0.000 0.530 162 P HA 0.180 nan 4.420 nan 0.000 0.220 162 P C -0.575 176.804 177.300 0.130 0.000 1.778 162 P CA -0.394 62.665 63.100 -0.068 0.000 0.912 162 P CB -1.163 30.409 31.700 -0.214 0.000 1.861 163 Y N -1.298 119.127 120.300 0.209 0.000 2.335 163 Y HA 0.427 4.977 4.550 -0.000 0.000 0.348 163 Y C -0.056 175.938 175.900 0.157 0.000 1.280 163 Y CA -0.910 57.214 58.100 0.040 0.000 1.504 163 Y CB 0.134 38.568 38.460 -0.044 0.000 1.366 163 Y HN -0.019 nan 8.280 nan 0.000 0.621 164 W N 1.198 122.501 121.300 0.004 0.000 2.570 164 W HA 0.513 5.173 4.660 -0.000 0.000 0.337 164 W C -0.284 176.287 176.519 0.087 0.000 1.067 164 W CA -1.065 56.252 57.345 -0.047 0.000 1.229 164 W CB 1.665 31.075 29.460 -0.083 0.000 1.355 164 W HN 0.810 nan 8.180 nan 0.000 0.555 165 T N -2.241 112.451 114.554 0.230 0.000 2.919 165 T HA 0.318 4.668 4.350 -0.000 0.000 0.282 165 T C 1.221 175.964 174.700 0.073 0.000 1.020 165 T CA -0.006 62.196 62.100 0.170 0.000 0.994 165 T CB 1.255 70.196 68.868 0.122 0.000 1.180 165 T HN 0.333 nan 8.240 nan 0.000 0.566 166 S N 0.119 115.849 115.700 0.050 0.000 2.402 166 S HA -0.171 4.299 4.470 -0.000 0.000 0.233 166 S C 1.877 176.448 174.600 -0.049 0.000 1.030 166 S CA 1.796 60.008 58.200 0.020 0.000 1.003 166 S CB -1.660 61.559 63.200 0.032 0.000 0.813 166 S HN 0.807 nan 8.310 nan 0.000 0.477 167 T N 2.259 116.777 114.554 -0.060 0.000 2.708 167 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 167 T C 1.731 176.317 174.700 -0.190 0.000 1.037 167 T CA 1.818 63.858 62.100 -0.099 0.000 1.146 167 T CB -0.460 68.364 68.868 -0.074 0.000 0.865 167 T HN 0.503 nan 8.240 nan 0.000 0.435 168 E N 1.232 121.275 120.200 -0.261 0.000 2.150 168 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 168 E C 2.327 178.361 176.600 -0.943 0.000 0.985 168 E CA 0.939 57.037 56.400 -0.503 0.000 0.814 168 E CB -0.500 28.912 29.700 -0.480 0.000 0.752 168 E HN 0.488 nan 8.360 nan 0.000 0.466 169 A N 0.511 122.825 122.820 -0.843 0.000 1.898 169 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 169 A C 2.149 179.568 177.584 -0.275 0.000 1.181 169 A CA 1.048 52.569 52.037 -0.860 0.000 0.620 169 A CB -0.633 18.247 19.000 -0.199 0.000 0.819 169 A HN 0.213 nan 8.150 nan 0.000 0.442 170 L N -1.024 120.100 121.223 -0.165 0.000 2.201 170 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 170 L C 2.623 179.410 176.870 -0.138 0.000 1.105 170 L CA 0.921 55.701 54.840 -0.101 0.000 0.775 170 L CB -0.268 41.744 42.059 -0.078 0.000 0.913 170 L HN 0.431 nan 8.230 nan 0.000 0.440 171 A N -1.357 121.345 122.820 -0.197 0.000 2.275 171 A HA 0.062 4.381 4.320 -0.000 0.000 0.212 171 A C 1.165 178.655 177.584 -0.156 0.000 1.201 171 A CA -0.035 51.907 52.037 -0.158 0.000 0.843 171 A CB -0.106 18.805 19.000 -0.148 0.000 0.873 171 A HN 0.220 nan 8.150 nan 0.000 0.492 172 S N 1.164 116.734 115.700 -0.217 0.000 2.533 172 S HA 0.123 4.593 4.470 -0.000 0.000 0.282 172 S C 0.898 175.506 174.600 0.013 0.000 1.304 172 S CA 0.205 58.337 58.200 -0.113 0.000 1.063 172 S CB 0.364 63.475 63.200 -0.147 0.000 0.881 172 S HN 0.549 nan 8.310 nan 0.000 0.493 173 D N 2.658 123.092 120.400 0.057 0.000 2.339 173 D HA 0.048 4.688 4.640 -0.000 0.000 0.217 173 D C 0.503 176.857 176.300 0.090 0.000 1.050 173 D CA 0.078 54.110 54.000 0.053 0.000 0.856 173 D CB -0.158 40.666 40.800 0.039 0.000 0.922 173 D HN 0.530 nan 8.370 nan 0.000 0.518 174 T N -2.112 112.536 114.554 0.158 0.000 2.896 174 T HA 0.545 4.895 4.350 -0.000 0.000 0.297 174 T C -0.382 174.481 174.700 0.272 0.000 1.108 174 T CA -1.031 61.175 62.100 0.177 0.000 1.004 174 T CB 1.881 70.849 68.868 0.167 0.000 1.159 174 T HN -0.092 nan 8.240 nan 0.000 0.499 175 I N 3.495 124.201 120.570 0.227 0.000 2.297 175 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 175 I C -1.889 174.372 176.117 0.241 0.000 1.033 175 I CA -2.682 58.794 61.300 0.293 0.000 1.253 175 I CB 0.729 38.841 38.000 0.188 0.000 1.396 175 I HN 0.576 nan 8.210 nan 0.000 0.476 176 P HA 0.150 nan 4.420 nan 0.000 0.268 176 P C 0.441 177.792 177.300 0.084 0.000 1.205 176 P CA -0.131 63.034 63.100 0.108 0.000 0.771 176 P CB 1.305 32.989 31.700 -0.028 0.000 0.858 177 E N 1.896 122.127 120.200 0.052 0.000 2.077 177 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 177 E C 0.286 176.902 176.600 0.027 0.000 0.989 177 E CA 1.096 57.521 56.400 0.042 0.000 0.800 177 E CB 0.036 29.754 29.700 0.030 0.000 0.746 177 E HN 0.481 nan 8.360 nan 0.000 0.452 178 R N 0.357 120.858 120.500 0.003 0.000 2.575 178 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 178 R C -1.385 174.873 176.300 -0.069 0.000 0.983 178 R CA -0.646 55.443 56.100 -0.018 0.000 0.887 178 R CB 1.988 32.280 30.300 -0.012 0.000 1.184 178 R HN -0.077 nan 8.270 nan 0.000 0.445 179 L N 2.014 123.185 121.223 -0.087 0.000 2.376 179 L HA 0.719 5.059 4.340 -0.000 0.000 0.275 179 L C -1.076 175.705 176.870 -0.149 0.000 0.987 179 L CA -0.297 54.438 54.840 -0.175 0.000 0.828 179 L CB 1.894 43.832 42.059 -0.202 0.000 1.249 179 L HN 0.806 nan 8.230 nan 0.000 0.409 180 A N 4.746 127.448 122.820 -0.197 0.000 2.301 180 A HA 0.800 5.120 4.320 -0.000 0.000 0.312 180 A C -1.070 176.412 177.584 -0.170 0.000 1.182 180 A CA -0.492 51.450 52.037 -0.158 0.000 0.826 180 A CB 1.188 20.089 19.000 -0.164 0.000 1.134 180 A HN 0.568 nan 8.150 nan 0.000 0.501 181 V N 3.861 123.709 119.914 -0.109 0.000 2.483 181 V HA 0.332 4.452 4.120 -0.000 0.000 0.297 181 V C -0.468 175.580 176.094 -0.077 0.000 1.027 181 V CA -0.135 62.114 62.300 -0.084 0.000 0.855 181 V CB 1.442 33.247 31.823 -0.031 0.000 0.995 181 V HN 0.756 nan 8.190 nan 0.000 0.424 182 I N 4.695 125.212 120.570 -0.088 0.000 2.307 182 I HA 0.794 4.964 4.170 -0.000 0.000 0.289 182 I C 0.705 176.778 176.117 -0.074 0.000 1.021 182 I CA 0.162 61.410 61.300 -0.088 0.000 1.224 182 I CB 1.271 39.206 38.000 -0.108 0.000 1.376 182 I HN 0.870 nan 8.210 nan 0.000 0.470 183 G N 3.618 112.372 108.800 -0.076 0.000 2.333 183 G HA2 0.146 4.106 3.960 -0.000 0.000 0.330 183 G HA3 0.146 4.106 3.960 -0.000 0.000 0.330 183 G C -0.459 174.383 174.900 -0.096 0.000 1.465 183 G CA -0.206 44.847 45.100 -0.079 0.000 0.996 183 G HN 0.579 nan 8.290 nan 0.000 0.655 184 S N -1.647 113.973 115.700 -0.133 0.000 3.093 184 S HA 0.555 5.025 4.470 -0.000 0.000 0.251 184 S C 0.627 175.030 174.600 -0.329 0.000 0.905 184 S CA 0.735 58.808 58.200 -0.212 0.000 1.124 184 S CB -0.138 62.937 63.200 -0.208 0.000 1.124 184 S HN 2.018 nan 8.310 nan 0.000 0.574 185 S N 0.422 115.990 115.700 -0.221 0.000 2.713 185 S HA 0.604 5.074 4.470 -0.000 0.000 0.277 185 S C 1.388 175.884 174.600 -0.173 0.000 1.168 185 S CA -0.337 57.745 58.200 -0.198 0.000 0.994 185 S CB 0.495 63.648 63.200 -0.078 0.000 1.054 185 S HN 0.059 nan 8.310 nan 0.000 0.555 186 V N 0.803 120.706 119.914 -0.018 0.000 2.252 186 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 186 V C 2.555 178.730 176.094 0.135 0.000 1.056 186 V CA 2.116 64.508 62.300 0.154 0.000 1.022 186 V CB -1.089 30.877 31.823 0.239 0.000 0.641 186 V HN 0.753 nan 8.190 nan 0.000 0.445 187 V N 0.092 120.059 119.914 0.089 0.000 2.295 187 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 187 V C 2.710 178.862 176.094 0.098 0.000 1.049 187 V CA 2.085 64.442 62.300 0.095 0.000 1.024 187 V CB -1.202 30.656 31.823 0.059 0.000 0.648 187 V HN 0.572 nan 8.190 nan 0.000 0.447 188 A N -0.118 122.734 122.820 0.054 0.000 1.883 188 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 188 A C 2.205 179.857 177.584 0.114 0.000 1.186 188 A CA 2.113 54.184 52.037 0.056 0.000 0.624 188 A CB -0.602 18.395 19.000 -0.005 0.000 0.822 188 A HN 0.515 nan 8.150 nan 0.000 0.444 189 L N -1.119 120.174 121.223 0.117 0.000 2.109 189 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 189 L C 2.595 179.675 176.870 0.350 0.000 1.086 189 L CA 1.406 56.413 54.840 0.279 0.000 0.760 189 L CB -0.672 41.486 42.059 0.165 0.000 0.910 189 L HN 0.462 nan 8.230 nan 0.000 0.437 190 E N 0.406 120.770 120.200 0.274 0.000 2.085 190 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 190 E C 2.327 179.050 176.600 0.205 0.000 0.994 190 E CA 1.183 57.739 56.400 0.259 0.000 0.801 190 E CB -0.085 29.763 29.700 0.248 0.000 0.743 190 E HN 0.465 nan 8.360 nan 0.000 0.453 191 L N 0.200 121.548 121.223 0.208 0.000 2.109 191 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 191 L C 2.590 179.647 176.870 0.312 0.000 1.086 191 L CA 0.609 55.611 54.840 0.269 0.000 0.760 191 L CB -0.480 41.756 42.059 0.296 0.000 0.910 191 L HN 0.124 nan 8.230 nan 0.000 0.437 192 A N 0.012 122.955 122.820 0.206 0.000 1.883 192 A HA -0.308 4.012 4.320 -0.000 0.000 0.217 192 A C 2.279 179.861 177.584 -0.003 0.000 1.186 192 A CA 2.102 54.213 52.037 0.123 0.000 0.624 192 A CB -0.615 18.463 19.000 0.129 0.000 0.822 192 A HN 0.474 nan 8.150 nan 0.000 0.444 193 Q N -0.882 118.841 119.800 -0.128 0.000 2.119 193 Q HA -0.034 4.306 4.340 -0.000 0.000 0.201 193 Q C 2.173 178.116 176.000 -0.096 0.000 0.972 193 Q CA 1.267 56.888 55.803 -0.304 0.000 0.847 193 Q CB -0.318 28.198 28.738 -0.371 0.000 0.903 193 Q HN 0.617 nan 8.270 nan 0.000 0.433 194 A N 0.126 122.949 122.820 0.005 0.000 1.877 194 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 194 A C 1.738 179.275 177.584 -0.079 0.000 1.186 194 A CA 1.288 53.300 52.037 -0.043 0.000 0.620 194 A CB -0.970 17.988 19.000 -0.069 0.000 0.822 194 A HN 0.483 nan 8.150 nan 0.000 0.443 195 F N 0.158 120.112 119.950 0.006 0.000 2.134 195 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 195 F C 2.809 178.611 175.800 0.003 0.000 1.097 195 F CA 1.074 59.092 58.000 0.030 0.000 1.264 195 F CB -0.405 38.638 39.000 0.073 0.000 1.001 195 F HN 0.267 nan 8.300 nan 0.000 0.479 196 A N 0.386 123.286 122.820 0.133 0.000 1.883 196 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 196 A C 2.261 179.860 177.584 0.026 0.000 1.186 196 A CA 1.823 53.885 52.037 0.041 0.000 0.624 196 A CB -0.716 18.245 19.000 -0.066 0.000 0.822 196 A HN 0.332 nan 8.150 nan 0.000 0.444 197 R N -0.703 119.794 120.500 -0.005 0.000 2.148 197 R HA 0.049 4.389 4.340 -0.000 0.000 0.227 197 R C 1.498 177.813 176.300 0.024 0.000 1.103 197 R CA 1.044 57.155 56.100 0.019 0.000 0.983 197 R CB -0.378 29.918 30.300 -0.007 0.000 0.874 197 R HN 0.488 nan 8.270 nan 0.000 0.451 198 L N -0.650 120.575 121.223 0.002 0.000 2.599 198 L HA 0.129 4.469 4.340 -0.000 0.000 0.230 198 L C 1.180 178.073 176.870 0.039 0.000 1.141 198 L CA 0.523 55.360 54.840 -0.005 0.000 0.877 198 L CB 0.379 42.390 42.059 -0.081 0.000 1.009 198 L HN 0.504 nan 8.230 nan 0.000 0.447 199 G N -1.702 107.134 108.800 0.059 0.000 2.367 199 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.181 199 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.181 199 G C 0.269 175.218 174.900 0.082 0.000 1.000 199 G CA -0.177 44.962 45.100 0.066 0.000 0.693 199 G HN 0.214 nan 8.290 nan 0.000 0.480 200 S N 0.694 116.466 115.700 0.120 0.000 2.592 200 S HA 0.483 4.953 4.470 -0.000 0.000 0.271 200 S C 0.229 174.867 174.600 0.063 0.000 1.326 200 S CA -0.168 58.098 58.200 0.111 0.000 1.024 200 S CB 1.729 65.033 63.200 0.173 0.000 0.921 200 S HN 0.447 nan 8.310 nan 0.000 0.527 201 K N 2.747 123.170 120.400 0.038 0.000 2.263 201 K HA 0.359 4.679 4.320 -0.000 0.000 0.282 201 K C -1.260 175.344 176.600 0.006 0.000 1.089 201 K CA -0.332 55.967 56.287 0.019 0.000 0.907 201 K CB 0.195 32.704 32.500 0.014 0.000 1.148 201 K HN 0.360 nan 8.250 nan 0.000 0.470 202 V N 3.528 123.443 119.914 0.002 0.000 2.472 202 V HA 0.311 4.431 4.120 -0.000 0.000 0.290 202 V C -0.156 175.931 176.094 -0.012 0.000 1.037 202 V CA -0.604 61.689 62.300 -0.011 0.000 0.908 202 V CB 1.760 33.577 31.823 -0.010 0.000 0.985 202 V HN 0.761 nan 8.190 nan 0.000 0.454 203 T N 3.913 118.452 114.554 -0.024 0.000 2.840 203 T HA 0.500 4.850 4.350 -0.000 0.000 0.287 203 T C -0.484 174.200 174.700 -0.027 0.000 0.991 203 T CA -0.353 61.733 62.100 -0.024 0.000 0.964 203 T CB 1.516 70.361 68.868 -0.039 0.000 0.954 203 T HN 0.338 nan 8.240 nan 0.000 0.438 204 V N 4.759 124.671 119.914 -0.004 0.000 2.427 204 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 204 V C -0.549 175.515 176.094 -0.049 0.000 1.034 204 V CA -0.831 61.466 62.300 -0.004 0.000 0.893 204 V CB 1.241 33.103 31.823 0.066 0.000 0.982 204 V HN 0.661 nan 8.190 nan 0.000 0.452 205 L N 5.129 126.313 121.223 -0.065 0.000 2.277 205 L HA 0.701 5.041 4.340 -0.000 0.000 0.284 205 L C 0.415 177.228 176.870 -0.094 0.000 1.028 205 L CA 0.086 54.877 54.840 -0.082 0.000 0.835 205 L CB 1.231 43.246 42.059 -0.074 0.000 1.215 205 L HN 0.725 nan 8.230 nan 0.000 0.425 206 A N 3.398 126.148 122.820 -0.117 0.000 2.288 206 A HA 0.557 4.877 4.320 -0.000 0.000 0.320 206 A C 1.159 178.630 177.584 -0.188 0.000 1.217 206 A CA -0.572 51.372 52.037 -0.156 0.000 0.840 206 A CB 0.628 19.522 19.000 -0.177 0.000 1.179 206 A HN 0.794 nan 8.150 nan 0.000 0.504 207 R N 1.651 122.035 120.500 -0.192 0.000 2.103 207 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 207 R C 0.616 176.731 176.300 -0.308 0.000 1.142 207 R CA 2.443 58.423 56.100 -0.200 0.000 0.960 207 R CB -0.059 30.127 30.300 -0.191 0.000 0.858 207 R HN 0.885 nan 8.270 nan 0.000 0.439 208 N N -1.611 116.801 118.700 -0.480 0.000 2.374 208 N HA 0.069 4.809 4.740 -0.000 0.000 0.127 208 N C -0.444 174.636 175.510 -0.716 0.000 1.501 208 N CA 0.156 52.758 53.050 -0.747 0.000 1.119 208 N CB 0.549 38.342 38.487 -1.157 0.000 1.122 208 N HN 0.004 nan 8.380 nan 0.000 0.346 209 T N -0.825 113.490 114.554 -0.398 0.000 2.930 209 T HA 0.564 4.914 4.350 -0.000 0.000 0.290 209 T C -0.270 174.398 174.700 -0.053 0.000 1.052 209 T CA -0.839 61.164 62.100 -0.160 0.000 1.017 209 T CB 0.672 69.561 68.868 0.036 0.000 1.137 209 T HN 0.068 nan 8.240 nan 0.000 0.511 210 L N 1.339 122.536 121.223 -0.044 0.000 2.456 210 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 210 L C 0.085 177.006 176.870 0.086 0.000 1.189 210 L CA -0.339 54.447 54.840 -0.090 0.000 0.846 210 L CB -0.652 41.345 42.059 -0.104 0.000 1.111 210 L HN 0.834 nan 8.230 nan 0.000 0.475 211 F N 1.601 121.573 119.950 0.038 0.000 3.027 211 F HA -0.289 4.238 4.527 -0.000 0.000 0.276 211 F C 1.204 177.067 175.800 0.106 0.000 0.967 211 F CA 0.121 58.156 58.000 0.058 0.000 0.929 211 F CB -1.652 37.364 39.000 0.026 0.000 0.873 211 F HN 0.391 nan 8.300 nan 0.000 0.787 212 F N 1.672 121.647 119.950 0.042 0.000 2.192 212 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 212 F C 2.376 178.208 175.800 0.054 0.000 1.079 212 F CA 2.377 60.395 58.000 0.030 0.000 1.303 212 F CB -0.179 38.810 39.000 -0.018 0.000 1.024 212 F HN 0.299 nan 8.300 nan 0.000 0.494 213 R N -0.420 120.092 120.500 0.019 0.000 2.297 213 R HA 0.121 4.461 4.340 -0.000 0.000 0.197 213 R C 0.304 176.580 176.300 -0.039 0.000 0.943 213 R CA 0.231 56.279 56.100 -0.086 0.000 1.038 213 R CB -0.352 29.948 30.300 -0.001 0.000 0.957 213 R HN 0.168 nan 8.270 nan 0.000 0.484 214 E N 1.534 121.762 120.200 0.047 0.000 2.267 214 E HA 0.058 4.407 4.350 -0.000 0.000 0.258 214 E C -0.760 175.849 176.600 0.015 0.000 1.074 214 E CA -0.806 55.620 56.400 0.044 0.000 0.915 214 E CB 0.557 30.308 29.700 0.085 0.000 1.186 214 E HN 0.061 nan 8.360 nan 0.000 0.439 215 D N 2.222 122.630 120.400 0.012 0.000 2.533 215 D HA -0.049 4.591 4.640 -0.000 0.000 0.236 215 D C -1.337 174.977 176.300 0.023 0.000 1.137 215 D CA -1.043 52.960 54.000 0.005 0.000 0.867 215 D CB 0.887 41.697 40.800 0.016 0.000 1.170 215 D HN 0.030 nan 8.370 nan 0.000 0.474 216 P HA -0.176 nan 4.420 nan 0.000 0.220 216 P C 1.007 178.314 177.300 0.012 0.000 1.144 216 P CA 1.059 64.176 63.100 0.029 0.000 0.800 216 P CB 0.081 31.793 31.700 0.020 0.000 0.772 217 A N -0.179 122.602 122.820 -0.065 0.000 2.019 217 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 217 A C 2.325 179.970 177.584 0.100 0.000 1.164 217 A CA 1.036 52.969 52.037 -0.173 0.000 0.644 217 A CB -1.359 17.241 19.000 -0.666 0.000 0.805 217 A HN 0.153 nan 8.150 nan 0.000 0.449 218 I N -0.507 120.179 120.570 0.192 0.000 2.163 218 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 218 I C 2.751 178.939 176.117 0.118 0.000 1.081 218 I CA 1.255 62.660 61.300 0.176 0.000 1.353 218 I CB -0.772 37.212 38.000 -0.028 0.000 1.054 218 I HN 0.384 nan 8.210 nan 0.000 0.407 219 G N 0.226 109.125 108.800 0.166 0.000 2.450 219 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 219 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 219 G C 1.507 176.471 174.900 0.106 0.000 1.130 219 G CA 0.620 45.843 45.100 0.205 0.000 0.760 219 G HN 0.428 nan 8.290 nan 0.000 0.557 220 E N 0.394 120.649 120.200 0.092 0.000 2.047 220 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 220 E C 2.941 179.587 176.600 0.077 0.000 0.987 220 E CA 0.767 57.208 56.400 0.067 0.000 0.799 220 E CB -0.158 29.567 29.700 0.041 0.000 0.752 220 E HN 0.401 nan 8.360 nan 0.000 0.449 221 A N 0.875 123.768 122.820 0.123 0.000 1.898 221 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 221 A C 2.487 180.109 177.584 0.062 0.000 1.181 221 A CA 1.093 53.208 52.037 0.130 0.000 0.620 221 A CB -0.612 18.523 19.000 0.225 0.000 0.819 221 A HN 0.112 nan 8.150 nan 0.000 0.442 222 V N -0.314 119.610 119.914 0.017 0.000 2.358 222 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 222 V C 2.725 178.697 176.094 -0.203 0.000 1.047 222 V CA 2.419 64.659 62.300 -0.099 0.000 1.035 222 V CB -1.252 30.512 31.823 -0.099 0.000 0.658 222 V HN 0.591 nan 8.190 nan 0.000 0.452 223 T N 0.482 114.969 114.554 -0.112 0.000 2.708 223 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 223 T C 2.078 176.808 174.700 0.051 0.000 1.037 223 T CA 1.746 63.808 62.100 -0.064 0.000 1.146 223 T CB -0.433 68.429 68.868 -0.009 0.000 0.865 223 T HN 0.575 nan 8.240 nan 0.000 0.435 224 A N 1.370 124.228 122.820 0.063 0.000 1.902 224 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 224 A C 2.636 180.297 177.584 0.129 0.000 1.181 224 A CA 1.903 53.994 52.037 0.090 0.000 0.623 224 A CB -1.118 17.929 19.000 0.079 0.000 0.818 224 A HN 0.510 nan 8.150 nan 0.000 0.443 225 A N -0.916 121.992 122.820 0.147 0.000 1.858 225 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 225 A C 2.104 179.877 177.584 0.316 0.000 1.190 225 A CA 1.473 53.634 52.037 0.207 0.000 0.617 225 A CB -0.886 18.245 19.000 0.218 0.000 0.827 225 A HN 0.547 nan 8.150 nan 0.000 0.443 226 F N -0.543 119.438 119.950 0.052 0.000 2.095 226 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 226 F C 2.794 178.618 175.800 0.041 0.000 1.104 226 F CA 1.364 59.390 58.000 0.043 0.000 1.232 226 F CB -0.115 38.913 39.000 0.046 0.000 0.987 226 F HN 0.147 nan 8.300 nan 0.000 0.475 227 R N 0.046 120.693 120.500 0.245 0.000 2.115 227 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 227 R C 2.315 178.682 176.300 0.112 0.000 1.111 227 R CA 0.917 57.103 56.100 0.144 0.000 0.976 227 R CB -0.518 29.850 30.300 0.114 0.000 0.870 227 R HN 0.213 nan 8.270 nan 0.000 0.445 228 A N 1.758 124.651 122.820 0.122 0.000 2.070 228 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 228 A C 1.440 179.084 177.584 0.101 0.000 1.159 228 A CA 1.456 53.554 52.037 0.103 0.000 0.656 228 A CB -0.270 18.796 19.000 0.109 0.000 0.800 228 A HN 0.543 nan 8.150 nan 0.000 0.453 229 E N -2.050 118.209 120.200 0.100 0.000 2.558 229 E HA 0.423 4.773 4.350 -0.000 0.000 0.205 229 E C 0.784 177.418 176.600 0.057 0.000 1.006 229 E CA 0.235 56.690 56.400 0.093 0.000 0.961 229 E CB -0.225 29.532 29.700 0.095 0.000 1.044 229 E HN 0.647 nan 8.360 nan 0.000 0.465 230 G N 1.494 110.326 108.800 0.054 0.000 2.175 230 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 230 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 230 G C 0.156 175.071 174.900 0.025 0.000 0.982 230 G CA -0.004 45.119 45.100 0.038 0.000 0.641 230 G HN 0.342 nan 8.290 nan 0.000 0.527 231 I N 1.195 121.777 120.570 0.020 0.000 2.371 231 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 231 I C 0.552 176.710 176.117 0.068 0.000 1.028 231 I CA -0.621 60.686 61.300 0.010 0.000 1.345 231 I CB 1.299 39.251 38.000 -0.081 0.000 1.407 231 I HN 0.127 nan 8.210 nan 0.000 0.501 232 E N 6.335 126.560 120.200 0.042 0.000 2.223 232 E HA 0.273 4.623 4.350 -0.000 0.000 0.282 232 E C -1.254 175.368 176.600 0.037 0.000 1.046 232 E CA -0.274 56.143 56.400 0.029 0.000 0.857 232 E CB 1.002 30.700 29.700 -0.003 0.000 1.055 232 E HN 0.310 nan 8.360 nan 0.000 0.409 233 V N 6.949 126.884 119.914 0.035 0.000 2.326 233 V HA 0.251 4.371 4.120 -0.000 0.000 0.281 233 V C -0.261 175.795 176.094 -0.064 0.000 1.015 233 V CA -0.643 61.669 62.300 0.020 0.000 0.823 233 V CB 0.862 32.720 31.823 0.059 0.000 1.009 233 V HN 0.649 nan 8.190 nan 0.000 0.436 234 L N 5.247 126.394 121.223 -0.127 0.000 2.288 234 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 234 L C 0.606 177.391 176.870 -0.142 0.000 1.072 234 L CA -0.179 54.515 54.840 -0.243 0.000 0.862 234 L CB 0.468 42.298 42.059 -0.381 0.000 1.245 234 L HN 0.626 nan 8.230 nan 0.000 0.432 235 E N 2.372 122.524 120.200 -0.080 0.000 2.374 235 E HA 0.109 4.459 4.350 -0.000 0.000 0.260 235 E C -0.049 176.540 176.600 -0.019 0.000 1.101 235 E CA -0.629 55.706 56.400 -0.108 0.000 0.907 235 E CB 0.365 30.033 29.700 -0.054 0.000 1.014 235 E HN 0.419 nan 8.360 nan 0.000 0.427 236 H N -0.272 118.780 119.070 -0.029 0.000 2.626 236 H HA -0.143 4.413 4.556 -0.000 0.000 0.317 236 H C -0.753 174.584 175.328 0.016 0.000 1.140 236 H CA 0.915 56.947 56.048 -0.027 0.000 1.134 236 H CB -1.812 27.947 29.762 -0.005 0.000 1.486 236 H HN 0.314 nan 8.280 nan 0.000 0.417 237 T N 1.336 115.912 114.554 0.036 0.000 2.876 237 T HA 0.545 4.895 4.350 -0.000 0.000 0.289 237 T C 0.248 174.948 174.700 -0.001 0.000 1.014 237 T CA -0.972 61.165 62.100 0.063 0.000 0.986 237 T CB 3.019 71.916 68.868 0.049 0.000 1.021 237 T HN 0.417 nan 8.240 nan 0.000 0.458 238 Q N 0.690 120.498 119.800 0.014 0.000 2.456 238 Q HA 0.809 5.149 4.340 -0.000 0.000 0.284 238 Q C -1.652 174.345 176.000 -0.006 0.000 1.061 238 Q CA -1.480 54.314 55.803 -0.015 0.000 0.799 238 Q CB 2.208 30.933 28.738 -0.022 0.000 1.445 238 Q HN 0.662 nan 8.270 nan 0.000 0.411 239 A N 0.958 123.765 122.820 -0.022 0.000 2.260 239 A HA 0.465 4.785 4.320 -0.000 0.000 0.314 239 A C 0.570 178.145 177.584 -0.016 0.000 1.257 239 A CA -0.228 51.799 52.037 -0.016 0.000 0.871 239 A CB 0.767 19.749 19.000 -0.030 0.000 1.166 239 A HN 0.858 nan 8.150 nan 0.000 0.522 240 S N 1.222 116.919 115.700 -0.006 0.000 2.524 240 S HA 0.259 4.729 4.470 -0.000 0.000 0.216 240 S C 0.424 175.022 174.600 -0.003 0.000 0.987 240 S CA 0.336 58.533 58.200 -0.006 0.000 0.909 240 S CB -0.005 63.194 63.200 -0.002 0.000 0.781 240 S HN 0.797 nan 8.310 nan 0.000 0.521 241 Q N 0.144 119.946 119.800 0.003 0.000 2.352 241 Q HA 0.616 4.956 4.340 -0.000 0.000 0.270 241 Q C -2.226 173.790 176.000 0.026 0.000 1.006 241 Q CA -0.450 55.360 55.803 0.012 0.000 0.880 241 Q CB 2.254 31.000 28.738 0.014 0.000 1.392 241 Q HN 0.123 nan 8.270 nan 0.000 0.401 242 V N 2.113 122.052 119.914 0.041 0.000 2.588 242 V HA 1.034 5.154 4.120 -0.000 0.000 0.304 242 V C -0.723 175.434 176.094 0.105 0.000 1.042 242 V CA -0.124 62.228 62.300 0.087 0.000 0.877 242 V CB 1.432 33.311 31.823 0.095 0.000 0.996 242 V HN 0.876 nan 8.190 nan 0.000 0.425 243 A N 3.153 126.048 122.820 0.125 0.000 2.527 243 A HA 0.904 5.224 4.320 -0.000 0.000 0.293 243 A C -1.500 176.138 177.584 0.090 0.000 1.117 243 A CA -0.591 51.497 52.037 0.086 0.000 0.723 243 A CB 1.902 20.923 19.000 0.035 0.000 1.313 243 A HN 1.027 nan 8.150 nan 0.000 0.411 244 H N 0.030 119.033 119.070 -0.112 0.000 3.018 244 H HA 0.750 5.306 4.556 -0.000 0.000 0.334 244 H C -1.063 174.148 175.328 -0.195 0.000 0.983 244 H CA -0.201 55.679 56.048 -0.280 0.000 1.363 244 H CB 0.938 30.407 29.762 -0.487 0.000 1.668 244 H HN 0.660 nan 8.280 nan 0.000 0.513 245 M N 2.839 122.114 119.600 -0.542 0.000 2.520 245 M HA 0.232 4.712 4.480 -0.000 0.000 0.280 245 M C -0.853 175.221 176.300 -0.377 0.000 1.232 245 M CA -0.836 54.257 55.300 -0.344 0.000 0.892 245 M CB 2.490 34.986 32.600 -0.173 0.000 1.728 245 M HN 0.644 nan 8.290 nan 0.000 0.475 246 D N 1.533 121.785 120.400 -0.246 0.000 2.701 246 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 246 D C 0.966 177.138 176.300 -0.214 0.000 1.155 246 D CA 2.075 55.967 54.000 -0.181 0.000 0.649 246 D CB -1.299 39.423 40.800 -0.130 0.000 1.050 246 D HN 1.214 nan 8.370 nan 0.000 0.425 247 G N -0.071 108.558 108.800 -0.285 0.000 2.155 247 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 247 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 247 G C 0.082 174.824 174.900 -0.263 0.000 0.983 247 G CA 1.018 45.994 45.100 -0.207 0.000 0.676 247 G HN 0.816 nan 8.290 nan 0.000 0.528 248 E N -0.982 118.914 120.200 -0.508 0.000 2.408 248 E HA 0.716 5.066 4.350 -0.000 0.000 0.275 248 E C -1.016 175.345 176.600 -0.399 0.000 0.935 248 E CA -1.430 54.796 56.400 -0.290 0.000 0.775 248 E CB 1.119 30.749 29.700 -0.117 0.000 1.277 248 E HN 0.029 nan 8.360 nan 0.000 0.455 249 F N 0.818 120.754 119.950 -0.023 0.000 2.384 249 F HA 0.400 4.927 4.527 -0.000 0.000 0.338 249 F C -0.089 175.699 175.800 -0.021 0.000 1.103 249 F CA -0.516 57.519 58.000 0.058 0.000 1.157 249 F CB 1.769 40.805 39.000 0.060 0.000 1.167 249 F HN 0.199 nan 8.300 nan 0.000 0.529 250 V N 4.974 124.983 119.914 0.158 0.000 2.409 250 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 250 V C -0.738 175.410 176.094 0.089 0.000 1.017 250 V CA -0.672 61.675 62.300 0.078 0.000 0.841 250 V CB 1.272 33.107 31.823 0.019 0.000 1.003 250 V HN 0.413 nan 8.190 nan 0.000 0.426 251 L N 3.834 125.097 121.223 0.067 0.000 2.317 251 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 251 L C 0.547 177.435 176.870 0.029 0.000 1.024 251 L CA 0.024 54.891 54.840 0.045 0.000 0.810 251 L CB 1.895 43.968 42.059 0.023 0.000 1.240 251 L HN 0.520 nan 8.230 nan 0.000 0.427 252 T N 1.640 116.208 114.554 0.024 0.000 2.728 252 T HA 0.582 4.932 4.350 -0.000 0.000 0.296 252 T C 0.289 175.000 174.700 0.019 0.000 0.940 252 T CA -0.492 61.620 62.100 0.019 0.000 1.013 252 T CB 0.647 69.523 68.868 0.014 0.000 0.912 252 T HN 0.803 nan 8.240 nan 0.000 0.484 253 T N -1.171 113.401 114.554 0.029 0.000 2.864 253 T HA 0.419 4.769 4.350 -0.000 0.000 0.289 253 T C 1.625 176.358 174.700 0.056 0.000 1.082 253 T CA -0.204 61.921 62.100 0.042 0.000 1.009 253 T CB 1.383 70.283 68.868 0.053 0.000 1.234 253 T HN 0.399 nan 8.240 nan 0.000 0.526 254 T N -1.061 113.541 114.554 0.080 0.000 2.929 254 T HA -0.128 4.221 4.350 -0.000 0.000 0.271 254 T C 0.945 175.657 174.700 0.020 0.000 1.085 254 T CA 1.457 63.590 62.100 0.056 0.000 1.125 254 T CB -0.745 68.169 68.868 0.077 0.000 0.874 254 T HN 0.760 nan 8.240 nan 0.000 0.494 255 H N 0.722 119.794 119.070 0.002 0.000 2.537 255 H HA 0.542 5.098 4.556 -0.000 0.000 0.295 255 H C 1.293 176.623 175.328 0.003 0.000 1.054 255 H CA 0.318 56.369 56.048 0.005 0.000 1.156 255 H CB -0.062 29.704 29.762 0.007 0.000 1.468 255 H HN 0.739 nan 8.280 nan 0.000 0.551 256 G N 0.257 109.100 108.800 0.071 0.000 2.587 256 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.212 256 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.212 256 G C -0.479 174.447 174.900 0.044 0.000 1.327 256 G CA -0.617 44.509 45.100 0.044 0.000 0.898 256 G HN 0.394 nan 8.290 nan 0.000 0.551 257 E N -0.223 119.996 120.200 0.031 0.000 2.290 257 E HA 0.514 4.864 4.350 -0.000 0.000 0.277 257 E C 0.017 176.633 176.600 0.027 0.000 1.035 257 E CA -0.339 56.077 56.400 0.026 0.000 0.873 257 E CB 0.252 29.962 29.700 0.017 0.000 1.029 257 E HN 0.469 nan 8.360 nan 0.000 0.419 258 L N 5.206 126.444 121.223 0.025 0.000 2.362 258 L HA 0.563 4.903 4.340 -0.000 0.000 0.275 258 L C -0.183 176.701 176.870 0.023 0.000 0.998 258 L CA -0.820 54.031 54.840 0.018 0.000 0.820 258 L CB 1.775 43.839 42.059 0.008 0.000 1.270 258 L HN 0.480 nan 8.230 nan 0.000 0.415 259 R N 2.383 122.895 120.500 0.019 0.000 2.637 259 R HA 0.925 5.265 4.340 -0.000 0.000 0.291 259 R C -0.981 175.334 176.300 0.026 0.000 0.963 259 R CA -0.745 55.373 56.100 0.030 0.000 0.901 259 R CB 2.399 32.707 30.300 0.014 0.000 1.160 259 R HN 0.716 nan 8.270 nan 0.000 0.457 260 A N 0.957 123.811 122.820 0.058 0.000 2.612 260 A HA 0.289 4.609 4.320 -0.000 0.000 0.293 260 A C -0.532 177.116 177.584 0.107 0.000 1.075 260 A CA -0.821 51.236 52.037 0.034 0.000 0.680 260 A CB 1.449 20.425 19.000 -0.040 0.000 1.279 260 A HN 0.794 nan 8.150 nan 0.000 0.411 261 D N 0.325 120.752 120.400 0.046 0.000 2.194 261 D HA 0.022 4.662 4.640 -0.000 0.000 0.204 261 D C -0.018 176.350 176.300 0.114 0.000 0.964 261 D CA 1.146 55.190 54.000 0.074 0.000 0.846 261 D CB 0.331 41.138 40.800 0.012 0.000 0.962 261 D HN 0.272 nan 8.370 nan 0.000 0.490 262 K N 0.409 120.725 120.400 -0.142 0.000 2.477 262 K HA 0.462 4.782 4.320 -0.000 0.000 0.255 262 K C -1.165 174.950 176.600 -0.809 0.000 0.952 262 K CA -0.922 55.028 56.287 -0.562 0.000 0.826 262 K CB 2.891 34.687 32.500 -1.174 0.000 1.331 262 K HN -0.080 nan 8.250 nan 0.000 0.437 263 L N 2.782 123.280 121.223 -1.209 0.000 2.372 263 L HA 0.446 4.786 4.340 -0.000 0.000 0.274 263 L C -1.574 175.012 176.870 -0.473 0.000 0.988 263 L CA -0.842 53.440 54.840 -0.929 0.000 0.833 263 L CB 1.360 42.599 42.059 -1.365 0.000 1.236 263 L HN 0.518 nan 8.230 nan 0.000 0.410 264 L N 6.415 127.495 121.223 -0.239 0.000 2.275 264 L HA 0.656 4.996 4.340 -0.000 0.000 0.288 264 L C -1.096 175.763 176.870 -0.019 0.000 1.046 264 L CA -0.117 54.725 54.840 0.003 0.000 0.805 264 L CB 1.632 43.714 42.059 0.038 0.000 1.193 264 L HN 0.416 nan 8.230 nan 0.000 0.426 265 V N 5.595 125.543 119.914 0.056 0.000 2.334 265 V HA 0.766 4.886 4.120 -0.000 0.000 0.281 265 V C 0.250 176.359 176.094 0.025 0.000 1.016 265 V CA -0.025 62.268 62.300 -0.012 0.000 0.832 265 V CB 0.979 32.748 31.823 -0.090 0.000 0.999 265 V HN 0.953 nan 8.190 nan 0.000 0.439 266 A N 2.912 125.729 122.820 -0.005 0.000 3.266 266 A HA 0.514 4.834 4.320 -0.000 0.000 0.310 266 A C 0.635 178.205 177.584 -0.024 0.000 1.066 266 A CA 0.136 52.176 52.037 0.004 0.000 0.839 266 A CB 0.543 19.557 19.000 0.023 0.000 1.192 266 A HN 0.801 nan 8.150 nan 0.000 0.496 267 T N -2.282 112.253 114.554 -0.033 0.000 3.105 267 T HA 0.539 4.889 4.350 -0.000 0.000 0.253 267 T C 0.849 175.528 174.700 -0.034 0.000 1.047 267 T CA 0.449 62.522 62.100 -0.044 0.000 0.944 267 T CB 0.150 68.985 68.868 -0.055 0.000 1.016 267 T HN 2.089 nan 8.240 nan 0.000 0.544 268 G N 1.052 109.836 108.800 -0.025 0.000 2.351 268 G HA2 0.287 4.247 3.960 -0.000 0.000 0.353 268 G HA3 0.287 4.247 3.960 -0.000 0.000 0.353 268 G C -1.927 172.960 174.900 -0.021 0.000 1.358 268 G CA -1.359 43.726 45.100 -0.026 0.000 0.995 268 G HN 0.375 nan 8.290 nan 0.000 0.611 269 R N 0.305 120.789 120.500 -0.027 0.000 2.513 269 R HA 0.634 4.974 4.340 -0.000 0.000 0.301 269 R C -0.286 175.999 176.300 -0.025 0.000 0.968 269 R CA -0.429 55.657 56.100 -0.024 0.000 0.872 269 R CB 1.816 32.096 30.300 -0.035 0.000 1.177 269 R HN 0.958 nan 8.270 nan 0.000 0.444 270 T N -0.172 114.374 114.554 -0.015 0.000 2.837 270 T HA 0.404 4.754 4.350 -0.000 0.000 0.285 270 T C -2.082 172.611 174.700 -0.011 0.000 0.984 270 T CA -2.199 59.894 62.100 -0.012 0.000 1.049 270 T CB 1.561 70.425 68.868 -0.005 0.000 0.947 270 T HN 0.294 nan 8.240 nan 0.000 0.472 271 P HA 0.045 nan 4.420 nan 0.000 0.265 271 P C -0.634 176.667 177.300 0.001 0.000 1.187 271 P CA -0.302 62.794 63.100 -0.007 0.000 0.766 271 P CB 0.418 32.114 31.700 -0.007 0.000 0.820 272 N N 2.141 120.844 118.700 0.004 0.000 2.555 272 N HA 0.119 4.859 4.740 -0.000 0.000 0.244 272 N C 0.869 176.392 175.510 0.022 0.000 1.114 272 N CA 0.082 53.138 53.050 0.011 0.000 0.963 272 N CB 0.052 38.543 38.487 0.007 0.000 1.276 272 N HN 0.491 nan 8.380 nan 0.000 0.510 273 T N -2.261 112.309 114.554 0.026 0.000 3.087 273 T HA 0.215 4.565 4.350 -0.000 0.000 0.283 273 T C 1.388 176.115 174.700 0.045 0.000 0.956 273 T CA -0.299 61.825 62.100 0.040 0.000 0.894 273 T CB 0.527 69.415 68.868 0.032 0.000 1.160 273 T HN 0.170 nan 8.240 nan 0.000 0.532 274 R N 2.162 122.682 120.500 0.034 0.000 2.075 274 R HA 0.006 4.346 4.340 -0.000 0.000 0.232 274 R C 2.306 178.632 176.300 0.043 0.000 1.126 274 R CA 1.697 57.817 56.100 0.035 0.000 0.963 274 R CB -0.329 29.987 30.300 0.026 0.000 0.858 274 R HN 0.553 nan 8.270 nan 0.000 0.435 275 S N 0.312 116.036 115.700 0.040 0.000 2.786 275 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 275 S C 1.537 176.172 174.600 0.059 0.000 0.956 275 S CA 0.229 58.453 58.200 0.041 0.000 0.961 275 S CB -0.161 63.054 63.200 0.026 0.000 0.784 275 S HN 0.214 nan 8.310 nan 0.000 0.519 276 L N -0.096 121.182 121.223 0.092 0.000 2.556 276 L HA 0.410 4.750 4.340 -0.000 0.000 0.226 276 L C 1.516 178.533 176.870 0.243 0.000 1.089 276 L CA 0.256 55.197 54.840 0.168 0.000 0.864 276 L CB -0.544 41.642 42.059 0.213 0.000 1.067 276 L HN 0.435 nan 8.230 nan 0.000 0.477 277 A N 0.642 123.553 122.820 0.151 0.000 2.687 277 A HA -0.225 4.095 4.320 -0.000 0.000 0.299 277 A C 1.324 178.990 177.584 0.137 0.000 1.497 277 A CA 0.592 52.709 52.037 0.134 0.000 0.751 277 A CB -2.082 17.003 19.000 0.142 0.000 1.048 277 A HN 0.412 nan 8.150 nan 0.000 0.464 278 L N -1.092 120.181 121.223 0.084 0.000 2.189 278 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 278 L C 2.166 178.978 176.870 -0.097 0.000 1.097 278 L CA 1.716 56.523 54.840 -0.055 0.000 0.764 278 L CB -0.415 41.616 42.059 -0.046 0.000 0.900 278 L HN 0.549 nan 8.230 nan 0.000 0.436 279 D N 0.214 120.596 120.400 -0.030 0.000 2.178 279 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 279 D C 2.212 178.496 176.300 -0.027 0.000 0.980 279 D CA 1.416 55.398 54.000 -0.030 0.000 0.842 279 D CB 0.071 40.868 40.800 -0.005 0.000 0.948 279 D HN 0.340 nan 8.370 nan 0.000 0.472 280 A N 0.427 123.249 122.820 0.004 0.000 2.070 280 A HA 0.059 4.379 4.320 -0.000 0.000 0.220 280 A C 1.967 179.553 177.584 0.003 0.000 1.159 280 A CA 1.697 53.753 52.037 0.031 0.000 0.656 280 A CB -0.080 18.979 19.000 0.098 0.000 0.800 280 A HN 0.210 nan 8.150 nan 0.000 0.453 281 A N -2.026 120.734 122.820 -0.100 0.000 2.538 281 A HA 0.480 4.800 4.320 -0.000 0.000 0.269 281 A C 1.411 178.893 177.584 -0.170 0.000 1.231 281 A CA 0.839 52.777 52.037 -0.165 0.000 0.948 281 A CB -0.683 18.030 19.000 -0.477 0.000 1.110 281 A HN 1.794 nan 8.150 nan 0.000 0.529 282 G N -0.511 108.214 108.800 -0.126 0.000 2.246 282 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.273 282 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.273 282 G C -0.025 174.798 174.900 -0.128 0.000 1.055 282 G CA 0.356 45.395 45.100 -0.101 0.000 0.851 282 G HN 0.856 nan 8.290 nan 0.000 0.500 283 V N 1.136 120.947 119.914 -0.171 0.000 2.350 283 V HA 0.484 4.604 4.120 -0.000 0.000 0.276 283 V C 0.912 176.944 176.094 -0.104 0.000 1.028 283 V CA -0.125 62.078 62.300 -0.163 0.000 0.860 283 V CB 1.491 33.168 31.823 -0.244 0.000 0.990 283 V HN 0.371 nan 8.190 nan 0.000 0.453 284 T N 5.206 119.713 114.554 -0.078 0.000 2.910 284 T HA 0.515 4.865 4.350 -0.000 0.000 0.293 284 T C -0.098 174.576 174.700 -0.042 0.000 1.015 284 T CA -0.214 61.854 62.100 -0.053 0.000 1.094 284 T CB 1.397 70.238 68.868 -0.044 0.000 0.968 284 T HN 0.699 nan 8.240 nan 0.000 0.521 285 V N 0.902 120.798 119.914 -0.030 0.000 2.823 285 V HA 0.729 4.849 4.120 -0.000 0.000 0.312 285 V C -0.139 175.945 176.094 -0.016 0.000 1.072 285 V CA -1.457 60.831 62.300 -0.021 0.000 0.937 285 V CB 1.781 33.596 31.823 -0.014 0.000 1.013 285 V HN 0.893 nan 8.190 nan 0.000 0.430 286 N N 3.439 122.131 118.700 -0.013 0.000 2.374 286 N HA 0.505 5.245 4.740 -0.000 0.000 0.284 286 N C 1.245 176.751 175.510 -0.007 0.000 1.280 286 N CA 0.158 53.202 53.050 -0.010 0.000 0.963 286 N CB 0.274 38.755 38.487 -0.010 0.000 1.141 286 N HN 0.939 nan 8.380 nan 0.000 0.565 287 A N -0.782 122.036 122.820 -0.005 0.000 1.883 287 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 287 A C 1.967 179.550 177.584 -0.003 0.000 1.186 287 A CA 1.855 53.891 52.037 -0.002 0.000 0.624 287 A CB -1.173 17.827 19.000 -0.000 0.000 0.822 287 A HN 0.757 nan 8.150 nan 0.000 0.444 288 Q N -1.569 118.228 119.800 -0.004 0.000 2.437 288 Q HA 0.258 4.598 4.340 -0.000 0.000 0.210 288 Q C 1.311 177.308 176.000 -0.005 0.000 0.972 288 Q CA 1.013 56.813 55.803 -0.005 0.000 0.903 288 Q CB -0.155 28.578 28.738 -0.008 0.000 0.967 288 Q HN 1.025 nan 8.270 nan 0.000 0.486 289 G N -0.933 107.864 108.800 -0.005 0.000 2.176 289 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.232 289 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.232 289 G C 0.141 175.039 174.900 -0.004 0.000 0.986 289 G CA -0.251 44.847 45.100 -0.003 0.000 0.643 289 G HN 0.593 nan 8.290 nan 0.000 0.522 290 A N 0.539 123.354 122.820 -0.008 0.000 2.409 290 A HA 0.680 5.000 4.320 -0.000 0.000 0.262 290 A C 0.736 178.314 177.584 -0.011 0.000 1.113 290 A CA -0.232 51.799 52.037 -0.010 0.000 0.790 290 A CB 0.193 19.185 19.000 -0.014 0.000 1.046 290 A HN 0.762 nan 8.150 nan 0.000 0.496 291 I N 3.014 123.579 120.570 -0.008 0.000 2.587 291 I HA 0.005 4.174 4.170 -0.000 0.000 0.284 291 I C 0.032 176.138 176.117 -0.018 0.000 1.134 291 I CA -0.022 61.270 61.300 -0.014 0.000 1.410 291 I CB 0.606 38.602 38.000 -0.006 0.000 1.392 291 I HN 0.315 nan 8.210 nan 0.000 0.545 292 V N 8.153 128.051 119.914 -0.027 0.000 2.521 292 V HA 0.226 4.346 4.120 -0.000 0.000 0.286 292 V C 0.289 176.362 176.094 -0.035 0.000 1.034 292 V CA 0.037 62.321 62.300 -0.028 0.000 1.045 292 V CB 0.473 32.278 31.823 -0.030 0.000 0.974 292 V HN 0.589 nan 8.190 nan 0.000 0.480 293 I N 1.334 121.888 120.570 -0.027 0.000 3.074 293 I HA 0.827 4.997 4.170 -0.000 0.000 0.310 293 I C -0.658 175.445 176.117 -0.024 0.000 1.153 293 I CA -1.060 60.221 61.300 -0.031 0.000 0.993 293 I CB 2.486 40.479 38.000 -0.010 0.000 1.237 293 I HN 0.594 nan 8.210 nan 0.000 0.443 294 D N 1.582 121.965 120.400 -0.029 0.000 2.567 294 D HA 0.236 4.876 4.640 -0.000 0.000 0.275 294 D C 0.564 176.867 176.300 0.006 0.000 1.195 294 D CA -0.412 53.579 54.000 -0.015 0.000 1.087 294 D CB 0.415 41.200 40.800 -0.025 0.000 1.165 294 D HN 0.690 nan 8.370 nan 0.000 0.609 295 Q N -0.993 118.814 119.800 0.013 0.000 2.234 295 Q HA -0.001 4.339 4.340 -0.000 0.000 0.206 295 Q C 1.394 177.420 176.000 0.043 0.000 0.980 295 Q CA 1.416 57.235 55.803 0.025 0.000 0.869 295 Q CB -0.278 28.474 28.738 0.024 0.000 0.912 295 Q HN 0.676 nan 8.270 nan 0.000 0.436 296 G N -0.793 108.038 108.800 0.053 0.000 3.605 296 G HA2 0.271 4.231 3.960 -0.000 0.000 0.277 296 G HA3 0.271 4.231 3.960 -0.000 0.000 0.277 296 G C 0.193 175.193 174.900 0.167 0.000 1.093 296 G CA -0.354 44.807 45.100 0.102 0.000 0.821 296 G HN 0.125 nan 8.290 nan 0.000 0.532 297 M N -1.029 118.637 119.600 0.109 0.000 2.908 297 M HA -0.157 4.323 4.480 -0.000 0.000 0.191 297 M C 0.813 177.154 176.300 0.069 0.000 0.619 297 M CA 0.306 55.688 55.300 0.137 0.000 0.709 297 M CB -1.627 31.104 32.600 0.218 0.000 2.554 297 M HN 0.323 nan 8.290 nan 0.000 0.356 298 R N 0.565 120.989 120.500 -0.127 0.000 2.438 298 R HA 0.494 4.834 4.340 -0.000 0.000 0.287 298 R C 1.064 177.210 176.300 -0.257 0.000 1.077 298 R CA 0.571 56.392 56.100 -0.464 0.000 1.034 298 R CB 0.690 30.724 30.300 -0.442 0.000 0.993 298 R HN 0.483 nan 8.270 nan 0.000 0.459 299 T N -1.689 112.702 114.554 -0.272 0.000 2.852 299 T HA 0.064 4.414 4.350 -0.000 0.000 0.281 299 T C 1.481 176.091 174.700 -0.151 0.000 0.993 299 T CA -0.375 61.630 62.100 -0.158 0.000 0.933 299 T CB 1.198 69.987 68.868 -0.131 0.000 1.187 299 T HN 0.552 nan 8.240 nan 0.000 0.559 300 S N -0.165 115.468 115.700 -0.111 0.000 2.465 300 S HA -0.113 4.357 4.470 -0.000 0.000 0.241 300 S C 0.968 175.511 174.600 -0.095 0.000 1.000 300 S CA 0.559 58.704 58.200 -0.092 0.000 0.964 300 S CB -0.719 62.437 63.200 -0.074 0.000 0.763 300 S HN 0.815 nan 8.310 nan 0.000 0.512 301 N N 2.133 120.764 118.700 -0.114 0.000 2.699 301 N HA 0.291 5.030 4.740 -0.000 0.000 0.232 301 N C -2.417 173.025 175.510 -0.112 0.000 1.027 301 N CA -2.181 50.814 53.050 -0.091 0.000 0.920 301 N CB 1.293 39.726 38.487 -0.091 0.000 1.148 301 N HN -0.077 nan 8.380 nan 0.000 0.509 302 P HA -0.152 nan 4.420 nan 0.000 0.219 302 P C 0.388 177.627 177.300 -0.102 0.000 1.149 302 P CA 1.389 64.402 63.100 -0.145 0.000 0.835 302 P CB 0.349 32.012 31.700 -0.062 0.000 0.778 303 N N -1.619 117.099 118.700 0.031 0.000 2.463 303 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 303 N C 0.368 176.017 175.510 0.232 0.000 1.078 303 N CA 0.444 53.606 53.050 0.186 0.000 0.902 303 N CB -0.054 38.576 38.487 0.239 0.000 0.970 303 N HN 0.190 nan 8.380 nan 0.000 0.451 304 I N 0.407 121.020 120.570 0.072 0.000 2.433 304 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 304 I C -0.980 175.139 176.117 0.003 0.000 1.001 304 I CA -0.838 60.515 61.300 0.088 0.000 1.119 304 I CB 1.156 39.146 38.000 -0.016 0.000 1.289 304 I HN -0.125 nan 8.210 nan 0.000 0.438 305 Y N 3.728 124.013 120.300 -0.025 0.000 2.587 305 Y HA 0.832 5.382 4.550 -0.000 0.000 0.337 305 Y C 0.164 176.058 175.900 -0.010 0.000 1.065 305 Y CA -1.128 56.962 58.100 -0.016 0.000 1.126 305 Y CB 1.934 40.387 38.460 -0.013 0.000 1.279 305 Y HN 0.550 nan 8.280 nan 0.000 0.489 306 A N 0.606 123.517 122.820 0.151 0.000 2.515 306 A HA 0.980 5.300 4.320 -0.000 0.000 0.298 306 A C -1.522 176.107 177.584 0.074 0.000 1.059 306 A CA -0.237 51.852 52.037 0.086 0.000 0.698 306 A CB 1.362 20.388 19.000 0.043 0.000 1.289 306 A HN 1.152 nan 8.150 nan 0.000 0.404 307 A N 0.339 123.189 122.820 0.051 0.000 2.594 307 A HA 1.006 5.326 4.320 -0.000 0.000 0.295 307 A C 0.373 177.967 177.584 0.018 0.000 1.071 307 A CA 0.344 52.403 52.037 0.037 0.000 0.685 307 A CB 0.696 19.721 19.000 0.042 0.000 1.285 307 A HN 2.943 nan 8.150 nan 0.000 0.405 308 G N 0.715 109.519 108.800 0.007 0.000 2.568 308 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.222 308 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.222 308 G C 0.067 174.951 174.900 -0.027 0.000 1.321 308 G CA 0.556 45.649 45.100 -0.011 0.000 0.893 308 G HN 0.899 nan 8.290 nan 0.000 0.569 309 D N -0.017 120.360 120.400 -0.039 0.000 2.354 309 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 309 D C 2.432 178.713 176.300 -0.033 0.000 0.970 309 D CA 1.841 55.811 54.000 -0.051 0.000 0.905 309 D CB -0.576 40.190 40.800 -0.056 0.000 0.903 309 D HN 0.920 nan 8.370 nan 0.000 0.508 310 C N -0.789 118.502 119.300 -0.016 0.000 2.562 310 C HA 0.216 4.676 4.460 -0.000 0.000 0.266 310 C C 1.458 176.445 174.990 -0.006 0.000 1.382 310 C CA -0.005 59.009 59.018 -0.006 0.000 1.742 310 C CB -1.414 26.332 27.740 0.009 0.000 1.812 310 C HN 0.229 nan 8.230 nan 0.000 0.559 311 T N -1.188 113.360 114.554 -0.011 0.000 2.876 311 T HA 0.416 4.766 4.350 -0.000 0.000 0.277 311 T C 0.523 175.210 174.700 -0.022 0.000 0.997 311 T CA 0.534 62.628 62.100 -0.011 0.000 0.966 311 T CB 1.051 69.916 68.868 -0.004 0.000 1.312 311 T HN 0.385 nan 8.240 nan 0.000 0.598 312 D N -1.103 119.285 120.400 -0.021 0.000 2.328 312 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 312 D C 0.367 176.647 176.300 -0.033 0.000 1.072 312 D CA -0.167 53.817 54.000 -0.027 0.000 0.850 312 D CB -0.402 40.386 40.800 -0.021 0.000 0.922 312 D HN 0.634 nan 8.370 nan 0.000 0.516 313 Q N 0.914 120.696 119.800 -0.030 0.000 2.474 313 Q HA 0.221 4.561 4.340 -0.000 0.000 0.256 313 Q C -2.142 173.821 176.000 -0.062 0.000 1.048 313 Q CA -1.293 54.493 55.803 -0.028 0.000 0.922 313 Q CB -0.075 28.653 28.738 -0.015 0.000 1.288 313 Q HN 0.100 nan 8.270 nan 0.000 0.484 314 P HA -0.104 nan 4.420 nan 0.000 0.264 314 P C -1.089 176.039 177.300 -0.287 0.000 1.183 314 P CA 0.502 63.535 63.100 -0.111 0.000 0.763 314 P CB 0.346 32.114 31.700 0.113 0.000 0.807 315 Q N 2.966 122.439 119.800 -0.546 0.000 2.844 315 Q HA 0.304 4.644 4.340 -0.000 0.000 0.235 315 Q C -0.752 174.750 176.000 -0.829 0.000 1.336 315 Q CA 0.216 55.699 55.803 -0.534 0.000 1.026 315 Q CB -0.366 28.150 28.738 -0.370 0.000 1.513 315 Q HN 0.457 nan 8.270 nan 0.000 0.577 316 F N -1.045 118.771 119.950 -0.224 0.000 2.565 316 F HA 0.165 4.692 4.527 -0.000 0.000 0.313 316 F C 0.885 176.459 175.800 -0.376 0.000 1.091 316 F CA -1.006 56.756 58.000 -0.397 0.000 0.915 316 F CB 1.388 39.852 39.000 -0.893 0.000 1.208 316 F HN 0.019 nan 8.300 nan 0.000 0.453 317 V N 3.177 123.066 119.914 -0.042 0.000 2.490 317 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 317 V C 1.705 177.828 176.094 0.048 0.000 1.061 317 V CA 2.171 64.490 62.300 0.032 0.000 1.064 317 V CB -0.575 31.326 31.823 0.130 0.000 0.670 317 V HN 0.825 nan 8.190 nan 0.000 0.461 318 Y N -1.721 118.669 120.300 0.150 0.000 2.509 318 Y HA 0.095 4.645 4.550 -0.000 0.000 0.293 318 Y C 2.121 178.080 175.900 0.098 0.000 1.133 318 Y CA 1.184 59.343 58.100 0.098 0.000 1.283 318 Y CB -1.043 37.454 38.460 0.062 0.000 1.001 318 Y HN 0.073 nan 8.280 nan 0.000 0.555 319 V N 0.743 120.585 119.914 -0.121 0.000 2.535 319 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 319 V C 2.713 178.818 176.094 0.019 0.000 1.045 319 V CA 1.363 63.664 62.300 0.001 0.000 1.058 319 V CB -0.879 30.938 31.823 -0.010 0.000 0.689 319 V HN 0.562 nan 8.190 nan 0.000 0.461 320 A N 0.234 123.050 122.820 -0.006 0.000 1.902 320 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 320 A C 2.406 180.013 177.584 0.038 0.000 1.181 320 A CA 2.043 54.087 52.037 0.012 0.000 0.623 320 A CB -0.744 18.257 19.000 0.003 0.000 0.818 320 A HN 0.534 nan 8.150 nan 0.000 0.443 321 A N -0.138 122.718 122.820 0.060 0.000 1.902 321 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 321 A C 2.505 180.123 177.584 0.058 0.000 1.181 321 A CA 2.050 54.127 52.037 0.067 0.000 0.623 321 A CB -1.031 18.023 19.000 0.089 0.000 0.818 321 A HN 1.067 nan 8.150 nan 0.000 0.443 322 A N -0.217 122.646 122.820 0.073 0.000 1.933 322 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 322 A C 2.458 180.071 177.584 0.047 0.000 1.175 322 A CA 2.028 54.104 52.037 0.064 0.000 0.628 322 A CB -0.881 18.171 19.000 0.086 0.000 0.814 322 A HN 1.009 nan 8.150 nan 0.000 0.444 323 A N -0.513 122.334 122.820 0.045 0.000 1.898 323 A HA 0.179 4.499 4.320 -0.000 0.000 0.216 323 A C 2.395 179.999 177.584 0.032 0.000 1.181 323 A CA 1.786 53.847 52.037 0.040 0.000 0.620 323 A CB -1.302 17.720 19.000 0.037 0.000 0.819 323 A HN 0.681 nan 8.150 nan 0.000 0.442 324 G N -1.053 107.762 108.800 0.025 0.000 2.402 324 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 324 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 324 G C 1.571 176.465 174.900 -0.009 0.000 1.162 324 G CA 1.631 46.736 45.100 0.008 0.000 0.777 324 G HN 0.415 nan 8.290 nan 0.000 0.539 325 T N 0.715 115.270 114.554 0.002 0.000 2.684 325 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 325 T C 2.506 177.197 174.700 -0.016 0.000 1.036 325 T CA 1.322 63.418 62.100 -0.007 0.000 1.148 325 T CB -0.154 68.717 68.868 0.006 0.000 0.863 325 T HN 0.263 nan 8.240 nan 0.000 0.436 326 R N 0.808 121.308 120.500 -0.001 0.000 2.115 326 R HA 0.119 4.459 4.340 -0.000 0.000 0.230 326 R C 2.799 179.087 176.300 -0.020 0.000 1.111 326 R CA 1.042 57.143 56.100 0.003 0.000 0.976 326 R CB -0.392 29.924 30.300 0.027 0.000 0.870 326 R HN 0.351 nan 8.270 nan 0.000 0.445 327 A N 1.365 124.166 122.820 -0.032 0.000 1.902 327 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 327 A C 2.375 179.795 177.584 -0.273 0.000 1.181 327 A CA 1.671 53.638 52.037 -0.117 0.000 0.623 327 A CB -0.657 18.306 19.000 -0.062 0.000 0.818 327 A HN 0.379 nan 8.150 nan 0.000 0.443 328 A N -0.171 122.550 122.820 -0.166 0.000 1.933 328 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 328 A C 2.109 179.611 177.584 -0.136 0.000 1.175 328 A CA 1.479 53.422 52.037 -0.157 0.000 0.628 328 A CB -0.586 18.361 19.000 -0.089 0.000 0.814 328 A HN 0.515 nan 8.150 nan 0.000 0.444 329 I N 0.056 120.569 120.570 -0.094 0.000 2.179 329 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 329 I C 1.894 177.972 176.117 -0.066 0.000 1.088 329 I CA 1.372 62.637 61.300 -0.058 0.000 1.357 329 I CB -0.450 37.535 38.000 -0.025 0.000 1.051 329 I HN 0.290 nan 8.210 nan 0.000 0.409 330 N N 0.549 119.198 118.700 -0.085 0.000 2.309 330 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 330 N C 1.733 177.173 175.510 -0.117 0.000 1.018 330 N CA 1.192 54.222 53.050 -0.034 0.000 0.876 330 N CB -0.214 38.345 38.487 0.121 0.000 0.972 330 N HN 0.383 nan 8.380 nan 0.000 0.434 331 M N -0.245 119.149 119.600 -0.343 0.000 2.492 331 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 331 M C 0.708 176.947 176.300 -0.102 0.000 1.090 331 M CA 0.908 56.024 55.300 -0.306 0.000 1.110 331 M CB -0.082 32.260 32.600 -0.429 0.000 1.407 331 M HN 0.110 nan 8.290 nan 0.000 0.470 332 T N -3.397 111.109 114.554 -0.081 0.000 3.248 332 T HA 0.538 4.888 4.350 -0.000 0.000 0.271 332 T C 1.108 175.802 174.700 -0.011 0.000 1.005 332 T CA 0.240 62.319 62.100 -0.035 0.000 0.902 332 T CB 0.400 69.245 68.868 -0.038 0.000 1.102 332 T HN 0.538 nan 8.240 nan 0.000 0.548 333 G N 0.635 109.437 108.800 0.003 0.000 2.317 333 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.227 333 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.227 333 G C 0.703 175.614 174.900 0.019 0.000 1.042 333 G CA -0.176 44.935 45.100 0.018 0.000 0.623 333 G HN 1.043 nan 8.290 nan 0.000 0.509 334 G N -0.233 108.572 108.800 0.007 0.000 2.712 334 G HA2 0.384 4.344 3.960 -0.000 0.000 0.258 334 G HA3 0.384 4.344 3.960 -0.000 0.000 0.258 334 G C -0.465 174.451 174.900 0.027 0.000 1.241 334 G CA 0.798 45.905 45.100 0.011 0.000 0.923 334 G HN 0.476 nan 8.290 nan 0.000 0.548 335 D N -0.429 119.987 120.400 0.028 0.000 2.364 335 D HA 0.501 5.141 4.640 -0.000 0.000 0.251 335 D C -0.248 176.073 176.300 0.035 0.000 1.282 335 D CA -0.218 53.806 54.000 0.039 0.000 0.927 335 D CB 0.776 41.597 40.800 0.035 0.000 1.267 335 D HN 0.542 nan 8.370 nan 0.000 0.531 336 A N 1.180 124.023 122.820 0.039 0.000 2.350 336 A HA 0.967 5.287 4.320 -0.000 0.000 0.318 336 A C -0.959 176.652 177.584 0.045 0.000 1.132 336 A CA -0.491 51.567 52.037 0.035 0.000 0.811 336 A CB 1.817 20.832 19.000 0.025 0.000 1.313 336 A HN 0.484 nan 8.150 nan 0.000 0.454 337 A N 0.114 122.957 122.820 0.038 0.000 2.475 337 A HA 0.648 4.968 4.320 -0.000 0.000 0.301 337 A C -1.350 176.257 177.584 0.037 0.000 1.059 337 A CA -0.496 51.565 52.037 0.041 0.000 0.710 337 A CB 1.226 20.247 19.000 0.035 0.000 1.288 337 A HN 1.635 nan 8.150 nan 0.000 0.408 338 L N 1.607 122.853 121.223 0.040 0.000 2.265 338 L HA 0.546 4.885 4.340 -0.000 0.000 0.288 338 L C -0.699 176.192 176.870 0.035 0.000 1.058 338 L CA 0.043 54.907 54.840 0.039 0.000 0.809 338 L CB 0.828 42.913 42.059 0.043 0.000 1.179 338 L HN 0.642 nan 8.230 nan 0.000 0.429 339 D N 4.723 125.143 120.400 0.034 0.000 2.349 339 D HA 0.260 4.900 4.640 -0.000 0.000 0.232 339 D C 0.095 176.415 176.300 0.033 0.000 1.071 339 D CA -0.107 53.911 54.000 0.030 0.000 0.832 339 D CB 0.940 41.757 40.800 0.027 0.000 1.086 339 D HN 0.645 nan 8.370 nan 0.000 0.504 340 L N 3.229 124.468 121.223 0.026 0.000 2.818 340 L HA 0.119 4.459 4.340 -0.000 0.000 0.243 340 L C 1.831 178.704 176.870 0.006 0.000 1.185 340 L CA -0.154 54.703 54.840 0.028 0.000 0.988 340 L CB 0.195 42.273 42.059 0.031 0.000 1.292 340 L HN 0.362 nan 8.230 nan 0.000 0.519 341 T N 0.984 115.541 114.554 0.006 0.000 2.635 341 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 341 T C 1.470 176.169 174.700 -0.002 0.000 1.040 341 T CA 1.919 64.019 62.100 0.000 0.000 1.156 341 T CB -0.003 68.882 68.868 0.027 0.000 0.863 341 T HN 0.454 nan 8.240 nan 0.000 0.430 342 A N 0.798 123.622 122.820 0.007 0.000 2.833 342 A HA 0.517 4.837 4.320 -0.000 0.000 0.293 342 A C 0.538 178.116 177.584 -0.010 0.000 1.338 342 A CA -0.383 51.653 52.037 -0.001 0.000 0.959 342 A CB -0.588 18.412 19.000 0.000 0.000 1.094 342 A HN 0.505 nan 8.150 nan 0.000 0.569 343 M N 2.810 122.410 119.600 -0.001 0.000 2.251 343 M HA 0.240 4.720 4.480 -0.000 0.000 0.346 343 M C -2.450 173.835 176.300 -0.027 0.000 1.499 343 M CA -1.508 53.803 55.300 0.018 0.000 1.128 343 M CB 0.934 33.571 32.600 0.062 0.000 1.809 343 M HN 0.122 nan 8.290 nan 0.000 0.464 344 P HA 0.481 nan 4.420 nan 0.000 0.284 344 P C -1.834 175.335 177.300 -0.219 0.000 1.258 344 P CA -0.531 62.484 63.100 -0.143 0.000 0.824 344 P CB 1.431 33.017 31.700 -0.189 0.000 1.038 345 A N 1.936 124.603 122.820 -0.255 0.000 2.422 345 A HA 0.655 4.975 4.320 -0.000 0.000 0.302 345 A C -1.131 176.289 177.584 -0.274 0.000 1.041 345 A CA -0.629 51.168 52.037 -0.400 0.000 0.708 345 A CB 1.444 20.324 19.000 -0.199 0.000 1.257 345 A HN 0.296 nan 8.150 nan 0.000 0.414 346 V N 1.949 121.695 119.914 -0.281 0.000 2.789 346 V HA 0.570 4.689 4.120 -0.000 0.000 0.311 346 V C -0.661 175.268 176.094 -0.276 0.000 1.073 346 V CA -0.594 61.499 62.300 -0.345 0.000 0.921 346 V CB 2.023 33.515 31.823 -0.553 0.000 1.009 346 V HN 0.707 nan 8.190 nan 0.000 0.426 347 V N 4.244 123.985 119.914 -0.288 0.000 2.378 347 V HA 0.403 4.523 4.120 -0.000 0.000 0.288 347 V C -0.349 175.645 176.094 -0.166 0.000 1.016 347 V CA -0.321 61.938 62.300 -0.068 0.000 0.840 347 V CB 1.399 33.258 31.823 0.061 0.000 0.994 347 V HN 0.769 nan 8.190 nan 0.000 0.431 348 F N 3.339 123.364 119.950 0.124 0.000 2.859 348 F HA 0.166 4.693 4.527 -0.000 0.000 0.315 348 F C 1.561 177.434 175.800 0.122 0.000 1.207 348 F CA -0.247 57.811 58.000 0.096 0.000 1.370 348 F CB -0.503 38.545 39.000 0.081 0.000 1.314 348 F HN 0.576 nan 8.300 nan 0.000 0.555 349 T N -3.595 111.101 114.554 0.237 0.000 2.852 349 T HA 0.401 4.751 4.350 -0.000 0.000 0.281 349 T C -0.714 174.103 174.700 0.195 0.000 0.993 349 T CA -0.824 61.438 62.100 0.269 0.000 0.933 349 T CB 1.875 70.955 68.868 0.353 0.000 1.187 349 T HN 0.077 nan 8.240 nan 0.000 0.559 350 D N 1.329 121.845 120.400 0.193 0.000 2.542 350 D HA 0.407 5.047 4.640 -0.000 0.000 0.252 350 D C -2.597 173.781 176.300 0.131 0.000 1.222 350 D CA -1.975 52.108 54.000 0.138 0.000 0.895 350 D CB 1.402 42.281 40.800 0.130 0.000 1.207 350 D HN 0.270 nan 8.370 nan 0.000 0.558 351 P HA 0.061 nan 4.420 nan 0.000 0.270 351 P C -0.519 176.791 177.300 0.016 0.000 1.223 351 P CA -0.270 62.857 63.100 0.046 0.000 0.785 351 P CB 0.910 32.613 31.700 0.004 0.000 0.923 352 Q N -0.135 119.646 119.800 -0.033 0.000 2.382 352 Q HA 0.401 4.741 4.340 -0.000 0.000 0.229 352 Q C -0.369 175.521 176.000 -0.183 0.000 1.006 352 Q CA -0.752 54.993 55.803 -0.098 0.000 0.916 352 Q CB 0.677 29.323 28.738 -0.154 0.000 1.235 352 Q HN 0.226 nan 8.270 nan 0.000 0.512 353 V N 0.443 120.215 119.914 -0.237 0.000 2.513 353 V HA 0.792 4.912 4.120 -0.000 0.000 0.299 353 V C -0.670 175.247 176.094 -0.295 0.000 1.035 353 V CA -0.620 61.489 62.300 -0.318 0.000 0.889 353 V CB 1.498 33.045 31.823 -0.461 0.000 0.988 353 V HN 0.847 nan 8.190 nan 0.000 0.440 354 A N 3.046 125.702 122.820 -0.274 0.000 2.488 354 A HA 0.936 5.256 4.320 -0.000 0.000 0.298 354 A C -0.367 177.110 177.584 -0.178 0.000 1.044 354 A CA -0.242 51.658 52.037 -0.227 0.000 0.693 354 A CB 2.142 21.013 19.000 -0.215 0.000 1.272 354 A HN 1.006 nan 8.150 nan 0.000 0.402 355 T N -1.808 112.661 114.554 -0.142 0.000 2.864 355 T HA 0.828 5.178 4.350 -0.000 0.000 0.299 355 T C -1.079 173.573 174.700 -0.079 0.000 1.166 355 T CA -0.663 61.382 62.100 -0.091 0.000 1.007 355 T CB 1.402 70.231 68.868 -0.066 0.000 1.219 355 T HN 2.123 nan 8.240 nan 0.000 0.506 356 V N 0.310 120.196 119.914 -0.047 0.000 2.966 356 V HA 0.642 4.762 4.120 -0.000 0.000 0.288 356 V C 0.348 176.434 176.094 -0.013 0.000 1.380 356 V CA 1.108 63.385 62.300 -0.039 0.000 0.966 356 V CB 1.068 32.867 31.823 -0.040 0.000 1.115 356 V HN 2.290 nan 8.190 nan 0.000 0.436 357 G N 4.946 113.729 108.800 -0.028 0.000 2.598 357 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 357 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 357 G C -0.801 174.074 174.900 -0.042 0.000 1.302 357 G CA 0.416 45.510 45.100 -0.009 0.000 0.903 357 G HN 1.469 nan 8.290 nan 0.000 0.575 358 Y N 1.425 121.715 120.300 -0.017 0.000 2.304 358 Y HA 0.511 5.061 4.550 -0.000 0.000 0.327 358 Y C 1.389 177.266 175.900 -0.038 0.000 1.209 358 Y CA 0.188 58.271 58.100 -0.028 0.000 1.299 358 Y CB 1.397 39.837 38.460 -0.034 0.000 1.249 358 Y HN 0.890 nan 8.280 nan 0.000 0.519 359 S N 0.559 116.324 115.700 0.108 0.000 2.687 359 S HA 0.276 4.746 4.470 -0.000 0.000 0.283 359 S C 0.770 175.357 174.600 -0.022 0.000 1.170 359 S CA -0.799 57.421 58.200 0.032 0.000 1.008 359 S CB 1.411 64.612 63.200 0.001 0.000 1.026 359 S HN 0.782 nan 8.310 nan 0.000 0.541 360 E N 0.889 121.030 120.200 -0.098 0.000 2.049 360 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 360 E C 2.350 178.672 176.600 -0.463 0.000 1.007 360 E CA 1.469 57.687 56.400 -0.302 0.000 0.809 360 E CB -0.532 29.038 29.700 -0.216 0.000 0.749 360 E HN 0.807 nan 8.360 nan 0.000 0.450 361 A N 1.323 124.032 122.820 -0.185 0.000 1.908 361 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 361 A C 1.945 179.542 177.584 0.021 0.000 1.181 361 A CA 1.731 53.737 52.037 -0.052 0.000 0.627 361 A CB -0.509 18.489 19.000 -0.003 0.000 0.818 361 A HN 0.204 nan 8.150 nan 0.000 0.445 362 E N -0.397 119.816 120.200 0.022 0.000 2.051 362 E HA -0.127 4.222 4.350 -0.000 0.000 0.192 362 E C 2.371 179.103 176.600 0.221 0.000 0.991 362 E CA 1.001 57.461 56.400 0.100 0.000 0.799 362 E CB -0.314 29.431 29.700 0.076 0.000 0.748 362 E HN 0.620 nan 8.360 nan 0.000 0.449 363 A N 0.945 123.861 122.820 0.160 0.000 1.883 363 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 363 A C 1.749 179.396 177.584 0.106 0.000 1.186 363 A CA 1.786 53.848 52.037 0.043 0.000 0.624 363 A CB -0.968 17.934 19.000 -0.164 0.000 0.822 363 A HN 0.351 nan 8.150 nan 0.000 0.444 364 H N -2.611 116.503 119.070 0.075 0.000 2.357 364 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 364 H C 2.196 177.571 175.328 0.078 0.000 1.082 364 H CA 0.995 57.074 56.048 0.052 0.000 1.342 364 H CB -0.124 29.664 29.762 0.042 0.000 1.389 364 H HN 0.649 nan 8.280 nan 0.000 0.511 365 H N 1.164 120.326 119.070 0.153 0.000 2.456 365 H HA -0.106 4.450 4.556 -0.000 0.000 0.296 365 H C 0.550 175.930 175.328 0.087 0.000 1.079 365 H CA 1.211 57.317 56.048 0.097 0.000 1.322 365 H CB 0.039 29.845 29.762 0.073 0.000 1.388 365 H HN 0.409 nan 8.280 nan 0.000 0.538 366 D N -0.433 120.135 120.400 0.279 0.000 2.336 366 D HA 0.119 4.759 4.640 -0.000 0.000 0.228 366 D C 0.988 177.349 176.300 0.101 0.000 1.120 366 D CA 0.716 54.842 54.000 0.210 0.000 0.839 366 D CB -0.069 40.886 40.800 0.257 0.000 0.932 366 D HN 0.572 nan 8.370 nan 0.000 0.509 367 G N 1.567 110.411 108.800 0.074 0.000 2.221 367 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.265 367 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.265 367 G C 0.211 175.126 174.900 0.025 0.000 1.041 367 G CA -0.140 44.980 45.100 0.034 0.000 0.807 367 G HN 0.383 nan 8.290 nan 0.000 0.502 368 I N -0.027 120.567 120.570 0.040 0.000 2.377 368 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 368 I C 0.483 176.638 176.117 0.064 0.000 0.987 368 I CA -0.744 60.553 61.300 -0.006 0.000 1.185 368 I CB 1.783 39.706 38.000 -0.128 0.000 1.341 368 I HN 0.181 nan 8.210 nan 0.000 0.455 369 E N 5.145 125.358 120.200 0.022 0.000 2.229 369 E HA 0.334 4.684 4.350 -0.000 0.000 0.283 369 E C -0.598 176.028 176.600 0.042 0.000 1.030 369 E CA -0.269 56.153 56.400 0.036 0.000 0.836 369 E CB 1.010 30.710 29.700 -0.001 0.000 1.068 369 E HN 0.727 nan 8.360 nan 0.000 0.401 370 T N 0.786 115.409 114.554 0.114 0.000 2.831 370 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 370 T C -0.894 173.858 174.700 0.088 0.000 1.070 370 T CA -0.980 61.160 62.100 0.066 0.000 1.010 370 T CB 1.881 70.778 68.868 0.048 0.000 1.264 370 T HN 0.335 nan 8.240 nan 0.000 0.532 371 D N -0.742 119.692 120.400 0.058 0.000 2.596 371 D HA 0.684 5.324 4.640 -0.000 0.000 0.234 371 D C -1.180 175.257 176.300 0.229 0.000 1.181 371 D CA -0.197 53.881 54.000 0.130 0.000 0.856 371 D CB 2.458 43.333 40.800 0.125 0.000 1.498 371 D HN 0.950 nan 8.370 nan 0.000 0.446 372 S N 1.406 117.253 115.700 0.245 0.000 2.607 372 S HA 0.846 5.316 4.470 -0.000 0.000 0.273 372 S C -1.276 173.292 174.600 -0.054 0.000 1.148 372 S CA -1.021 57.318 58.200 0.231 0.000 0.833 372 S CB 2.234 65.493 63.200 0.098 0.000 1.130 372 S HN 0.361 nan 8.310 nan 0.000 0.470 373 R N 0.713 121.117 120.500 -0.159 0.000 2.564 373 R HA 0.606 4.946 4.340 -0.000 0.000 0.284 373 R C -1.407 174.809 176.300 -0.140 0.000 1.031 373 R CA -0.449 55.431 56.100 -0.366 0.000 0.904 373 R CB 1.858 31.639 30.300 -0.864 0.000 1.199 373 R HN 0.843 nan 8.270 nan 0.000 0.443 374 T N 3.337 117.818 114.554 -0.122 0.000 2.809 374 T HA 0.305 4.655 4.350 -0.000 0.000 0.296 374 T C -0.439 174.241 174.700 -0.033 0.000 1.015 374 T CA -0.502 61.564 62.100 -0.057 0.000 0.954 374 T CB 0.848 69.628 68.868 -0.148 0.000 0.950 374 T HN 0.216 nan 8.240 nan 0.000 0.450 375 L N 5.607 126.849 121.223 0.031 0.000 2.259 375 L HA 0.419 4.759 4.340 -0.000 0.000 0.288 375 L C 0.815 177.735 176.870 0.084 0.000 1.051 375 L CA -0.209 54.645 54.840 0.023 0.000 0.824 375 L CB 0.361 42.421 42.059 0.002 0.000 1.206 375 L HN 0.712 nan 8.230 nan 0.000 0.429 376 T N 1.472 116.064 114.554 0.063 0.000 2.926 376 T HA 0.116 4.466 4.350 -0.000 0.000 0.307 376 T C 1.259 175.991 174.700 0.054 0.000 1.059 376 T CA -0.614 61.543 62.100 0.095 0.000 1.122 376 T CB 0.774 69.674 68.868 0.054 0.000 0.972 376 T HN 0.476 nan 8.240 nan 0.000 0.545 377 L N 1.880 123.135 121.223 0.053 0.000 2.450 377 L HA 0.038 4.378 4.340 -0.000 0.000 0.224 377 L C 1.866 178.733 176.870 -0.005 0.000 1.149 377 L CA 1.380 56.227 54.840 0.013 0.000 0.816 377 L CB -1.011 41.051 42.059 0.005 0.000 0.932 377 L HN 0.856 nan 8.230 nan 0.000 0.449 378 D N -2.630 117.771 120.400 0.001 0.000 2.378 378 D HA -0.102 4.538 4.640 -0.000 0.000 0.227 378 D C 1.108 177.394 176.300 -0.024 0.000 1.012 378 D CA 0.410 54.400 54.000 -0.017 0.000 0.905 378 D CB -0.314 40.481 40.800 -0.008 0.000 0.895 378 D HN 0.243 nan 8.370 nan 0.000 0.532 379 N N 0.007 118.697 118.700 -0.017 0.000 2.187 379 N HA 0.089 4.829 4.740 -0.000 0.000 0.212 379 N C -0.796 174.701 175.510 -0.021 0.000 1.152 379 N CA 0.002 53.041 53.050 -0.018 0.000 0.872 379 N CB 1.841 40.319 38.487 -0.016 0.000 1.025 379 N HN 0.074 nan 8.380 nan 0.000 0.514 380 V N 2.386 122.282 119.914 -0.031 0.000 2.357 380 V HA 0.224 4.344 4.120 -0.000 0.000 0.284 380 V C -1.474 174.579 176.094 -0.067 0.000 1.018 380 V CA -1.465 60.811 62.300 -0.041 0.000 0.841 380 V CB 2.200 33.998 31.823 -0.041 0.000 0.991 380 V HN -0.130 nan 8.190 nan 0.000 0.437 381 P HA -0.231 nan 4.420 nan 0.000 0.217 381 P C 1.753 178.941 177.300 -0.187 0.000 1.158 381 P CA 1.248 64.259 63.100 -0.147 0.000 0.887 381 P CB 0.227 31.773 31.700 -0.257 0.000 0.792 382 R N 0.023 120.420 120.500 -0.173 0.000 2.091 382 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 382 R C 2.079 178.333 176.300 -0.077 0.000 1.136 382 R CA 2.045 58.070 56.100 -0.126 0.000 0.959 382 R CB -1.449 28.797 30.300 -0.090 0.000 0.856 382 R HN 0.082 nan 8.270 nan 0.000 0.437 383 A N 0.339 123.118 122.820 -0.069 0.000 1.930 383 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 383 A C 2.247 179.772 177.584 -0.098 0.000 1.175 383 A CA 1.435 53.443 52.037 -0.048 0.000 0.627 383 A CB -0.543 18.436 19.000 -0.036 0.000 0.815 383 A HN 0.362 nan 8.150 nan 0.000 0.443 384 L N -0.901 120.231 121.223 -0.152 0.000 2.093 384 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 384 L C 3.004 179.603 176.870 -0.452 0.000 1.085 384 L CA 0.982 55.657 54.840 -0.275 0.000 0.755 384 L CB -0.491 41.441 42.059 -0.212 0.000 0.904 384 L HN 0.419 nan 8.230 nan 0.000 0.435 385 A N -0.100 122.567 122.820 -0.254 0.000 2.015 385 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 385 A C 1.773 179.390 177.584 0.056 0.000 1.163 385 A CA 1.382 53.326 52.037 -0.154 0.000 0.646 385 A CB -0.353 18.612 19.000 -0.057 0.000 0.806 385 A HN 0.416 nan 8.150 nan 0.000 0.448 386 N N -1.441 117.305 118.700 0.076 0.000 2.336 386 N HA 0.134 4.874 4.740 -0.000 0.000 0.189 386 N C -0.501 175.245 175.510 0.392 0.000 1.113 386 N CA 0.000 53.251 53.050 0.334 0.000 0.858 386 N CB -0.280 38.334 38.487 0.211 0.000 0.970 386 N HN 0.326 nan 8.380 nan 0.000 0.471 387 F N 0.338 120.295 119.950 0.012 0.000 3.067 387 F HA -0.262 4.265 4.527 -0.000 0.000 0.279 387 F C -0.145 175.640 175.800 -0.025 0.000 0.945 387 F CA 0.290 58.241 58.000 -0.081 0.000 0.948 387 F CB -1.583 37.242 39.000 -0.292 0.000 0.898 387 F HN -0.022 nan 8.300 nan 0.000 0.746 388 D N -0.156 120.304 120.400 0.099 0.000 2.375 388 D HA 0.355 4.995 4.640 -0.000 0.000 0.241 388 D C 0.533 176.862 176.300 0.047 0.000 1.361 388 D CA 0.232 54.289 54.000 0.095 0.000 0.995 388 D CB 0.818 41.696 40.800 0.130 0.000 1.312 388 D HN 0.077 nan 8.370 nan 0.000 0.576 389 T N 0.309 114.885 114.554 0.036 0.000 3.176 389 T HA 0.173 4.523 4.350 -0.000 0.000 0.263 389 T C 0.817 175.539 174.700 0.038 0.000 1.021 389 T CA -0.681 61.431 62.100 0.020 0.000 0.905 389 T CB -0.210 68.660 68.868 0.002 0.000 1.057 389 T HN 0.369 nan 8.240 nan 0.000 0.558 390 R N 1.067 121.598 120.500 0.052 0.000 2.491 390 R HA 0.594 4.934 4.340 -0.000 0.000 0.283 390 R C 0.584 176.914 176.300 0.050 0.000 1.072 390 R CA 0.074 56.212 56.100 0.064 0.000 1.048 390 R CB 0.016 30.361 30.300 0.075 0.000 0.983 390 R HN 0.373 nan 8.270 nan 0.000 0.450 391 G N 1.709 110.559 108.800 0.082 0.000 2.384 391 G HA2 0.160 4.120 3.960 -0.000 0.000 0.668 391 G HA3 0.160 4.120 3.960 -0.000 0.000 0.668 391 G C -1.036 173.948 174.900 0.140 0.000 1.280 391 G CA -0.479 44.646 45.100 0.042 0.000 0.992 391 G HN 0.942 nan 8.290 nan 0.000 0.512 392 F N -2.370 117.562 119.950 -0.030 0.000 2.807 392 F HA 0.839 5.366 4.527 -0.000 0.000 0.316 392 F C -1.270 174.506 175.800 -0.039 0.000 1.162 392 F CA -1.689 56.290 58.000 -0.035 0.000 0.910 392 F CB 1.086 40.065 39.000 -0.036 0.000 1.314 392 F HN 0.618 nan 8.300 nan 0.000 0.454 393 I N 2.322 122.989 120.570 0.162 0.000 2.468 393 I HA 0.380 4.550 4.170 -0.000 0.000 0.285 393 I C -1.081 175.187 176.117 0.251 0.000 1.039 393 I CA -0.606 60.736 61.300 0.070 0.000 1.074 393 I CB 2.021 40.024 38.000 0.005 0.000 1.228 393 I HN 0.659 nan 8.210 nan 0.000 0.436 394 K N 6.585 127.173 120.400 0.313 0.000 2.244 394 K HA 0.683 5.003 4.320 -0.000 0.000 0.260 394 K C -1.659 175.037 176.600 0.160 0.000 0.951 394 K CA -0.606 55.825 56.287 0.240 0.000 0.826 394 K CB 1.334 34.000 32.500 0.277 0.000 1.108 394 K HN 0.365 nan 8.250 nan 0.000 0.433 395 L N 4.045 125.367 121.223 0.166 0.000 2.346 395 L HA 0.463 4.803 4.340 -0.000 0.000 0.276 395 L C -0.976 176.034 176.870 0.234 0.000 1.006 395 L CA -0.741 54.222 54.840 0.203 0.000 0.817 395 L CB 1.998 44.243 42.059 0.309 0.000 1.272 395 L HN 0.344 nan 8.230 nan 0.000 0.421 396 V N 4.334 124.322 119.914 0.123 0.000 2.487 396 V HA 0.622 4.742 4.120 -0.000 0.000 0.298 396 V C -0.134 175.937 176.094 -0.038 0.000 1.028 396 V CA -0.622 61.720 62.300 0.069 0.000 0.860 396 V CB 1.743 33.588 31.823 0.036 0.000 0.991 396 V HN 0.681 nan 8.190 nan 0.000 0.427 397 I N -0.067 120.431 120.570 -0.121 0.000 2.892 397 I HA 0.696 4.866 4.170 -0.000 0.000 0.306 397 I C -0.273 175.736 176.117 -0.180 0.000 1.078 397 I CA -0.800 60.358 61.300 -0.237 0.000 1.032 397 I CB 2.208 39.891 38.000 -0.529 0.000 1.229 397 I HN 0.481 nan 8.210 nan 0.000 0.435 398 E N 3.597 123.700 120.200 -0.161 0.000 2.217 398 E HA 0.000 4.350 4.350 -0.000 0.000 0.279 398 E C 0.610 177.151 176.600 -0.098 0.000 1.068 398 E CA 0.133 56.465 56.400 -0.114 0.000 0.882 398 E CB 0.989 30.633 29.700 -0.094 0.000 1.039 398 E HN 0.728 nan 8.360 nan 0.000 0.418 399 E N 4.052 124.213 120.200 -0.066 0.000 2.086 399 E HA -0.205 4.145 4.350 -0.000 0.000 0.205 399 E C 1.518 178.160 176.600 0.069 0.000 1.027 399 E CA 1.749 58.130 56.400 -0.031 0.000 0.830 399 E CB -0.447 29.257 29.700 0.007 0.000 0.751 399 E HN 0.794 nan 8.360 nan 0.000 0.456 400 G N -0.002 108.827 108.800 0.049 0.000 2.480 400 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 400 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 400 G C 1.692 176.648 174.900 0.093 0.000 1.200 400 G CA 2.056 47.194 45.100 0.064 0.000 0.782 400 G HN 0.463 nan 8.290 nan 0.000 0.554 401 S N -1.866 113.875 115.700 0.069 0.000 2.524 401 S HA 0.108 4.578 4.470 -0.000 0.000 0.216 401 S C 1.003 175.680 174.600 0.130 0.000 0.987 401 S CA 0.770 59.005 58.200 0.058 0.000 0.909 401 S CB -0.334 62.875 63.200 0.016 0.000 0.781 401 S HN 0.621 nan 8.310 nan 0.000 0.521 402 H N 0.467 119.478 119.070 -0.098 0.000 2.992 402 H HA -0.119 4.437 4.556 -0.000 0.000 0.266 402 H C 0.352 175.581 175.328 -0.166 0.000 1.200 402 H CA 0.659 56.611 56.048 -0.160 0.000 1.135 402 H CB -1.038 28.637 29.762 -0.145 0.000 1.282 402 H HN 0.527 nan 8.280 nan 0.000 0.351 403 R N 1.335 121.809 120.500 -0.044 0.000 2.438 403 R HA 0.236 4.576 4.340 -0.000 0.000 0.287 403 R C 0.076 176.316 176.300 -0.100 0.000 1.077 403 R CA -0.620 55.447 56.100 -0.054 0.000 1.034 403 R CB 0.489 30.770 30.300 -0.033 0.000 0.993 403 R HN 0.113 nan 8.270 nan 0.000 0.459 404 L N 7.039 128.212 121.223 -0.083 0.000 2.410 404 L HA 0.124 4.464 4.340 -0.000 0.000 0.273 404 L C 0.580 177.433 176.870 -0.028 0.000 1.144 404 L CA 0.650 55.444 54.840 -0.077 0.000 0.863 404 L CB 0.753 42.789 42.059 -0.038 0.000 1.140 404 L HN 0.803 nan 8.230 nan 0.000 0.463 405 I N 1.511 122.071 120.570 -0.018 0.000 4.240 405 I HA 0.652 4.822 4.170 -0.000 0.000 0.331 405 I C 0.501 176.700 176.117 0.136 0.000 1.381 405 I CA 0.022 61.352 61.300 0.050 0.000 1.136 405 I CB 0.412 38.391 38.000 -0.035 0.000 1.137 405 I HN 0.616 nan 8.210 nan 0.000 0.411 406 G N 0.733 109.582 108.800 0.081 0.000 2.655 406 G HA2 0.576 4.536 3.960 -0.000 0.000 0.296 406 G HA3 0.576 4.536 3.960 -0.000 0.000 0.296 406 G C -1.855 173.083 174.900 0.064 0.000 1.485 406 G CA -0.422 44.732 45.100 0.091 0.000 0.869 406 G HN -0.086 nan 8.290 nan 0.000 0.540 407 V N 0.910 120.853 119.914 0.048 0.000 2.733 407 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 407 V C -0.992 175.117 176.094 0.025 0.000 1.084 407 V CA -0.780 61.548 62.300 0.045 0.000 0.905 407 V CB 1.999 33.839 31.823 0.029 0.000 1.010 407 V HN 0.808 nan 8.190 nan 0.000 0.424 408 Q N 2.648 122.483 119.800 0.058 0.000 2.337 408 Q HA 0.885 5.225 4.340 -0.000 0.000 0.270 408 Q C -0.600 175.371 176.000 -0.048 0.000 1.043 408 Q CA -0.147 55.677 55.803 0.035 0.000 0.794 408 Q CB 2.419 31.241 28.738 0.140 0.000 1.281 408 Q HN 1.071 nan 8.270 nan 0.000 0.446 409 A N 1.438 124.096 122.820 -0.269 0.000 2.486 409 A HA 0.836 5.156 4.320 -0.000 0.000 0.300 409 A C -1.365 175.836 177.584 -0.639 0.000 1.048 409 A CA -0.668 51.046 52.037 -0.539 0.000 0.696 409 A CB 1.575 20.395 19.000 -0.300 0.000 1.278 409 A HN 0.445 nan 8.150 nan 0.000 0.405 410 V N 1.249 120.629 119.914 -0.891 0.000 2.419 410 V HA 0.794 4.914 4.120 -0.000 0.000 0.287 410 V C 0.094 175.966 176.094 -0.372 0.000 1.017 410 V CA 0.519 62.486 62.300 -0.556 0.000 0.844 410 V CB 0.664 32.181 31.823 -0.509 0.000 1.011 410 V HN 1.871 nan 8.190 nan 0.000 0.429 411 A N 6.359 129.042 122.820 -0.227 0.000 2.567 411 A HA 0.851 5.171 4.320 -0.000 0.000 0.291 411 A C -3.390 174.148 177.584 -0.076 0.000 1.048 411 A CA -1.151 50.809 52.037 -0.130 0.000 0.661 411 A CB 1.649 20.567 19.000 -0.137 0.000 1.288 411 A HN 0.493 nan 8.150 nan 0.000 0.424 412 P HA 0.335 nan 4.420 nan 0.000 0.268 412 P C -0.450 176.837 177.300 -0.021 0.000 1.205 412 P CA 0.949 64.054 63.100 0.007 0.000 0.771 412 P CB 0.410 32.139 31.700 0.049 0.000 0.858 413 E N 0.606 120.792 120.200 -0.023 0.000 3.286 413 E HA -0.280 4.070 4.350 -0.000 0.000 0.292 413 E C 1.142 177.702 176.600 -0.067 0.000 0.928 413 E CA 1.174 57.553 56.400 -0.035 0.000 0.982 413 E CB -2.285 27.403 29.700 -0.020 0.000 1.500 413 E HN 0.581 nan 8.360 nan 0.000 0.441 414 A N 0.489 123.248 122.820 -0.102 0.000 1.940 414 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 414 A C 2.435 179.930 177.584 -0.148 0.000 1.176 414 A CA 2.250 54.203 52.037 -0.140 0.000 0.631 414 A CB -0.842 18.042 19.000 -0.194 0.000 0.814 414 A HN 0.439 nan 8.150 nan 0.000 0.446 415 G N -0.820 107.877 108.800 -0.171 0.000 2.470 415 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 415 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 415 G C 1.346 176.175 174.900 -0.118 0.000 1.121 415 G CA 0.962 45.948 45.100 -0.190 0.000 0.766 415 G HN 0.530 nan 8.290 nan 0.000 0.553 416 E N 0.426 120.578 120.200 -0.079 0.000 2.075 416 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 416 E C 2.613 179.184 176.600 -0.049 0.000 0.969 416 E CA 0.744 57.112 56.400 -0.053 0.000 0.815 416 E CB -0.558 29.123 29.700 -0.032 0.000 0.776 416 E HN 0.545 nan 8.360 nan 0.000 0.457 417 L N -0.323 120.874 121.223 -0.043 0.000 2.201 417 L HA 0.049 4.389 4.340 -0.000 0.000 0.212 417 L C 2.211 179.065 176.870 -0.027 0.000 1.105 417 L CA 1.109 55.939 54.840 -0.017 0.000 0.775 417 L CB -0.667 41.387 42.059 -0.008 0.000 0.913 417 L HN -0.080 nan 8.230 nan 0.000 0.440 418 I N 0.008 120.539 120.570 -0.065 0.000 2.454 418 I HA -0.214 3.956 4.170 -0.000 0.000 0.254 418 I C 2.463 178.541 176.117 -0.065 0.000 1.156 418 I CA 1.222 62.478 61.300 -0.073 0.000 1.433 418 I CB -0.384 37.546 38.000 -0.116 0.000 1.082 418 I HN 0.495 nan 8.210 nan 0.000 0.432 419 Q N -0.398 119.360 119.800 -0.070 0.000 2.230 419 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 419 Q C 2.105 178.080 176.000 -0.041 0.000 0.963 419 Q CA 2.013 57.773 55.803 -0.070 0.000 0.866 419 Q CB -0.347 28.342 28.738 -0.081 0.000 0.931 419 Q HN 0.447 nan 8.270 nan 0.000 0.452 420 T N -0.167 114.376 114.554 -0.019 0.000 2.777 420 T HA -0.053 4.296 4.350 -0.000 0.000 0.266 420 T C 1.640 176.355 174.700 0.024 0.000 1.040 420 T CA 1.136 63.238 62.100 0.003 0.000 1.141 420 T CB -0.399 68.495 68.868 0.043 0.000 0.868 420 T HN 0.441 nan 8.240 nan 0.000 0.444 421 A N 1.509 124.345 122.820 0.026 0.000 1.877 421 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 421 A C 2.644 180.233 177.584 0.010 0.000 1.186 421 A CA 1.847 53.901 52.037 0.028 0.000 0.620 421 A CB -1.146 17.864 19.000 0.017 0.000 0.822 421 A HN 0.493 nan 8.150 nan 0.000 0.443 422 A N -0.658 122.155 122.820 -0.013 0.000 1.908 422 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 422 A C 2.126 179.703 177.584 -0.011 0.000 1.181 422 A CA 1.848 53.873 52.037 -0.020 0.000 0.627 422 A CB -0.613 18.360 19.000 -0.046 0.000 0.818 422 A HN 0.571 nan 8.150 nan 0.000 0.445 423 L N -0.412 120.802 121.223 -0.014 0.000 2.056 423 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 423 L C 2.763 179.633 176.870 0.000 0.000 1.078 423 L CA 2.000 56.833 54.840 -0.012 0.000 0.749 423 L CB -0.882 41.163 42.059 -0.022 0.000 0.901 423 L HN 0.367 nan 8.230 nan 0.000 0.433 424 A N -0.409 122.419 122.820 0.012 0.000 1.902 424 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 424 A C 2.280 179.875 177.584 0.018 0.000 1.181 424 A CA 2.109 54.160 52.037 0.023 0.000 0.623 424 A CB -0.812 18.215 19.000 0.045 0.000 0.818 424 A HN 0.476 nan 8.150 nan 0.000 0.443 425 I N -1.305 119.276 120.570 0.018 0.000 2.252 425 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 425 I C 2.672 178.801 176.117 0.020 0.000 1.102 425 I CA 1.608 62.921 61.300 0.022 0.000 1.385 425 I CB -0.259 37.759 38.000 0.030 0.000 1.064 425 I HN 0.281 nan 8.210 nan 0.000 0.414 426 R N 1.622 122.130 120.500 0.013 0.000 2.091 426 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 426 R C 1.546 177.852 176.300 0.010 0.000 1.136 426 R CA 1.571 57.677 56.100 0.011 0.000 0.959 426 R CB -0.360 29.941 30.300 0.002 0.000 0.856 426 R HN 0.306 nan 8.270 nan 0.000 0.437 427 N N 1.437 120.142 118.700 0.008 0.000 2.362 427 N HA 0.012 4.752 4.740 -0.000 0.000 0.204 427 N C -0.657 174.858 175.510 0.008 0.000 1.166 427 N CA 0.149 53.202 53.050 0.006 0.000 0.831 427 N CB 0.164 38.653 38.487 0.003 0.000 1.008 427 N HN 0.195 nan 8.380 nan 0.000 0.472 428 R N 0.133 120.639 120.500 0.011 0.000 3.109 428 R HA -0.185 4.155 4.340 -0.000 0.000 0.241 428 R C -0.324 175.979 176.300 0.006 0.000 0.882 428 R CA 0.589 56.695 56.100 0.009 0.000 0.604 428 R CB -1.888 28.417 30.300 0.009 0.000 1.040 428 R HN 0.325 nan 8.270 nan 0.000 0.480 429 M N 0.402 120.007 119.600 0.008 0.000 2.342 429 M HA 0.171 4.651 4.480 -0.000 0.000 0.332 429 M C 1.235 177.534 176.300 -0.000 0.000 1.166 429 M CA -0.230 55.076 55.300 0.010 0.000 1.086 429 M CB 1.553 34.166 32.600 0.022 0.000 1.541 429 M HN 0.262 nan 8.290 nan 0.000 0.462 430 T N -1.299 113.256 114.554 0.002 0.000 2.918 430 T HA 0.319 4.669 4.350 -0.000 0.000 0.283 430 T C 1.173 175.865 174.700 -0.013 0.000 1.001 430 T CA -0.959 61.136 62.100 -0.009 0.000 1.041 430 T CB 0.873 69.747 68.868 0.011 0.000 1.028 430 T HN 0.569 nan 8.240 nan 0.000 0.511 431 V N -0.303 119.574 119.914 -0.062 0.000 2.594 431 V HA -0.149 3.971 4.120 -0.000 0.000 0.253 431 V C 2.427 178.539 176.094 0.031 0.000 1.069 431 V CA 1.308 63.579 62.300 -0.049 0.000 1.082 431 V CB -1.527 30.176 31.823 -0.200 0.000 0.680 431 V HN 0.779 nan 8.190 nan 0.000 0.469 432 Q N 0.854 120.679 119.800 0.041 0.000 2.079 432 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 432 Q C 2.279 178.309 176.000 0.050 0.000 0.974 432 Q CA 2.099 57.935 55.803 0.054 0.000 0.840 432 Q CB -0.430 28.331 28.738 0.038 0.000 0.898 432 Q HN 0.787 nan 8.270 nan 0.000 0.430 433 E N -0.298 119.927 120.200 0.042 0.000 2.106 433 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 433 E C 1.685 178.333 176.600 0.079 0.000 0.984 433 E CA 0.733 57.162 56.400 0.048 0.000 0.806 433 E CB -0.078 29.642 29.700 0.033 0.000 0.750 433 E HN 0.159 nan 8.360 nan 0.000 0.458 434 L N 0.740 122.017 121.223 0.090 0.000 2.056 434 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 434 L C 2.136 179.124 176.870 0.195 0.000 1.078 434 L CA 1.850 56.783 54.840 0.156 0.000 0.749 434 L CB -0.568 41.569 42.059 0.131 0.000 0.901 434 L HN 0.023 nan 8.230 nan 0.000 0.433 435 A N -1.313 121.566 122.820 0.099 0.000 2.067 435 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 435 A C 1.926 179.567 177.584 0.095 0.000 1.158 435 A CA 1.675 53.742 52.037 0.049 0.000 0.661 435 A CB -0.776 18.247 19.000 0.038 0.000 0.801 435 A HN 0.527 nan 8.150 nan 0.000 0.452 436 D N -0.402 120.063 120.400 0.110 0.000 2.224 436 D HA -0.036 4.604 4.640 -0.000 0.000 0.205 436 D C 0.691 177.070 176.300 0.133 0.000 0.965 436 D CA 0.476 54.535 54.000 0.097 0.000 0.852 436 D CB 0.066 40.907 40.800 0.069 0.000 0.947 436 D HN 0.336 nan 8.370 nan 0.000 0.494 437 Q N 0.334 120.258 119.800 0.207 0.000 2.421 437 Q HA 0.178 4.518 4.340 -0.000 0.000 0.255 437 Q C -0.004 176.172 176.000 0.293 0.000 1.013 437 Q CA 0.032 55.953 55.803 0.197 0.000 0.895 437 Q CB 0.864 29.697 28.738 0.158 0.000 1.271 437 Q HN 0.281 nan 8.270 nan 0.000 0.460 438 L N 2.405 123.711 121.223 0.138 0.000 2.319 438 L HA 0.339 4.679 4.340 -0.000 0.000 0.280 438 L C -0.204 176.743 176.870 0.129 0.000 1.099 438 L CA 0.012 54.948 54.840 0.161 0.000 0.828 438 L CB 0.159 42.256 42.059 0.063 0.000 1.150 438 L HN 0.420 nan 8.230 nan 0.000 0.442 439 F N 2.678 122.649 119.950 0.035 0.000 2.538 439 F HA 0.501 5.028 4.527 -0.000 0.000 0.325 439 F C -1.792 174.043 175.800 0.058 0.000 1.066 439 F CA -2.227 55.796 58.000 0.040 0.000 0.946 439 F CB 1.422 40.448 39.000 0.043 0.000 1.199 439 F HN 0.311 nan 8.300 nan 0.000 0.473 440 P HA 0.059 nan 4.420 nan 0.000 0.276 440 P C -1.296 176.134 177.300 0.217 0.000 1.230 440 P CA -0.174 63.025 63.100 0.164 0.000 0.776 440 P CB 0.310 32.066 31.700 0.093 0.000 0.888 441 Y N 3.661 124.003 120.300 0.071 0.000 2.397 441 Y HA 0.166 4.716 4.550 -0.000 0.000 0.335 441 Y C 1.059 176.984 175.900 0.043 0.000 1.213 441 Y CA -0.325 57.806 58.100 0.052 0.000 1.391 441 Y CB 0.331 38.813 38.460 0.037 0.000 1.293 441 Y HN 0.296 nan 8.280 nan 0.000 0.557 442 L N 3.719 124.606 121.223 -0.561 0.000 3.730 442 L HA -0.240 4.100 4.340 -0.000 0.000 0.410 442 L C -0.324 176.446 176.870 -0.166 0.000 1.234 442 L CA 0.700 55.265 54.840 -0.457 0.000 0.911 442 L CB -2.343 39.431 42.059 -0.475 0.000 1.942 442 L HN 0.824 nan 8.230 nan 0.000 0.860 443 T N -4.991 109.514 114.554 -0.080 0.000 2.924 443 T HA 0.608 4.958 4.350 -0.000 0.000 0.291 443 T C 0.513 175.205 174.700 -0.012 0.000 1.045 443 T CA -0.636 61.454 62.100 -0.018 0.000 1.015 443 T CB 2.239 71.128 68.868 0.036 0.000 1.103 443 T HN 0.057 nan 8.240 nan 0.000 0.496 444 M N 1.457 121.055 119.600 -0.004 0.000 2.200 444 M HA 0.093 4.572 4.480 -0.000 0.000 0.265 444 M C 2.035 178.344 176.300 0.015 0.000 1.066 444 M CA 1.118 56.412 55.300 -0.009 0.000 1.127 444 M CB -0.848 31.742 32.600 -0.017 0.000 1.379 444 M HN 0.660 nan 8.290 nan 0.000 0.420 445 V N 0.140 120.089 119.914 0.058 0.000 2.720 445 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 445 V C 2.057 178.268 176.094 0.195 0.000 1.082 445 V CA 2.183 64.562 62.300 0.131 0.000 1.101 445 V CB -0.618 31.300 31.823 0.159 0.000 0.693 445 V HN 0.666 nan 8.190 nan 0.000 0.479 446 E N -0.108 120.180 120.200 0.146 0.000 2.204 446 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 446 E C 2.100 178.621 176.600 -0.132 0.000 0.990 446 E CA 1.098 57.523 56.400 0.042 0.000 0.821 446 E CB -0.488 29.253 29.700 0.069 0.000 0.750 446 E HN 0.692 nan 8.360 nan 0.000 0.477 447 G N 1.253 110.015 108.800 -0.064 0.000 2.450 447 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 447 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 447 G C 1.538 176.375 174.900 -0.105 0.000 1.130 447 G CA 0.521 45.576 45.100 -0.074 0.000 0.760 447 G HN 0.214 nan 8.290 nan 0.000 0.557 448 L N -0.023 121.131 121.223 -0.115 0.000 2.046 448 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 448 L C 2.838 179.560 176.870 -0.246 0.000 1.077 448 L CA 1.612 56.390 54.840 -0.104 0.000 0.747 448 L CB -0.325 41.746 42.059 0.021 0.000 0.896 448 L HN 0.246 nan 8.230 nan 0.000 0.432 449 K N 0.372 120.399 120.400 -0.622 0.000 2.025 449 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 449 K C 2.159 178.592 176.600 -0.279 0.000 1.049 449 K CA 1.220 57.102 56.287 -0.675 0.000 0.933 449 K CB 0.007 31.778 32.500 -1.215 0.000 0.714 449 K HN 0.067 nan 8.250 nan 0.000 0.438 450 L N 1.225 122.316 121.223 -0.219 0.000 2.042 450 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 450 L C 2.528 179.359 176.870 -0.065 0.000 1.076 450 L CA 2.003 56.780 54.840 -0.104 0.000 0.749 450 L CB -0.929 41.085 42.059 -0.074 0.000 0.893 450 L HN 0.261 nan 8.230 nan 0.000 0.432 451 A N -0.743 122.044 122.820 -0.056 0.000 1.898 451 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 451 A C 2.506 180.122 177.584 0.052 0.000 1.181 451 A CA 1.542 53.566 52.037 -0.020 0.000 0.620 451 A CB -0.895 18.113 19.000 0.014 0.000 0.819 451 A HN 0.364 nan 8.150 nan 0.000 0.442 452 A N -0.518 122.358 122.820 0.094 0.000 1.940 452 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 452 A C 2.066 179.785 177.584 0.224 0.000 1.176 452 A CA 1.668 53.839 52.037 0.223 0.000 0.631 452 A CB -0.569 18.481 19.000 0.085 0.000 0.814 452 A HN 0.667 nan 8.150 nan 0.000 0.446 453 Q N -0.602 119.246 119.800 0.079 0.000 2.291 453 Q HA -0.095 4.244 4.340 -0.000 0.000 0.205 453 Q C 1.850 177.880 176.000 0.050 0.000 0.970 453 Q CA 1.499 57.338 55.803 0.061 0.000 0.876 453 Q CB -0.362 28.380 28.738 0.007 0.000 0.935 453 Q HN 0.871 nan 8.270 nan 0.000 0.455 454 T N -2.673 111.874 114.554 -0.011 0.000 3.160 454 T HA 0.015 4.365 4.350 -0.000 0.000 0.257 454 T C 0.955 175.561 174.700 -0.156 0.000 1.147 454 T CA 0.173 62.211 62.100 -0.104 0.000 1.064 454 T CB -0.185 68.571 68.868 -0.187 0.000 0.949 454 T HN 0.071 nan 8.240 nan 0.000 0.526 455 F N 1.643 121.600 119.950 0.011 0.000 2.789 455 F HA 0.363 4.890 4.527 -0.000 0.000 0.300 455 F C 1.315 177.154 175.800 0.065 0.000 1.132 455 F CA -0.473 57.543 58.000 0.027 0.000 1.404 455 F CB -0.078 38.938 39.000 0.026 0.000 1.114 455 F HN 0.168 nan 8.300 nan 0.000 0.584 456 N N 0.000 118.812 118.700 0.187 0.000 1.763 456 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 456 N CA 0.000 53.128 53.050 0.130 0.000 0.885 456 N CB 0.000 38.546 38.487 0.099 0.000 1.341 456 N HN 0.000 nan 8.380 nan 0.000 0.667