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 3if5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRHPIPDYLA SLVTELGAVN PGETAQYIPV LAEADPDRFG IALATPTGRL DATA SEQUENCE HCAGDADVEF TIQSASKPFT YAAALVDRGF AAVDRQVGLN PSGEAFNELS DATA SEQUENCE LEAESHRPDN AMINAGALAV HQLLVGPEAS RKERLDRAVE IMSLLAGRRL DATA SEQUENCE SVDWETYESE MAVSDRNLSL AHMLRSYGVL QDSAEEIVAG YVAQCAVLVT DATA SEQUENCE VKDLAVMGAC LATGGIHPMT GERMLPSIVA RRVVSVMTSS GMYDAAGQWL DATA SEQUENCE ADVGIPAKSG VAGGVLGALP GRVGIGVFSP RLDEVGNSAR GVLACRRLSE DATA SEQUENCE DFRLHLMDGD SLGGTAVRFV EREGDRVFLH LQGVIRFGGA EAVLDALTDL DATA SEQUENCE RTGXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXIRTVVLN LARVDRIDDV GRRLIAEGVR RLQADGVRVE VEDPERIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 R N 0.077 120.587 120.500 0.016 0.000 2.598 2 R HA 0.547 4.886 4.340 -0.001 0.000 0.279 2 R C -0.794 175.531 176.300 0.041 0.000 0.984 2 R CA -0.800 55.327 56.100 0.046 0.000 0.999 2 R CB 1.006 31.334 30.300 0.047 0.000 1.114 2 R HN 0.761 nan 8.270 nan 0.000 0.493 3 H N 3.610 122.683 119.070 0.005 0.000 2.848 3 H HA 0.067 4.622 4.556 -0.001 0.000 0.317 3 H C -1.491 173.808 175.328 -0.049 0.000 1.046 3 H CA -1.618 54.413 56.048 -0.028 0.000 1.470 3 H CB 1.604 31.352 29.762 -0.024 0.000 1.483 3 H HN 0.542 nan 8.280 nan 0.000 0.548 4 P HA -0.113 nan 4.420 nan 0.000 0.221 4 P C 1.558 178.932 177.300 0.125 0.000 1.150 4 P CA 0.479 63.598 63.100 0.031 0.000 0.800 4 P CB 0.555 32.232 31.700 -0.038 0.000 0.787 5 I N 2.209 122.869 120.570 0.150 0.000 2.142 5 I HA -0.137 4.032 4.170 -0.001 0.000 0.240 5 I C -0.467 175.715 176.117 0.109 0.000 1.078 5 I CA 1.797 63.127 61.300 0.051 0.000 1.343 5 I CB -2.336 35.470 38.000 -0.323 0.000 1.046 5 I HN 0.046 nan 8.210 nan 0.000 0.405 6 P HA -0.158 nan 4.420 nan 0.000 0.221 6 P C 0.862 178.219 177.300 0.095 0.000 1.145 6 P CA 1.541 64.691 63.100 0.085 0.000 0.795 6 P CB -0.056 31.696 31.700 0.087 0.000 0.775 7 D N -1.344 119.122 120.400 0.109 0.000 2.162 7 D HA -0.133 4.506 4.640 -0.001 0.000 0.203 7 D C 1.979 178.340 176.300 0.102 0.000 0.967 7 D CA 0.805 54.858 54.000 0.088 0.000 0.840 7 D CB -0.760 40.090 40.800 0.083 0.000 0.972 7 D HN 0.207 nan 8.370 nan 0.000 0.482 8 Y N 1.968 122.315 120.300 0.079 0.000 2.181 8 Y HA -0.161 4.389 4.550 -0.001 0.000 0.288 8 Y C 2.149 178.090 175.900 0.067 0.000 1.146 8 Y CA 1.323 59.482 58.100 0.099 0.000 1.164 8 Y CB -0.462 38.138 38.460 0.232 0.000 0.982 8 Y HN -0.131 nan 8.280 nan 0.000 0.515 9 L N 0.110 121.358 121.223 0.041 0.000 2.042 9 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 9 L C 2.847 179.618 176.870 -0.166 0.000 1.076 9 L CA 1.205 55.997 54.840 -0.080 0.000 0.749 9 L CB -1.149 40.959 42.059 0.082 0.000 0.893 9 L HN 0.393 nan 8.230 nan 0.000 0.432 10 A N -0.505 122.261 122.820 -0.090 0.000 1.933 10 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 10 A C 2.520 180.035 177.584 -0.115 0.000 1.175 10 A CA 2.102 54.088 52.037 -0.085 0.000 0.628 10 A CB -0.528 18.453 19.000 -0.031 0.000 0.814 10 A HN 0.392 nan 8.150 nan 0.000 0.444 11 S N -0.251 115.358 115.700 -0.153 0.000 2.355 11 S HA -0.065 4.404 4.470 -0.001 0.000 0.222 11 S C 1.841 176.329 174.600 -0.186 0.000 1.031 11 S CA 1.210 59.318 58.200 -0.154 0.000 0.993 11 S CB -0.435 62.665 63.200 -0.168 0.000 0.859 11 S HN 0.513 nan 8.310 nan 0.000 0.453 12 L N 1.288 122.320 121.223 -0.317 0.000 2.042 12 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 12 L C 2.304 179.133 176.870 -0.068 0.000 1.076 12 L CA 1.099 55.800 54.840 -0.231 0.000 0.749 12 L CB -0.569 41.305 42.059 -0.308 0.000 0.893 12 L HN 0.221 nan 8.230 nan 0.000 0.432 13 V N -0.646 119.179 119.914 -0.147 0.000 2.332 13 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 13 V C 2.465 178.598 176.094 0.065 0.000 1.055 13 V CA 2.359 64.582 62.300 -0.128 0.000 1.038 13 V CB -0.681 30.994 31.823 -0.246 0.000 0.651 13 V HN 0.505 nan 8.190 nan 0.000 0.450 14 T N -0.986 113.570 114.554 0.003 0.000 2.812 14 T HA -0.151 4.198 4.350 -0.001 0.000 0.264 14 T C 1.817 176.534 174.700 0.028 0.000 1.042 14 T CA 1.491 63.602 62.100 0.019 0.000 1.140 14 T CB -0.024 68.839 68.868 -0.009 0.000 0.870 14 T HN 0.620 nan 8.240 nan 0.000 0.445 15 E N 0.927 121.133 120.200 0.011 0.000 2.006 15 E HA -0.049 4.300 4.350 -0.001 0.000 0.192 15 E C 2.116 178.736 176.600 0.033 0.000 0.993 15 E CA 0.817 57.222 56.400 0.008 0.000 0.808 15 E CB -0.161 29.527 29.700 -0.020 0.000 0.764 15 E HN 0.372 nan 8.360 nan 0.000 0.449 16 L N 0.108 121.378 121.223 0.078 0.000 2.201 16 L HA -0.035 4.305 4.340 -0.001 0.000 0.212 16 L C 2.396 179.288 176.870 0.036 0.000 1.105 16 L CA 0.881 55.766 54.840 0.076 0.000 0.775 16 L CB -0.373 41.787 42.059 0.168 0.000 0.913 16 L HN 0.279 nan 8.230 nan 0.000 0.440 17 G N -0.634 108.258 108.800 0.153 0.000 2.848 17 G HA2 0.053 4.013 3.960 -0.001 0.000 0.208 17 G HA3 0.053 4.013 3.960 -0.001 0.000 0.208 17 G C 1.622 176.537 174.900 0.024 0.000 1.152 17 G CA 0.549 45.714 45.100 0.108 0.000 0.789 17 G HN 0.411 nan 8.290 nan 0.000 0.531 18 A N -0.199 122.628 122.820 0.012 0.000 2.121 18 A HA 0.405 4.724 4.320 -0.001 0.000 0.218 18 A C 1.182 178.751 177.584 -0.025 0.000 1.154 18 A CA 1.329 53.364 52.037 -0.004 0.000 0.679 18 A CB -0.251 18.747 19.000 -0.003 0.000 0.795 18 A HN 0.865 nan 8.150 nan 0.000 0.458 19 V N -4.225 115.661 119.914 -0.047 0.000 3.102 19 V HA 0.740 4.860 4.120 -0.001 0.000 0.312 19 V C -0.769 175.264 176.094 -0.102 0.000 1.135 19 V CA -1.138 61.124 62.300 -0.063 0.000 1.022 19 V CB 2.000 33.788 31.823 -0.057 0.000 1.056 19 V HN 0.096 nan 8.190 nan 0.000 0.436 20 N N 2.304 120.944 118.700 -0.100 0.000 2.673 20 N HA 0.403 5.142 4.740 -0.001 0.000 0.265 20 N C -2.580 172.864 175.510 -0.110 0.000 1.709 20 N CA -0.807 52.164 53.050 -0.132 0.000 0.792 20 N CB 1.001 39.417 38.487 -0.119 0.000 1.286 20 N HN 0.827 nan 8.380 nan 0.000 0.506 21 P HA 0.414 nan 4.420 nan 0.000 0.273 21 P C 0.630 177.880 177.300 -0.083 0.000 1.250 21 P CA 0.518 63.570 63.100 -0.079 0.000 0.793 21 P CB 0.683 32.342 31.700 -0.068 0.000 1.011 22 G N 0.607 109.370 108.800 -0.062 0.000 2.660 22 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.215 22 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.215 22 G C -1.264 173.602 174.900 -0.056 0.000 1.345 22 G CA -0.445 44.620 45.100 -0.057 0.000 0.877 22 G HN 0.679 nan 8.290 nan 0.000 0.549 23 E N -0.916 119.253 120.200 -0.051 0.000 2.408 23 E HA 0.598 4.947 4.350 -0.001 0.000 0.275 23 E C 0.216 176.787 176.600 -0.048 0.000 0.935 23 E CA -0.381 55.991 56.400 -0.046 0.000 0.775 23 E CB 1.900 31.581 29.700 -0.032 0.000 1.277 23 E HN 0.900 nan 8.360 nan 0.000 0.455 24 T N -1.446 113.079 114.554 -0.049 0.000 2.828 24 T HA 0.483 4.833 4.350 -0.001 0.000 0.290 24 T C 0.472 175.151 174.700 -0.035 0.000 1.019 24 T CA -0.828 61.242 62.100 -0.049 0.000 1.031 24 T CB 0.938 69.774 68.868 -0.053 0.000 1.001 24 T HN 0.517 nan 8.240 nan 0.000 0.531 25 A N 1.981 124.782 122.820 -0.032 0.000 2.515 25 A HA 0.174 4.493 4.320 -0.001 0.000 0.263 25 A C 1.434 178.975 177.584 -0.071 0.000 1.096 25 A CA -0.498 51.532 52.037 -0.011 0.000 0.769 25 A CB -0.108 18.892 19.000 -0.000 0.000 1.040 25 A HN 0.818 nan 8.150 nan 0.000 0.505 26 Q N 2.079 121.876 119.800 -0.005 0.000 2.389 26 Q HA -0.108 4.231 4.340 -0.001 0.000 0.204 26 Q C 1.441 177.440 176.000 -0.001 0.000 0.944 26 Q CA 1.340 57.134 55.803 -0.016 0.000 0.908 26 Q CB -0.359 28.388 28.738 0.015 0.000 1.002 26 Q HN 1.111 nan 8.270 nan 0.000 0.493 27 Y N 1.127 121.424 120.300 -0.006 0.000 2.465 27 Y HA -0.010 4.540 4.550 -0.001 0.000 0.289 27 Y C 0.778 176.676 175.900 -0.004 0.000 1.150 27 Y CA 0.086 58.183 58.100 -0.005 0.000 1.293 27 Y CB -0.338 38.119 38.460 -0.005 0.000 0.977 27 Y HN 0.015 nan 8.280 nan 0.000 0.556 28 I N -3.618 116.697 120.570 -0.424 0.000 2.802 28 I HA 0.390 4.560 4.170 -0.001 0.000 0.298 28 I C -2.198 173.793 176.117 -0.209 0.000 1.176 28 I CA -2.675 58.452 61.300 -0.288 0.000 1.025 28 I CB 2.211 39.977 38.000 -0.390 0.000 1.243 28 I HN -0.417 nan 8.210 nan 0.000 0.424 29 P HA -0.194 nan 4.420 nan 0.000 0.215 29 P C 1.738 178.995 177.300 -0.072 0.000 1.157 29 P CA 1.363 64.422 63.100 -0.070 0.000 0.868 29 P CB 0.447 32.126 31.700 -0.035 0.000 0.788 30 V N -0.092 119.780 119.914 -0.070 0.000 2.380 30 V HA -0.215 3.905 4.120 -0.001 0.000 0.251 30 V C 2.527 178.586 176.094 -0.058 0.000 1.063 30 V CA 1.697 63.969 62.300 -0.046 0.000 1.055 30 V CB -1.029 30.775 31.823 -0.031 0.000 0.657 30 V HN -0.013 nan 8.190 nan 0.000 0.455 31 L N -0.773 120.375 121.223 -0.124 0.000 2.249 31 L HA 0.134 4.474 4.340 -0.001 0.000 0.207 31 L C 2.677 179.489 176.870 -0.096 0.000 1.090 31 L CA 1.065 55.834 54.840 -0.118 0.000 0.802 31 L CB -0.670 41.254 42.059 -0.225 0.000 0.947 31 L HN 0.387 nan 8.230 nan 0.000 0.453 32 A N 0.198 122.949 122.820 -0.114 0.000 1.898 32 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 32 A C 1.959 179.515 177.584 -0.047 0.000 1.181 32 A CA 1.343 53.334 52.037 -0.077 0.000 0.620 32 A CB -0.283 18.672 19.000 -0.075 0.000 0.819 32 A HN 0.421 nan 8.150 nan 0.000 0.442 33 E N 0.100 120.278 120.200 -0.038 0.000 2.489 33 E HA 0.318 4.668 4.350 -0.001 0.000 0.193 33 E C 0.671 177.266 176.600 -0.007 0.000 1.057 33 E CA -0.029 56.359 56.400 -0.020 0.000 0.866 33 E CB -0.069 29.623 29.700 -0.014 0.000 0.916 33 E HN 0.595 nan 8.360 nan 0.000 0.500 34 A N 2.141 124.958 122.820 -0.005 0.000 2.555 34 A HA -0.071 4.248 4.320 -0.001 0.000 0.233 34 A C 0.129 177.722 177.584 0.016 0.000 1.060 34 A CA -0.173 51.877 52.037 0.022 0.000 0.759 34 A CB 0.182 19.206 19.000 0.041 0.000 0.995 34 A HN 0.052 nan 8.150 nan 0.000 0.506 35 D N 2.292 122.714 120.400 0.037 0.000 2.382 35 D HA 0.152 4.791 4.640 -0.001 0.000 0.259 35 D C -1.103 175.195 176.300 -0.003 0.000 1.224 35 D CA -1.467 52.547 54.000 0.024 0.000 0.894 35 D CB 0.827 41.655 40.800 0.046 0.000 1.127 35 D HN 0.234 nan 8.370 nan 0.000 0.487 36 P HA -0.038 nan 4.420 nan 0.000 0.231 36 P C 0.187 177.432 177.300 -0.092 0.000 1.168 36 P CA 0.261 63.313 63.100 -0.081 0.000 0.779 36 P CB 0.366 32.023 31.700 -0.073 0.000 0.844 37 D N 0.877 121.249 120.400 -0.045 0.000 3.032 37 D HA 0.119 4.758 4.640 -0.001 0.000 0.241 37 D C -0.171 176.128 176.300 -0.001 0.000 1.196 37 D CA -0.017 53.967 54.000 -0.028 0.000 0.927 37 D CB -0.529 40.268 40.800 -0.005 0.000 1.129 37 D HN 0.078 nan 8.370 nan 0.000 0.458 38 R N 0.737 121.212 120.500 -0.042 0.000 2.628 38 R HA 0.534 4.874 4.340 -0.001 0.000 0.288 38 R C -1.379 174.906 176.300 -0.025 0.000 0.980 38 R CA -0.912 55.192 56.100 0.006 0.000 0.891 38 R CB 1.965 32.302 30.300 0.062 0.000 1.188 38 R HN 0.011 nan 8.270 nan 0.000 0.450 39 F N 1.013 120.900 119.950 -0.106 0.000 2.839 39 F HA 0.551 5.078 4.527 -0.001 0.000 0.344 39 F C -1.230 174.586 175.800 0.027 0.000 1.242 39 F CA -0.710 57.221 58.000 -0.115 0.000 1.091 39 F CB 1.763 40.701 39.000 -0.104 0.000 1.374 39 F HN 0.588 nan 8.300 nan 0.000 0.553 40 G N 5.680 114.511 108.800 0.052 0.000 2.563 40 G HA2 0.765 4.725 3.960 -0.001 0.000 0.302 40 G HA3 0.765 4.725 3.960 -0.001 0.000 0.302 40 G C -1.770 173.080 174.900 -0.083 0.000 1.301 40 G CA -0.825 44.240 45.100 -0.058 0.000 0.965 40 G HN 0.582 nan 8.290 nan 0.000 0.480 41 I N 0.058 120.567 120.570 -0.102 0.000 2.769 41 I HA 0.710 4.879 4.170 -0.001 0.000 0.298 41 I C -0.277 175.871 176.117 0.052 0.000 1.128 41 I CA -1.101 60.191 61.300 -0.013 0.000 1.031 41 I CB 2.522 40.477 38.000 -0.075 0.000 1.235 41 I HN 0.713 nan 8.210 nan 0.000 0.423 42 A N 6.339 129.218 122.820 0.099 0.000 2.488 42 A HA 0.830 5.150 4.320 -0.001 0.000 0.295 42 A C -1.525 176.125 177.584 0.110 0.000 1.045 42 A CA -0.437 51.658 52.037 0.096 0.000 0.703 42 A CB 1.542 20.591 19.000 0.080 0.000 1.271 42 A HN 0.625 nan 8.150 nan 0.000 0.400 43 L N 1.825 123.114 121.223 0.110 0.000 2.356 43 L HA 0.772 5.111 4.340 -0.001 0.000 0.277 43 L C 0.237 177.120 176.870 0.021 0.000 0.996 43 L CA -0.713 54.190 54.840 0.105 0.000 0.822 43 L CB 1.990 44.151 42.059 0.171 0.000 1.256 43 L HN 0.854 nan 8.230 nan 0.000 0.413 44 A N 1.708 124.529 122.820 0.003 0.000 2.318 44 A HA 0.719 5.038 4.320 -0.001 0.000 0.324 44 A C 0.127 177.682 177.584 -0.049 0.000 1.170 44 A CA -0.482 51.520 52.037 -0.058 0.000 0.810 44 A CB 1.253 20.225 19.000 -0.047 0.000 1.198 44 A HN 0.714 nan 8.150 nan 0.000 0.484 45 T N 0.222 114.723 114.554 -0.089 0.000 2.874 45 T HA 0.508 4.857 4.350 -0.001 0.000 0.281 45 T C -2.027 172.650 174.700 -0.038 0.000 0.994 45 T CA -1.559 60.511 62.100 -0.050 0.000 1.015 45 T CB 1.050 69.883 68.868 -0.058 0.000 1.028 45 T HN 0.253 nan 8.240 nan 0.000 0.523 46 P HA 0.001 nan 4.420 nan 0.000 0.221 46 P C 1.427 178.723 177.300 -0.007 0.000 1.150 46 P CA 0.909 64.003 63.100 -0.010 0.000 0.800 46 P CB -0.206 31.497 31.700 0.005 0.000 0.787 47 T N -5.281 109.268 114.554 -0.008 0.000 3.148 47 T HA 0.326 4.676 4.350 -0.001 0.000 0.253 47 T C 1.466 176.161 174.700 -0.009 0.000 1.134 47 T CA 0.513 62.612 62.100 -0.001 0.000 1.051 47 T CB -0.662 68.209 68.868 0.005 0.000 0.959 47 T HN 0.231 nan 8.240 nan 0.000 0.525 48 G N 1.368 110.152 108.800 -0.027 0.000 2.163 48 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.213 48 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.213 48 G C 0.093 174.948 174.900 -0.075 0.000 0.991 48 G CA -0.577 44.506 45.100 -0.029 0.000 0.653 48 G HN 0.621 nan 8.290 nan 0.000 0.518 49 R N -0.692 119.729 120.500 -0.132 0.000 2.500 49 R HA 0.722 5.061 4.340 -0.001 0.000 0.275 49 R C -0.588 175.499 176.300 -0.356 0.000 1.051 49 R CA -0.553 55.392 56.100 -0.257 0.000 1.088 49 R CB 1.219 31.315 30.300 -0.340 0.000 1.063 49 R HN 0.269 nan 8.270 nan 0.000 0.511 50 L N 2.567 123.537 121.223 -0.422 0.000 2.457 50 L HA 0.298 4.637 4.340 -0.001 0.000 0.266 50 L C -1.426 175.257 176.870 -0.313 0.000 0.979 50 L CA -0.363 54.288 54.840 -0.316 0.000 0.857 50 L CB 1.084 43.062 42.059 -0.135 0.000 1.213 50 L HN 0.586 nan 8.230 nan 0.000 0.418 51 H N 4.038 123.079 119.070 -0.048 0.000 2.467 51 H HA 0.760 5.316 4.556 -0.001 0.000 0.326 51 H C -0.153 175.181 175.328 0.009 0.000 1.094 51 H CA -0.370 55.656 56.048 -0.037 0.000 1.253 51 H CB 1.509 31.238 29.762 -0.053 0.000 1.439 51 H HN 0.859 nan 8.280 nan 0.000 0.479 52 C N 0.772 120.151 119.300 0.132 0.000 3.340 52 C HA 1.007 5.466 4.460 -0.001 0.000 0.333 52 C C -0.583 174.438 174.990 0.051 0.000 1.464 52 C CA -0.722 58.345 59.018 0.081 0.000 1.337 52 C CB 1.112 28.884 27.740 0.054 0.000 1.740 52 C HN 1.060 nan 8.230 nan 0.000 0.450 53 A N -0.107 122.719 122.820 0.010 0.000 2.599 53 A HA 0.958 5.278 4.320 -0.001 0.000 0.294 53 A C 0.124 177.668 177.584 -0.067 0.000 1.055 53 A CA 0.876 52.897 52.037 -0.026 0.000 0.683 53 A CB 0.364 19.334 19.000 -0.050 0.000 1.278 53 A HN 3.266 nan 8.150 nan 0.000 0.412 54 G N 0.661 109.427 108.800 -0.056 0.000 2.539 54 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.256 54 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.256 54 G C -0.345 174.567 174.900 0.020 0.000 1.233 54 G CA 0.283 45.352 45.100 -0.052 0.000 0.936 54 G HN 1.106 nan 8.290 nan 0.000 0.571 55 D N 1.951 122.395 120.400 0.073 0.000 2.934 55 D HA 0.393 5.033 4.640 -0.001 0.000 0.237 55 D C 1.511 177.937 176.300 0.209 0.000 1.158 55 D CA 0.694 54.793 54.000 0.165 0.000 0.971 55 D CB 0.107 41.066 40.800 0.266 0.000 1.123 55 D HN 0.798 nan 8.370 nan 0.000 0.467 56 A N 0.486 123.379 122.820 0.123 0.000 2.206 56 A HA -0.104 4.215 4.320 -0.001 0.000 0.211 56 A C 1.631 179.267 177.584 0.086 0.000 1.158 56 A CA 0.524 52.633 52.037 0.122 0.000 0.761 56 A CB 0.255 19.299 19.000 0.073 0.000 0.801 56 A HN 0.127 nan 8.150 nan 0.000 0.473 57 D N -0.364 120.076 120.400 0.067 0.000 2.431 57 D HA 0.134 4.774 4.640 -0.001 0.000 0.213 57 D C -0.506 175.795 176.300 0.001 0.000 1.130 57 D CA 0.148 54.159 54.000 0.018 0.000 0.834 57 D CB 0.497 41.306 40.800 0.015 0.000 0.985 57 D HN 0.074 nan 8.370 nan 0.000 0.504 58 V N 2.079 122.015 119.914 0.036 0.000 2.488 58 V HA 0.141 4.261 4.120 -0.001 0.000 0.277 58 V C 0.665 176.680 176.094 -0.132 0.000 1.046 58 V CA -0.427 61.880 62.300 0.011 0.000 0.986 58 V CB 1.405 33.315 31.823 0.146 0.000 0.989 58 V HN 0.016 nan 8.190 nan 0.000 0.475 59 E N 4.583 124.692 120.200 -0.152 0.000 2.366 59 E HA 0.522 4.871 4.350 -0.001 0.000 0.266 59 E C -0.953 175.505 176.600 -0.237 0.000 1.051 59 E CA -0.036 56.189 56.400 -0.292 0.000 0.884 59 E CB 1.183 30.758 29.700 -0.207 0.000 1.006 59 E HN 0.589 nan 8.360 nan 0.000 0.417 60 F N -2.330 117.437 119.950 -0.305 0.000 2.678 60 F HA 0.273 4.800 4.527 -0.001 0.000 0.308 60 F C -0.334 175.380 175.800 -0.144 0.000 1.118 60 F CA -1.391 56.464 58.000 -0.242 0.000 0.959 60 F CB 0.392 39.141 39.000 -0.420 0.000 1.305 60 F HN 0.231 nan 8.300 nan 0.000 0.443 61 T N 0.378 115.003 114.554 0.118 0.000 2.902 61 T HA 0.174 4.523 4.350 -0.001 0.000 0.301 61 T C 0.982 175.783 174.700 0.168 0.000 1.012 61 T CA -0.212 61.914 62.100 0.044 0.000 1.151 61 T CB 0.935 69.828 68.868 0.041 0.000 0.946 61 T HN 0.893 nan 8.240 nan 0.000 0.542 62 I N 1.531 122.123 120.570 0.037 0.000 2.493 62 I HA -0.171 3.999 4.170 -0.001 0.000 0.254 62 I C 1.310 177.520 176.117 0.156 0.000 1.160 62 I CA 0.951 62.323 61.300 0.120 0.000 1.445 62 I CB -0.197 37.826 38.000 0.038 0.000 1.086 62 I HN 0.776 nan 8.210 nan 0.000 0.433 63 Q N -0.238 119.613 119.800 0.086 0.000 1.520 63 Q HA -0.355 3.985 4.340 -0.001 0.000 0.380 63 Q C 1.433 177.480 176.000 0.079 0.000 0.930 63 Q CA 1.770 57.613 55.803 0.066 0.000 0.725 63 Q CB -1.706 27.103 28.738 0.120 0.000 4.230 63 Q HN 0.368 nan 8.270 nan 0.000 0.635 64 S N 0.569 116.339 115.700 0.116 0.000 2.465 64 S HA -0.074 4.395 4.470 -0.001 0.000 0.241 64 S C 1.418 176.091 174.600 0.121 0.000 1.000 64 S CA 1.259 59.544 58.200 0.143 0.000 0.964 64 S CB -0.311 62.983 63.200 0.156 0.000 0.763 64 S HN 0.586 nan 8.310 nan 0.000 0.512 65 A N 0.987 123.890 122.820 0.139 0.000 2.239 65 A HA 0.009 4.329 4.320 -0.001 0.000 0.209 65 A C 2.081 179.795 177.584 0.216 0.000 1.171 65 A CA 1.250 53.379 52.037 0.155 0.000 0.768 65 A CB -0.489 18.642 19.000 0.218 0.000 0.790 65 A HN 0.588 nan 8.150 nan 0.000 0.478 66 S N -0.475 115.349 115.700 0.206 0.000 2.501 66 S HA -0.005 4.464 4.470 -0.001 0.000 0.220 66 S C 1.593 176.320 174.600 0.211 0.000 0.997 66 S CA 0.672 59.044 58.200 0.287 0.000 0.919 66 S CB -0.164 63.143 63.200 0.178 0.000 0.778 66 S HN 0.581 nan 8.310 nan 0.000 0.523 67 K N 2.147 122.613 120.400 0.110 0.000 2.063 67 K HA -0.029 4.290 4.320 -0.001 0.000 0.208 67 K C -0.717 175.860 176.600 -0.038 0.000 1.048 67 K CA 1.636 57.954 56.287 0.052 0.000 0.928 67 K CB -1.058 31.446 32.500 0.007 0.000 0.713 67 K HN 0.439 nan 8.250 nan 0.000 0.442 68 P HA -0.131 nan 4.420 nan 0.000 0.221 68 P C 0.994 178.129 177.300 -0.276 0.000 1.150 68 P CA 1.305 64.232 63.100 -0.289 0.000 0.800 68 P CB -0.019 31.367 31.700 -0.523 0.000 0.787 69 F N 0.990 120.991 119.950 0.084 0.000 2.187 69 F HA -0.086 4.441 4.527 -0.001 0.000 0.295 69 F C 2.623 178.457 175.800 0.058 0.000 1.091 69 F CA 1.679 59.713 58.000 0.056 0.000 1.308 69 F CB -1.695 37.326 39.000 0.036 0.000 1.030 69 F HN -0.056 nan 8.300 nan 0.000 0.487 70 T N -2.461 112.229 114.554 0.228 0.000 2.904 70 T HA -0.247 4.102 4.350 -0.001 0.000 0.267 70 T C 1.767 176.555 174.700 0.147 0.000 1.059 70 T CA 1.052 63.245 62.100 0.155 0.000 1.137 70 T CB -0.912 68.052 68.868 0.160 0.000 0.879 70 T HN 0.307 nan 8.240 nan 0.000 0.467 71 Y N 2.640 122.929 120.300 -0.017 0.000 2.200 71 Y HA 0.234 4.783 4.550 -0.001 0.000 0.290 71 Y C 2.709 178.558 175.900 -0.083 0.000 1.137 71 Y CA 0.367 58.427 58.100 -0.066 0.000 1.163 71 Y CB -1.072 37.332 38.460 -0.093 0.000 0.988 71 Y HN 0.289 nan 8.280 nan 0.000 0.518 72 A N 0.456 123.251 122.820 -0.042 0.000 1.877 72 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 72 A C 2.499 180.025 177.584 -0.096 0.000 1.186 72 A CA 2.066 54.022 52.037 -0.134 0.000 0.620 72 A CB -1.484 17.512 19.000 -0.007 0.000 0.822 72 A HN 0.544 nan 8.150 nan 0.000 0.443 73 A N -0.120 122.694 122.820 -0.011 0.000 1.908 73 A HA 0.119 4.439 4.320 -0.001 0.000 0.218 73 A C 2.510 180.064 177.584 -0.050 0.000 1.181 73 A CA 2.243 54.272 52.037 -0.014 0.000 0.627 73 A CB -1.040 17.968 19.000 0.014 0.000 0.818 73 A HN 1.088 nan 8.150 nan 0.000 0.445 74 A N -0.339 122.450 122.820 -0.053 0.000 1.902 74 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 74 A C 2.170 179.673 177.584 -0.135 0.000 1.181 74 A CA 1.493 53.493 52.037 -0.062 0.000 0.623 74 A CB -0.605 18.394 19.000 -0.002 0.000 0.818 74 A HN 0.476 nan 8.150 nan 0.000 0.443 75 L N -0.682 120.383 121.223 -0.264 0.000 2.046 75 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 75 L C 2.513 179.260 176.870 -0.206 0.000 1.077 75 L CA 1.037 55.633 54.840 -0.406 0.000 0.747 75 L CB -0.491 41.139 42.059 -0.715 0.000 0.896 75 L HN 0.250 nan 8.230 nan 0.000 0.432 76 V N -0.347 119.492 119.914 -0.125 0.000 2.358 76 V HA -0.250 3.870 4.120 -0.001 0.000 0.246 76 V C 1.890 177.969 176.094 -0.026 0.000 1.047 76 V CA 1.821 64.095 62.300 -0.044 0.000 1.035 76 V CB -0.421 31.387 31.823 -0.025 0.000 0.658 76 V HN 0.452 nan 8.190 nan 0.000 0.452 77 D N -0.569 119.809 120.400 -0.036 0.000 2.289 77 D HA -0.018 4.621 4.640 -0.001 0.000 0.207 77 D C 2.147 178.438 176.300 -0.016 0.000 0.966 77 D CA 0.631 54.618 54.000 -0.021 0.000 0.868 77 D CB 0.055 40.841 40.800 -0.023 0.000 0.943 77 D HN 0.321 nan 8.370 nan 0.000 0.514 78 R N -0.347 120.136 120.500 -0.028 0.000 2.435 78 R HA 0.336 4.676 4.340 -0.001 0.000 0.221 78 R C 0.928 177.229 176.300 0.002 0.000 0.885 78 R CA 0.438 56.530 56.100 -0.014 0.000 1.018 78 R CB 0.968 31.257 30.300 -0.019 0.000 1.259 78 R HN 0.112 nan 8.270 nan 0.000 0.597 79 G N 0.854 109.651 108.800 -0.004 0.000 2.692 79 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.686 79 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.686 79 G C 0.200 175.134 174.900 0.056 0.000 1.243 79 G CA -0.539 44.605 45.100 0.072 0.000 0.782 79 G HN -0.006 nan 8.290 nan 0.000 0.625 80 F N 1.525 121.460 119.950 -0.025 0.000 2.126 80 F HA 0.020 4.547 4.527 -0.001 0.000 0.299 80 F C 3.146 178.948 175.800 0.002 0.000 1.096 80 F CA 3.015 61.002 58.000 -0.022 0.000 1.255 80 F CB -0.681 38.304 39.000 -0.024 0.000 0.997 80 F HN 0.794 nan 8.300 nan 0.000 0.479 81 A N -0.105 122.827 122.820 0.187 0.000 1.883 81 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 81 A C 2.417 180.044 177.584 0.073 0.000 1.186 81 A CA 1.959 54.063 52.037 0.112 0.000 0.624 81 A CB -1.358 17.693 19.000 0.085 0.000 0.822 81 A HN 0.319 nan 8.150 nan 0.000 0.444 82 A N -0.821 122.032 122.820 0.054 0.000 1.930 82 A HA 0.060 4.379 4.320 -0.001 0.000 0.217 82 A C 2.200 179.802 177.584 0.030 0.000 1.175 82 A CA 1.739 53.798 52.037 0.036 0.000 0.627 82 A CB -0.706 18.309 19.000 0.025 0.000 0.815 82 A HN 0.384 nan 8.150 nan 0.000 0.443 83 V N 0.365 120.285 119.914 0.011 0.000 2.407 83 V HA -0.152 3.967 4.120 -0.001 0.000 0.245 83 V C 1.859 177.984 176.094 0.051 0.000 1.041 83 V CA 1.980 64.288 62.300 0.014 0.000 1.040 83 V CB -0.705 31.085 31.823 -0.055 0.000 0.671 83 V HN 0.442 nan 8.190 nan 0.000 0.455 84 D N 0.060 120.495 120.400 0.058 0.000 2.310 84 D HA -0.100 4.539 4.640 -0.001 0.000 0.212 84 D C 2.318 178.659 176.300 0.068 0.000 0.965 84 D CA 0.791 54.839 54.000 0.081 0.000 0.879 84 D CB -0.203 40.662 40.800 0.109 0.000 0.921 84 D HN 0.365 nan 8.370 nan 0.000 0.510 85 R N -0.108 120.429 120.500 0.062 0.000 2.193 85 R HA 0.040 4.380 4.340 -0.001 0.000 0.213 85 R C 1.604 177.942 176.300 0.063 0.000 1.055 85 R CA 0.739 56.876 56.100 0.062 0.000 0.995 85 R CB 0.238 30.573 30.300 0.058 0.000 0.893 85 R HN 0.159 nan 8.270 nan 0.000 0.459 86 Q N -0.709 119.124 119.800 0.055 0.000 2.316 86 Q HA 0.183 4.522 4.340 -0.001 0.000 0.235 86 Q C -0.269 175.752 176.000 0.035 0.000 0.863 86 Q CA 0.415 56.248 55.803 0.050 0.000 0.939 86 Q CB 1.724 30.488 28.738 0.044 0.000 1.108 86 Q HN 0.021 nan 8.270 nan 0.000 0.522 87 V N 0.626 120.561 119.914 0.035 0.000 2.569 87 V HA 0.592 4.712 4.120 -0.001 0.000 0.301 87 V C 0.366 176.469 176.094 0.015 0.000 1.044 87 V CA -0.760 61.543 62.300 0.005 0.000 0.874 87 V CB 1.519 33.334 31.823 -0.013 0.000 1.002 87 V HN 0.205 nan 8.190 nan 0.000 0.424 88 G N 2.958 111.752 108.800 -0.010 0.000 2.508 88 G HA2 0.554 4.513 3.960 -0.001 0.000 0.278 88 G HA3 0.554 4.513 3.960 -0.001 0.000 0.278 88 G C 0.114 175.010 174.900 -0.006 0.000 1.389 88 G CA -0.402 44.698 45.100 -0.001 0.000 1.050 88 G HN 0.663 nan 8.290 nan 0.000 0.522 89 L N 0.033 121.256 121.223 0.000 0.000 3.333 89 L HA 0.273 4.612 4.340 -0.001 0.000 0.299 89 L C 0.360 177.222 176.870 -0.014 0.000 1.256 89 L CA -0.357 54.485 54.840 0.004 0.000 1.037 89 L CB 0.294 42.378 42.059 0.041 0.000 1.423 89 L HN 0.356 nan 8.230 nan 0.000 0.605 90 N N 2.925 121.609 118.700 -0.027 0.000 2.419 90 N HA 0.242 4.981 4.740 -0.001 0.000 0.264 90 N C -2.567 172.919 175.510 -0.041 0.000 1.031 90 N CA -1.415 51.617 53.050 -0.029 0.000 0.951 90 N CB 1.708 40.177 38.487 -0.031 0.000 1.101 90 N HN -0.084 nan 8.380 nan 0.000 0.488 91 P HA 0.075 nan 4.420 nan 0.000 0.269 91 P C -0.749 176.535 177.300 -0.027 0.000 1.209 91 P CA 0.004 63.078 63.100 -0.044 0.000 0.776 91 P CB 0.802 32.483 31.700 -0.031 0.000 0.876 92 S N 0.172 115.863 115.700 -0.015 0.000 2.627 92 S HA 0.593 5.063 4.470 -0.001 0.000 0.268 92 S C -0.193 174.464 174.600 0.096 0.000 1.130 92 S CA -0.608 57.603 58.200 0.019 0.000 0.819 92 S CB 0.520 63.716 63.200 -0.007 0.000 1.100 92 S HN 0.583 nan 8.310 nan 0.000 0.465 93 G N 0.028 108.886 108.800 0.097 0.000 2.651 93 G HA2 0.402 4.362 3.960 -0.001 0.000 0.260 93 G HA3 0.402 4.362 3.960 -0.001 0.000 0.260 93 G C 0.432 175.430 174.900 0.163 0.000 1.216 93 G CA 0.162 45.349 45.100 0.145 0.000 0.913 93 G HN 0.905 nan 8.290 nan 0.000 0.535 94 E N -0.289 119.960 120.200 0.082 0.000 2.285 94 E HA 0.139 4.488 4.350 -0.001 0.000 0.194 94 E C 1.698 178.333 176.600 0.060 0.000 0.997 94 E CA 0.568 57.011 56.400 0.071 0.000 0.845 94 E CB -0.331 29.310 29.700 -0.098 0.000 0.782 94 E HN 0.616 nan 8.360 nan 0.000 0.491 95 A N 0.823 123.658 122.820 0.024 0.000 2.548 95 A HA 0.163 4.482 4.320 -0.001 0.000 0.247 95 A C -0.316 177.317 177.584 0.083 0.000 1.067 95 A CA -0.161 51.900 52.037 0.039 0.000 0.757 95 A CB -0.530 18.470 19.000 0.000 0.000 0.996 95 A HN 0.346 nan 8.150 nan 0.000 0.504 96 F N 3.514 123.443 119.950 -0.034 0.000 2.396 96 F HA 0.409 4.936 4.527 -0.001 0.000 0.343 96 F C 0.284 176.061 175.800 -0.037 0.000 1.104 96 F CA -0.374 57.604 58.000 -0.037 0.000 1.161 96 F CB 0.867 39.844 39.000 -0.039 0.000 1.146 96 F HN 0.600 nan 8.300 nan 0.000 0.522 97 N N 5.000 123.093 118.700 -1.012 0.000 2.504 97 N HA 0.072 4.812 4.740 -0.001 0.000 0.280 97 N C 0.552 175.441 175.510 -1.034 0.000 1.052 97 N CA -0.208 52.413 53.050 -0.716 0.000 0.887 97 N CB 1.275 39.528 38.487 -0.389 0.000 1.323 97 N HN 0.929 nan 8.380 nan 0.000 0.509 98 E N 3.349 123.163 120.200 -0.643 0.000 2.130 98 E HA -0.149 4.200 4.350 -0.001 0.000 0.196 98 E C 1.237 177.639 176.600 -0.329 0.000 0.998 98 E CA 1.053 57.238 56.400 -0.358 0.000 0.806 98 E CB 0.171 29.867 29.700 -0.007 0.000 0.738 98 E HN 0.664 nan 8.360 nan 0.000 0.459 99 L N 0.908 121.978 121.223 -0.256 0.000 2.270 99 L HA -0.231 4.109 4.340 -0.001 0.000 0.217 99 L C 2.618 179.355 176.870 -0.222 0.000 1.107 99 L CA 1.384 56.114 54.840 -0.185 0.000 0.772 99 L CB -0.536 41.438 42.059 -0.141 0.000 0.902 99 L HN 0.268 nan 8.230 nan 0.000 0.439 100 S N -0.604 114.911 115.700 -0.308 0.000 2.453 100 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 100 S C 1.755 176.217 174.600 -0.230 0.000 1.005 100 S CA 0.627 58.675 58.200 -0.254 0.000 0.949 100 S CB -0.263 62.769 63.200 -0.281 0.000 0.774 100 S HN 0.456 nan 8.310 nan 0.000 0.510 101 L N 0.487 121.523 121.223 -0.313 0.000 2.354 101 L HA 0.246 4.585 4.340 -0.001 0.000 0.212 101 L C 2.567 179.257 176.870 -0.299 0.000 1.091 101 L CA 0.604 55.219 54.840 -0.374 0.000 0.828 101 L CB -0.371 41.200 42.059 -0.814 0.000 0.973 101 L HN 0.309 nan 8.230 nan 0.000 0.461 102 E N 1.094 121.158 120.200 -0.227 0.000 2.347 102 E HA -0.010 4.339 4.350 -0.001 0.000 0.196 102 E C 1.052 177.539 176.600 -0.188 0.000 1.008 102 E CA 0.207 56.588 56.400 -0.031 0.000 0.852 102 E CB 0.114 29.829 29.700 0.026 0.000 0.783 102 E HN 0.419 nan 8.360 nan 0.000 0.505 103 A N 1.292 123.970 122.820 -0.238 0.000 2.492 103 A HA -0.070 4.249 4.320 -0.001 0.000 0.236 103 A C 0.694 178.028 177.584 -0.418 0.000 1.078 103 A CA -0.119 51.778 52.037 -0.233 0.000 0.773 103 A CB 0.255 19.153 19.000 -0.170 0.000 1.023 103 A HN 0.003 nan 8.150 nan 0.000 0.504 104 E N 0.907 120.948 120.200 -0.265 0.000 2.455 104 E HA -0.098 4.251 4.350 -0.001 0.000 0.202 104 E C 1.901 178.389 176.600 -0.188 0.000 1.045 104 E CA 1.602 57.867 56.400 -0.225 0.000 0.872 104 E CB -0.171 29.492 29.700 -0.062 0.000 0.792 104 E HN 0.602 nan 8.360 nan 0.000 0.542 105 S N -0.414 115.170 115.700 -0.193 0.000 2.377 105 S HA -0.086 4.383 4.470 -0.001 0.000 0.223 105 S C 0.162 174.779 174.600 0.028 0.000 1.030 105 S CA 0.439 58.605 58.200 -0.058 0.000 0.970 105 S CB -0.125 63.044 63.200 -0.050 0.000 0.830 105 S HN 0.348 nan 8.310 nan 0.000 0.473 106 H N 1.858 120.944 119.070 0.028 0.000 2.819 106 H HA -0.107 4.448 4.556 -0.001 0.000 0.323 106 H C 0.093 175.441 175.328 0.033 0.000 1.243 106 H CA 1.207 57.286 56.048 0.052 0.000 1.163 106 H CB -1.577 28.259 29.762 0.122 0.000 1.493 106 H HN 0.635 nan 8.280 nan 0.000 0.434 107 R N -0.782 119.752 120.500 0.057 0.000 2.629 107 R HA 0.494 4.834 4.340 -0.001 0.000 0.266 107 R C -3.411 172.895 176.300 0.010 0.000 1.051 107 R CA -1.876 54.251 56.100 0.045 0.000 0.895 107 R CB 2.317 32.643 30.300 0.043 0.000 1.246 107 R HN -0.125 nan 8.270 nan 0.000 0.459 108 P HA -0.002 nan 4.420 nan 0.000 0.269 108 P C -0.257 177.037 177.300 -0.010 0.000 1.215 108 P CA -0.079 63.044 63.100 0.037 0.000 0.780 108 P CB 0.771 32.494 31.700 0.038 0.000 0.898 109 D N 0.597 120.986 120.400 -0.018 0.000 2.126 109 D HA -0.133 4.506 4.640 -0.001 0.000 0.190 109 D C 0.971 177.234 176.300 -0.061 0.000 1.001 109 D CA 1.733 55.708 54.000 -0.042 0.000 0.841 109 D CB 0.100 40.874 40.800 -0.043 0.000 0.949 109 D HN 0.636 nan 8.370 nan 0.000 0.446 110 N N -2.244 116.402 118.700 -0.090 0.000 3.039 110 N HA 0.331 5.070 4.740 -0.001 0.000 0.257 110 N C -0.304 175.063 175.510 -0.237 0.000 1.497 110 N CA -0.386 52.571 53.050 -0.156 0.000 0.861 110 N CB 1.445 39.840 38.487 -0.153 0.000 1.479 110 N HN -0.108 nan 8.380 nan 0.000 0.547 111 A N -0.237 122.334 122.820 -0.414 0.000 2.238 111 A HA 0.131 4.450 4.320 -0.001 0.000 0.208 111 A C 1.248 178.622 177.584 -0.350 0.000 1.177 111 A CA 0.449 52.177 52.037 -0.514 0.000 0.804 111 A CB -0.478 17.818 19.000 -1.173 0.000 0.823 111 A HN 0.552 nan 8.150 nan 0.000 0.482 112 M N -0.102 119.326 119.600 -0.287 0.000 2.465 112 M HA 0.267 4.747 4.480 -0.001 0.000 0.249 112 M C 0.769 176.968 176.300 -0.168 0.000 1.130 112 M CA 0.204 55.355 55.300 -0.248 0.000 1.067 112 M CB -0.907 31.489 32.600 -0.341 0.000 1.394 112 M HN 0.581 nan 8.290 nan 0.000 0.483 113 I N -2.239 118.262 120.570 -0.114 0.000 2.577 113 I HA 0.346 4.515 4.170 -0.001 0.000 0.300 113 I C 1.072 177.161 176.117 -0.047 0.000 0.990 113 I CA -0.542 60.767 61.300 0.015 0.000 1.283 113 I CB 0.669 38.702 38.000 0.055 0.000 1.411 113 I HN -0.142 nan 8.210 nan 0.000 0.515 114 N N 3.330 122.009 118.700 -0.035 0.000 2.060 114 N HA -0.229 4.511 4.740 -0.001 0.000 0.195 114 N C 1.810 177.151 175.510 -0.282 0.000 1.028 114 N CA 2.277 55.207 53.050 -0.199 0.000 0.861 114 N CB -0.606 37.795 38.487 -0.143 0.000 1.029 114 N HN 0.860 nan 8.380 nan 0.000 0.428 115 A N 0.092 122.810 122.820 -0.171 0.000 1.940 115 A HA -0.031 4.289 4.320 -0.001 0.000 0.219 115 A C 2.374 179.871 177.584 -0.146 0.000 1.176 115 A CA 1.977 53.910 52.037 -0.173 0.000 0.631 115 A CB -1.192 17.762 19.000 -0.076 0.000 0.814 115 A HN 0.391 nan 8.150 nan 0.000 0.446 116 G N -0.931 107.794 108.800 -0.125 0.000 2.421 116 G HA2 0.105 4.065 3.960 -0.001 0.000 0.217 116 G HA3 0.105 4.065 3.960 -0.001 0.000 0.217 116 G C 1.648 176.449 174.900 -0.164 0.000 1.143 116 G CA 1.170 46.188 45.100 -0.137 0.000 0.784 116 G HN 0.772 nan 8.290 nan 0.000 0.541 117 A N 0.427 123.123 122.820 -0.208 0.000 1.968 117 A HA 0.208 4.527 4.320 -0.001 0.000 0.217 117 A C 2.371 179.843 177.584 -0.187 0.000 1.169 117 A CA 0.852 52.778 52.037 -0.185 0.000 0.638 117 A CB -0.267 18.602 19.000 -0.218 0.000 0.812 117 A HN 0.347 nan 8.150 nan 0.000 0.446 118 L N -0.855 120.184 121.223 -0.306 0.000 2.056 118 L HA -0.145 4.194 4.340 -0.001 0.000 0.207 118 L C 3.083 179.922 176.870 -0.051 0.000 1.078 118 L CA 1.014 55.731 54.840 -0.205 0.000 0.749 118 L CB -0.524 41.381 42.059 -0.258 0.000 0.901 118 L HN 0.411 nan 8.230 nan 0.000 0.433 119 A N -0.401 122.381 122.820 -0.063 0.000 1.933 119 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 119 A C 2.331 179.928 177.584 0.021 0.000 1.175 119 A CA 1.672 53.701 52.037 -0.014 0.000 0.628 119 A CB -0.735 18.252 19.000 -0.021 0.000 0.814 119 A HN 0.201 nan 8.150 nan 0.000 0.444 120 V N -0.583 119.342 119.914 0.019 0.000 2.307 120 V HA -0.243 3.877 4.120 -0.001 0.000 0.245 120 V C 2.516 178.660 176.094 0.083 0.000 1.045 120 V CA 2.053 64.388 62.300 0.059 0.000 1.024 120 V CB -0.943 30.916 31.823 0.060 0.000 0.651 120 V HN 0.757 nan 8.190 nan 0.000 0.449 121 H N 0.284 119.377 119.070 0.039 0.000 2.352 121 H HA -0.233 4.322 4.556 -0.001 0.000 0.299 121 H C 2.383 177.739 175.328 0.046 0.000 1.097 121 H CA 2.385 58.473 56.048 0.066 0.000 1.311 121 H CB 0.054 29.877 29.762 0.102 0.000 1.377 121 H HN 0.495 nan 8.280 nan 0.000 0.504 122 Q N 0.784 120.688 119.800 0.174 0.000 2.234 122 Q HA -0.077 4.262 4.340 -0.001 0.000 0.206 122 Q C 2.185 178.214 176.000 0.049 0.000 0.980 122 Q CA 1.287 57.157 55.803 0.111 0.000 0.869 122 Q CB -0.362 28.419 28.738 0.071 0.000 0.912 122 Q HN 0.527 nan 8.270 nan 0.000 0.436 123 L N -0.680 120.559 121.223 0.028 0.000 2.446 123 L HA 0.059 4.398 4.340 -0.001 0.000 0.219 123 L C 1.918 178.776 176.870 -0.019 0.000 1.116 123 L CA -0.037 54.808 54.840 0.009 0.000 0.844 123 L CB -0.232 41.836 42.059 0.016 0.000 0.970 123 L HN 0.230 nan 8.230 nan 0.000 0.457 124 L N -0.575 120.613 121.223 -0.058 0.000 2.058 124 L HA -0.360 3.979 4.340 -0.001 0.000 0.226 124 L C 2.148 178.983 176.870 -0.058 0.000 1.089 124 L CA 1.677 56.463 54.840 -0.091 0.000 0.799 124 L CB -0.488 41.442 42.059 -0.215 0.000 0.900 124 L HN 0.162 nan 8.230 nan 0.000 0.442 125 V N -2.738 117.151 119.914 -0.042 0.000 3.307 125 V HA 0.412 4.532 4.120 -0.001 0.000 0.244 125 V C 0.627 176.714 176.094 -0.012 0.000 1.196 125 V CA 0.693 62.979 62.300 -0.024 0.000 1.132 125 V CB 0.930 32.742 31.823 -0.019 0.000 0.875 125 V HN 0.578 nan 8.190 nan 0.000 0.468 126 G N -0.550 108.246 108.800 -0.006 0.000 2.321 126 G HA2 0.255 4.215 3.960 -0.001 0.000 0.298 126 G HA3 0.255 4.215 3.960 -0.001 0.000 0.298 126 G C -2.826 172.078 174.900 0.007 0.000 1.385 126 G CA -0.056 45.044 45.100 0.001 0.000 0.856 126 G HN -0.073 nan 8.290 nan 0.000 0.584 127 P HA 0.024 nan 4.420 nan 0.000 0.218 127 P C 0.996 178.305 177.300 0.014 0.000 1.148 127 P CA 1.472 64.580 63.100 0.013 0.000 0.822 127 P CB 0.222 31.930 31.700 0.012 0.000 0.784 128 E N -1.136 119.072 120.200 0.012 0.000 2.481 128 E HA 0.293 4.643 4.350 -0.001 0.000 0.198 128 E C 0.704 177.312 176.600 0.014 0.000 1.027 128 E CA -0.212 56.195 56.400 0.013 0.000 0.900 128 E CB -0.527 29.179 29.700 0.010 0.000 0.993 128 E HN 0.104 nan 8.360 nan 0.000 0.482 129 A N 1.448 124.276 122.820 0.014 0.000 2.507 129 A HA 0.340 4.659 4.320 -0.001 0.000 0.235 129 A C 0.707 178.306 177.584 0.024 0.000 1.070 129 A CA 0.026 52.073 52.037 0.015 0.000 0.768 129 A CB 0.160 19.166 19.000 0.010 0.000 1.011 129 A HN 0.251 nan 8.150 nan 0.000 0.502 130 S N 0.963 116.678 115.700 0.026 0.000 2.672 130 S HA 0.371 4.841 4.470 -0.001 0.000 0.276 130 S C 1.194 175.825 174.600 0.052 0.000 1.207 130 S CA -0.164 58.056 58.200 0.034 0.000 1.002 130 S CB 1.122 64.338 63.200 0.026 0.000 0.998 130 S HN 0.828 nan 8.310 nan 0.000 0.542 131 R N 0.748 121.285 120.500 0.062 0.000 2.103 131 R HA -0.156 4.184 4.340 -0.001 0.000 0.242 131 R C 1.920 178.279 176.300 0.099 0.000 1.142 131 R CA 1.496 57.652 56.100 0.094 0.000 0.960 131 R CB -0.343 30.005 30.300 0.080 0.000 0.858 131 R HN 0.648 nan 8.270 nan 0.000 0.439 132 K N 1.107 121.546 120.400 0.064 0.000 2.026 132 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 132 K C 1.830 178.461 176.600 0.052 0.000 1.048 132 K CA 1.875 58.196 56.287 0.056 0.000 0.929 132 K CB -0.159 32.360 32.500 0.031 0.000 0.713 132 K HN 0.376 nan 8.250 nan 0.000 0.439 133 E N 0.000 120.223 120.200 0.037 0.000 2.058 133 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 133 E C 2.259 178.867 176.600 0.014 0.000 0.997 133 E CA 1.224 57.637 56.400 0.022 0.000 0.801 133 E CB -0.109 29.600 29.700 0.014 0.000 0.746 133 E HN 0.251 nan 8.360 nan 0.000 0.450 134 R N 0.524 121.035 120.500 0.018 0.000 2.096 134 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 134 R C 2.536 178.812 176.300 -0.040 0.000 1.127 134 R CA 0.765 56.839 56.100 -0.045 0.000 0.968 134 R CB -0.399 29.874 30.300 -0.046 0.000 0.861 134 R HN 0.224 nan 8.270 nan 0.000 0.440 135 L N 2.124 123.405 121.223 0.097 0.000 2.056 135 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 135 L C 1.275 178.188 176.870 0.071 0.000 1.078 135 L CA 2.354 57.284 54.840 0.151 0.000 0.749 135 L CB -0.835 41.332 42.059 0.180 0.000 0.901 135 L HN 0.214 nan 8.230 nan 0.000 0.433 136 D N -1.017 119.412 120.400 0.048 0.000 2.264 136 D HA -0.247 4.393 4.640 -0.001 0.000 0.208 136 D C 2.088 178.392 176.300 0.007 0.000 0.966 136 D CA 0.636 54.653 54.000 0.028 0.000 0.864 136 D CB -0.275 40.540 40.800 0.025 0.000 0.933 136 D HN 0.138 nan 8.370 nan 0.000 0.499 137 R N 1.029 121.525 120.500 -0.006 0.000 2.115 137 R HA 0.175 4.514 4.340 -0.001 0.000 0.226 137 R C 1.969 178.259 176.300 -0.017 0.000 1.100 137 R CA 1.531 57.619 56.100 -0.020 0.000 0.980 137 R CB -0.922 29.354 30.300 -0.040 0.000 0.875 137 R HN 0.199 nan 8.270 nan 0.000 0.445 138 A N -0.198 122.612 122.820 -0.017 0.000 1.873 138 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 138 A C 2.278 179.870 177.584 0.013 0.000 1.186 138 A CA 1.664 53.710 52.037 0.014 0.000 0.616 138 A CB -0.732 18.301 19.000 0.055 0.000 0.823 138 A HN 0.153 nan 8.150 nan 0.000 0.442 139 V N 0.282 120.196 119.914 -0.000 0.000 2.407 139 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 139 V C 2.535 178.607 176.094 -0.037 0.000 1.055 139 V CA 2.300 64.583 62.300 -0.028 0.000 1.049 139 V CB -0.727 31.081 31.823 -0.025 0.000 0.662 139 V HN 0.796 nan 8.190 nan 0.000 0.455 140 E N 0.003 120.190 120.200 -0.022 0.000 2.051 140 E HA -0.261 4.088 4.350 -0.001 0.000 0.192 140 E C 2.199 178.783 176.600 -0.027 0.000 0.991 140 E CA 1.690 58.076 56.400 -0.024 0.000 0.799 140 E CB -0.158 29.534 29.700 -0.014 0.000 0.748 140 E HN 0.471 nan 8.360 nan 0.000 0.449 141 I N 0.832 121.395 120.570 -0.012 0.000 2.226 141 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 141 I C 2.243 178.329 176.117 -0.052 0.000 1.100 141 I CA 1.461 62.762 61.300 0.001 0.000 1.374 141 I CB -0.151 37.878 38.000 0.049 0.000 1.057 141 I HN 0.244 nan 8.210 nan 0.000 0.413 142 M N -0.915 118.629 119.600 -0.093 0.000 2.175 142 M HA -0.174 4.306 4.480 -0.001 0.000 0.264 142 M C 2.270 178.438 176.300 -0.220 0.000 1.063 142 M CA 1.546 56.694 55.300 -0.252 0.000 1.119 142 M CB -0.283 32.192 32.600 -0.209 0.000 1.377 142 M HN 0.150 nan 8.290 nan 0.000 0.415 143 S N 0.680 116.303 115.700 -0.128 0.000 2.371 143 S HA -0.002 4.468 4.470 -0.001 0.000 0.224 143 S C 1.826 176.382 174.600 -0.072 0.000 1.029 143 S CA 0.909 59.049 58.200 -0.101 0.000 0.978 143 S CB -0.285 62.871 63.200 -0.074 0.000 0.833 143 S HN 0.390 nan 8.310 nan 0.000 0.466 144 L N 1.168 122.360 121.223 -0.052 0.000 2.042 144 L HA -0.106 4.233 4.340 -0.001 0.000 0.210 144 L C 2.117 179.008 176.870 0.036 0.000 1.076 144 L CA 1.147 55.976 54.840 -0.018 0.000 0.749 144 L CB -0.556 41.501 42.059 -0.004 0.000 0.893 144 L HN 0.315 nan 8.230 nan 0.000 0.432 145 L N -0.917 120.304 121.223 -0.003 0.000 2.179 145 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 145 L C 2.748 179.628 176.870 0.016 0.000 1.096 145 L CA 0.756 55.608 54.840 0.021 0.000 0.779 145 L CB -0.641 41.359 42.059 -0.100 0.000 0.922 145 L HN 0.198 nan 8.230 nan 0.000 0.443 146 A N -0.170 122.613 122.820 -0.062 0.000 1.970 146 A HA 0.158 4.478 4.320 -0.001 0.000 0.216 146 A C 1.835 179.458 177.584 0.066 0.000 1.170 146 A CA 1.205 53.210 52.037 -0.052 0.000 0.645 146 A CB -0.392 18.529 19.000 -0.132 0.000 0.816 146 A HN 0.514 nan 8.150 nan 0.000 0.447 147 G N -1.035 107.801 108.800 0.059 0.000 2.144 147 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 147 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 147 G C 0.086 174.953 174.900 -0.054 0.000 0.988 147 G CA 0.357 45.450 45.100 -0.012 0.000 0.659 147 G HN 1.371 nan 8.290 nan 0.000 0.522 148 R N -1.438 119.029 120.500 -0.056 0.000 2.634 148 R HA 0.599 4.939 4.340 -0.001 0.000 0.263 148 R C -0.565 175.694 176.300 -0.068 0.000 1.060 148 R CA -1.244 54.819 56.100 -0.062 0.000 0.898 148 R CB 0.841 31.105 30.300 -0.060 0.000 1.253 148 R HN -0.013 nan 8.270 nan 0.000 0.461 149 R N 2.688 123.152 120.500 -0.059 0.000 2.473 149 R HA 0.138 4.478 4.340 -0.001 0.000 0.315 149 R C -0.137 176.122 176.300 -0.068 0.000 0.972 149 R CA 0.164 56.230 56.100 -0.056 0.000 1.047 149 R CB -0.417 29.859 30.300 -0.041 0.000 0.932 149 R HN 0.484 nan 8.270 nan 0.000 0.411 150 L N 1.316 122.490 121.223 -0.081 0.000 2.360 150 L HA 0.373 4.712 4.340 -0.001 0.000 0.271 150 L C 0.575 177.388 176.870 -0.094 0.000 1.057 150 L CA -0.457 54.321 54.840 -0.104 0.000 0.803 150 L CB 1.507 43.486 42.059 -0.133 0.000 1.207 150 L HN 0.476 nan 8.230 nan 0.000 0.445 151 S N 0.255 115.887 115.700 -0.113 0.000 2.568 151 S HA 0.570 5.039 4.470 -0.001 0.000 0.302 151 S C -0.513 173.966 174.600 -0.201 0.000 1.082 151 S CA -0.621 57.512 58.200 -0.113 0.000 1.009 151 S CB 2.274 65.430 63.200 -0.072 0.000 1.069 151 S HN 0.233 nan 8.310 nan 0.000 0.500 152 V N 2.131 121.865 119.914 -0.301 0.000 2.607 152 V HA 0.243 4.362 4.120 -0.001 0.000 0.289 152 V C -0.053 175.640 176.094 -0.668 0.000 1.053 152 V CA -0.523 61.417 62.300 -0.599 0.000 0.996 152 V CB 1.389 32.553 31.823 -1.099 0.000 0.995 152 V HN 0.872 nan 8.190 nan 0.000 0.476 153 D N 2.984 123.074 120.400 -0.516 0.000 2.456 153 D HA 0.208 4.847 4.640 -0.001 0.000 0.219 153 D C 0.532 176.663 176.300 -0.283 0.000 1.126 153 D CA -0.316 53.503 54.000 -0.302 0.000 0.890 153 D CB 0.414 41.129 40.800 -0.143 0.000 1.025 153 D HN 0.510 nan 8.370 nan 0.000 0.511 154 W N 2.068 123.387 121.300 0.032 0.000 2.421 154 W HA -0.052 4.608 4.660 -0.001 0.000 0.270 154 W C 2.096 178.693 176.519 0.131 0.000 1.233 154 W CA 0.182 57.576 57.345 0.082 0.000 1.226 154 W CB 0.001 29.473 29.460 0.020 0.000 1.121 154 W HN 0.513 nan 8.180 nan 0.000 0.579 155 E N 0.024 120.362 120.200 0.229 0.000 2.077 155 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 155 E C 1.812 178.488 176.600 0.127 0.000 0.989 155 E CA 1.882 58.378 56.400 0.160 0.000 0.800 155 E CB -0.112 29.646 29.700 0.097 0.000 0.746 155 E HN 0.124 nan 8.360 nan 0.000 0.452 156 T N 0.137 114.744 114.554 0.088 0.000 2.777 156 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 156 T C 1.452 176.208 174.700 0.094 0.000 1.040 156 T CA 1.310 63.444 62.100 0.056 0.000 1.141 156 T CB -0.551 68.327 68.868 0.017 0.000 0.868 156 T HN 0.338 nan 8.240 nan 0.000 0.444 157 Y N 2.528 122.834 120.300 0.010 0.000 2.081 157 Y HA -0.240 4.309 4.550 -0.001 0.000 0.280 157 Y C 2.417 178.386 175.900 0.116 0.000 1.163 157 Y CA 1.709 59.842 58.100 0.055 0.000 1.135 157 Y CB -0.256 38.280 38.460 0.126 0.000 0.970 157 Y HN 0.080 nan 8.280 nan 0.000 0.498 158 E N -0.145 120.160 120.200 0.175 0.000 2.077 158 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 158 E C 2.436 179.028 176.600 -0.013 0.000 0.989 158 E CA 1.397 57.828 56.400 0.053 0.000 0.800 158 E CB -0.571 29.237 29.700 0.180 0.000 0.746 158 E HN 0.469 nan 8.360 nan 0.000 0.452 159 S N 0.945 116.659 115.700 0.024 0.000 2.382 159 S HA -0.193 4.276 4.470 -0.001 0.000 0.228 159 S C 2.001 176.615 174.600 0.024 0.000 1.027 159 S CA 1.529 59.739 58.200 0.017 0.000 0.991 159 S CB -0.099 63.106 63.200 0.008 0.000 0.823 159 S HN 0.333 nan 8.310 nan 0.000 0.469 160 E N 0.793 121.002 120.200 0.015 0.000 2.107 160 E HA -0.013 4.336 4.350 -0.001 0.000 0.191 160 E C 1.876 178.445 176.600 -0.051 0.000 0.982 160 E CA 0.841 57.280 56.400 0.065 0.000 0.809 160 E CB -0.099 29.643 29.700 0.069 0.000 0.756 160 E HN 0.224 nan 8.360 nan 0.000 0.459 161 M N 0.243 119.725 119.600 -0.196 0.000 2.460 161 M HA 0.028 4.507 4.480 -0.001 0.000 0.263 161 M C 2.079 178.325 176.300 -0.091 0.000 1.071 161 M CA 1.186 56.358 55.300 -0.213 0.000 1.096 161 M CB -0.713 31.654 32.600 -0.388 0.000 1.408 161 M HN 0.309 nan 8.290 nan 0.000 0.463 162 A N 0.143 122.934 122.820 -0.049 0.000 2.067 162 A HA 0.093 4.413 4.320 -0.001 0.000 0.217 162 A C 1.347 178.934 177.584 0.006 0.000 1.156 162 A CA 1.080 53.111 52.037 -0.011 0.000 0.683 162 A CB -0.250 18.752 19.000 0.004 0.000 0.808 162 A HN 0.358 nan 8.150 nan 0.000 0.455 163 V N -3.760 116.164 119.914 0.017 0.000 2.647 163 V HA 0.446 4.566 4.120 -0.001 0.000 0.305 163 V C 0.131 176.219 176.094 -0.011 0.000 1.162 163 V CA 0.039 62.353 62.300 0.024 0.000 1.248 163 V CB -0.159 31.712 31.823 0.081 0.000 1.508 163 V HN 0.099 nan 8.190 nan 0.000 0.647 164 S N 0.937 116.623 115.700 -0.024 0.000 2.561 164 S HA 0.165 4.634 4.470 -0.001 0.000 0.245 164 S C 1.259 175.842 174.600 -0.028 0.000 1.001 164 S CA -0.211 57.965 58.200 -0.039 0.000 1.002 164 S CB -0.122 63.054 63.200 -0.040 0.000 0.805 164 S HN 0.709 nan 8.310 nan 0.000 0.458 165 D N 2.292 122.678 120.400 -0.023 0.000 2.104 165 D HA -0.169 4.470 4.640 -0.001 0.000 0.194 165 D C 2.044 178.330 176.300 -0.023 0.000 0.994 165 D CA 1.019 55.012 54.000 -0.012 0.000 0.830 165 D CB -0.020 40.774 40.800 -0.010 0.000 0.959 165 D HN 0.378 nan 8.370 nan 0.000 0.452 166 R N 0.748 121.221 120.500 -0.046 0.000 2.083 166 R HA -0.137 4.203 4.340 -0.001 0.000 0.237 166 R C 1.942 178.198 176.300 -0.073 0.000 1.137 166 R CA 1.377 57.441 56.100 -0.059 0.000 0.951 166 R CB 0.012 30.267 30.300 -0.075 0.000 0.851 166 R HN 0.060 nan 8.270 nan 0.000 0.434 167 N N 0.554 119.215 118.700 -0.065 0.000 2.223 167 N HA -0.140 4.600 4.740 -0.001 0.000 0.185 167 N C 1.798 177.265 175.510 -0.072 0.000 1.016 167 N CA 1.080 54.088 53.050 -0.070 0.000 0.863 167 N CB -0.132 38.353 38.487 -0.003 0.000 0.983 167 N HN 0.280 nan 8.380 nan 0.000 0.429 168 L N 0.095 121.300 121.223 -0.030 0.000 2.141 168 L HA -0.090 4.250 4.340 -0.001 0.000 0.209 168 L C 2.468 179.380 176.870 0.070 0.000 1.094 168 L CA 0.717 55.564 54.840 0.011 0.000 0.763 168 L CB -0.346 41.758 42.059 0.074 0.000 0.908 168 L HN 0.139 nan 8.230 nan 0.000 0.437 169 S N 0.200 115.910 115.700 0.018 0.000 2.355 169 S HA -0.139 4.330 4.470 -0.001 0.000 0.222 169 S C 2.001 176.547 174.600 -0.090 0.000 1.031 169 S CA 1.115 59.315 58.200 0.001 0.000 0.993 169 S CB -0.175 63.003 63.200 -0.037 0.000 0.859 169 S HN 0.318 nan 8.310 nan 0.000 0.453 170 L N 1.112 122.214 121.223 -0.201 0.000 2.046 170 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 170 L C 3.025 179.744 176.870 -0.251 0.000 1.077 170 L CA 1.298 55.916 54.840 -0.369 0.000 0.747 170 L CB -0.775 41.054 42.059 -0.382 0.000 0.896 170 L HN 0.433 nan 8.230 nan 0.000 0.432 171 A N -1.083 121.631 122.820 -0.178 0.000 1.930 171 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 171 A C 2.154 179.656 177.584 -0.137 0.000 1.175 171 A CA 1.285 53.220 52.037 -0.168 0.000 0.627 171 A CB -0.721 18.161 19.000 -0.196 0.000 0.815 171 A HN 0.401 nan 8.150 nan 0.000 0.443 172 H N -1.858 117.175 119.070 -0.062 0.000 2.389 172 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 172 H C 2.010 177.339 175.328 0.001 0.000 1.081 172 H CA 2.005 58.038 56.048 -0.026 0.000 1.345 172 H CB -0.125 29.623 29.762 -0.024 0.000 1.393 172 H HN 0.512 nan 8.280 nan 0.000 0.520 173 M N 0.519 120.179 119.600 0.100 0.000 2.200 173 M HA -0.058 4.421 4.480 -0.001 0.000 0.265 173 M C 2.123 178.545 176.300 0.203 0.000 1.066 173 M CA 1.126 56.513 55.300 0.144 0.000 1.127 173 M CB -0.490 32.132 32.600 0.037 0.000 1.379 173 M HN 0.098 nan 8.290 nan 0.000 0.420 174 L N -0.787 120.474 121.223 0.064 0.000 2.083 174 L HA -0.225 4.114 4.340 -0.001 0.000 0.209 174 L C 2.529 179.471 176.870 0.120 0.000 1.083 174 L CA 1.305 56.197 54.840 0.087 0.000 0.752 174 L CB -0.618 41.432 42.059 -0.014 0.000 0.899 174 L HN 0.289 nan 8.230 nan 0.000 0.433 175 R N -0.217 120.325 120.500 0.070 0.000 2.096 175 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 175 R C 2.596 178.932 176.300 0.060 0.000 1.127 175 R CA 1.648 57.779 56.100 0.052 0.000 0.968 175 R CB -0.437 29.881 30.300 0.029 0.000 0.861 175 R HN 0.480 nan 8.270 nan 0.000 0.440 176 S N -0.195 115.554 115.700 0.082 0.000 2.419 176 S HA -0.160 4.309 4.470 -0.001 0.000 0.233 176 S C 1.468 175.985 174.600 -0.139 0.000 1.016 176 S CA 0.947 59.134 58.200 -0.021 0.000 0.974 176 S CB -0.305 62.883 63.200 -0.021 0.000 0.786 176 S HN 0.360 nan 8.310 nan 0.000 0.492 177 Y N 1.794 122.112 120.300 0.030 0.000 2.457 177 Y HA 0.414 4.963 4.550 -0.001 0.000 0.263 177 Y C 1.913 177.801 175.900 -0.020 0.000 1.164 177 Y CA -0.160 57.951 58.100 0.019 0.000 1.274 177 Y CB 0.027 38.547 38.460 0.100 0.000 1.097 177 Y HN 0.438 nan 8.280 nan 0.000 0.523 178 G N -0.579 108.270 108.800 0.081 0.000 2.159 178 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.256 178 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.256 178 G C 0.963 175.900 174.900 0.063 0.000 0.977 178 G CA 0.595 45.720 45.100 0.042 0.000 0.652 178 G HN 0.249 nan 8.290 nan 0.000 0.531 179 V N 0.139 120.109 119.914 0.093 0.000 2.591 179 V HA 0.238 4.357 4.120 -0.001 0.000 0.249 179 V C 1.628 177.747 176.094 0.042 0.000 1.053 179 V CA 1.554 63.897 62.300 0.071 0.000 1.068 179 V CB -0.158 31.710 31.823 0.076 0.000 0.689 179 V HN 0.429 nan 8.190 nan 0.000 0.462 180 L N -0.591 120.652 121.223 0.032 0.000 2.330 180 L HA 0.410 4.750 4.340 -0.001 0.000 0.271 180 L C 0.571 177.451 176.870 0.015 0.000 1.013 180 L CA -0.407 54.442 54.840 0.015 0.000 0.816 180 L CB 1.917 43.971 42.059 -0.009 0.000 1.287 180 L HN 0.017 nan 8.230 nan 0.000 0.435 181 Q N -0.444 119.365 119.800 0.014 0.000 2.511 181 Q HA 0.126 4.465 4.340 -0.001 0.000 0.236 181 Q C -0.199 175.807 176.000 0.009 0.000 0.893 181 Q CA 0.331 56.142 55.803 0.013 0.000 0.947 181 Q CB 0.466 29.213 28.738 0.016 0.000 1.110 181 Q HN 0.526 nan 8.270 nan 0.000 0.591 182 D N 0.668 121.074 120.400 0.011 0.000 2.380 182 D HA 0.106 4.745 4.640 -0.001 0.000 0.254 182 D C 0.266 176.560 176.300 -0.010 0.000 1.288 182 D CA 0.114 54.120 54.000 0.009 0.000 1.008 182 D CB 0.277 41.091 40.800 0.023 0.000 1.099 182 D HN 0.129 nan 8.370 nan 0.000 0.537 183 S N -1.058 114.634 115.700 -0.013 0.000 2.585 183 S HA 0.365 4.835 4.470 -0.001 0.000 0.273 183 S C 1.051 175.592 174.600 -0.099 0.000 1.339 183 S CA -0.152 58.022 58.200 -0.042 0.000 1.028 183 S CB 1.416 64.606 63.200 -0.018 0.000 0.906 183 S HN 0.464 nan 8.310 nan 0.000 0.528 184 A N 2.187 124.875 122.820 -0.221 0.000 1.883 184 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 184 A C 2.212 179.678 177.584 -0.197 0.000 1.186 184 A CA 1.504 53.330 52.037 -0.352 0.000 0.624 184 A CB -0.948 17.465 19.000 -0.979 0.000 0.822 184 A HN 0.918 nan 8.150 nan 0.000 0.444 185 E N -0.446 119.678 120.200 -0.127 0.000 2.110 185 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 185 E C 1.974 178.569 176.600 -0.010 0.000 0.988 185 E CA 1.364 57.740 56.400 -0.039 0.000 0.804 185 E CB -0.320 29.382 29.700 0.004 0.000 0.745 185 E HN 0.866 nan 8.360 nan 0.000 0.458 186 E N 0.438 120.633 120.200 -0.009 0.000 2.031 186 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 186 E C 2.087 178.693 176.600 0.010 0.000 0.994 186 E CA 0.758 57.170 56.400 0.020 0.000 0.800 186 E CB 0.087 29.802 29.700 0.025 0.000 0.752 186 E HN 0.072 nan 8.360 nan 0.000 0.447 187 I N 1.047 121.607 120.570 -0.017 0.000 2.315 187 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 187 I C 2.479 178.545 176.117 -0.085 0.000 1.117 187 I CA 0.733 62.009 61.300 -0.039 0.000 1.404 187 I CB -0.925 37.060 38.000 -0.025 0.000 1.071 187 I HN 0.114 nan 8.210 nan 0.000 0.419 188 V N 1.302 121.190 119.914 -0.044 0.000 2.427 188 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 188 V C 2.796 178.917 176.094 0.045 0.000 1.051 188 V CA 1.584 63.889 62.300 0.008 0.000 1.048 188 V CB -0.938 30.879 31.823 -0.011 0.000 0.666 188 V HN 0.432 nan 8.190 nan 0.000 0.456 189 A N 0.497 123.349 122.820 0.053 0.000 1.902 189 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 189 A C 2.406 180.094 177.584 0.173 0.000 1.181 189 A CA 1.898 54.041 52.037 0.176 0.000 0.623 189 A CB -1.123 18.003 19.000 0.211 0.000 0.818 189 A HN 0.514 nan 8.150 nan 0.000 0.443 190 G N -1.689 107.087 108.800 -0.040 0.000 2.402 190 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.216 190 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.216 190 G C 1.559 176.250 174.900 -0.349 0.000 1.162 190 G CA 1.242 46.202 45.100 -0.233 0.000 0.777 190 G HN 0.586 nan 8.290 nan 0.000 0.539 191 Y N 1.276 121.263 120.300 -0.522 0.000 2.224 191 Y HA -0.072 4.478 4.550 -0.001 0.000 0.289 191 Y C 2.681 178.565 175.900 -0.027 0.000 1.146 191 Y CA 1.337 59.309 58.100 -0.215 0.000 1.182 191 Y CB -0.298 38.069 38.460 -0.155 0.000 0.983 191 Y HN 0.035 nan 8.280 nan 0.000 0.524 192 V N 0.359 120.186 119.914 -0.146 0.000 2.548 192 V HA -0.231 3.888 4.120 -0.001 0.000 0.249 192 V C 2.630 178.740 176.094 0.027 0.000 1.055 192 V CA 1.557 63.771 62.300 -0.144 0.000 1.065 192 V CB -1.354 30.443 31.823 -0.043 0.000 0.681 192 V HN 0.554 nan 8.190 nan 0.000 0.462 193 A N -0.572 122.348 122.820 0.167 0.000 1.897 193 A HA -0.263 4.056 4.320 -0.001 0.000 0.215 193 A C 2.251 179.759 177.584 -0.126 0.000 1.181 193 A CA 1.788 53.827 52.037 0.004 0.000 0.620 193 A CB -0.526 18.413 19.000 -0.102 0.000 0.821 193 A HN 0.576 nan 8.150 nan 0.000 0.443 194 Q N -0.444 119.320 119.800 -0.059 0.000 2.112 194 Q HA -0.238 4.101 4.340 -0.001 0.000 0.206 194 Q C 1.851 177.789 176.000 -0.104 0.000 0.987 194 Q CA 2.222 58.006 55.803 -0.032 0.000 0.858 194 Q CB -0.403 28.393 28.738 0.097 0.000 0.905 194 Q HN 0.644 nan 8.270 nan 0.000 0.420 195 C N 0.024 119.197 119.300 -0.212 0.000 2.472 195 C HA 0.171 4.630 4.460 -0.001 0.000 0.278 195 C C 2.285 177.211 174.990 -0.107 0.000 1.447 195 C CA 0.450 59.357 59.018 -0.186 0.000 1.773 195 C CB -0.928 26.621 27.740 -0.318 0.000 1.793 195 C HN 0.595 nan 8.230 nan 0.000 0.544 196 A N -0.227 122.514 122.820 -0.132 0.000 2.275 196 A HA 0.309 4.628 4.320 -0.001 0.000 0.212 196 A C 0.763 178.221 177.584 -0.209 0.000 1.201 196 A CA 0.242 52.190 52.037 -0.149 0.000 0.843 196 A CB -0.129 18.767 19.000 -0.173 0.000 0.873 196 A HN 0.293 nan 8.150 nan 0.000 0.492 197 V N 1.687 121.487 119.914 -0.190 0.000 2.540 197 V HA 0.029 4.149 4.120 -0.001 0.000 0.297 197 V C 0.331 176.306 176.094 -0.197 0.000 1.024 197 V CA 0.374 62.555 62.300 -0.198 0.000 1.105 197 V CB 0.476 32.209 31.823 -0.149 0.000 0.938 197 V HN 0.439 nan 8.190 nan 0.000 0.482 198 L N 6.874 127.964 121.223 -0.222 0.000 2.349 198 L HA 0.614 4.954 4.340 -0.001 0.000 0.275 198 L C -0.037 176.632 176.870 -0.336 0.000 1.115 198 L CA 0.033 54.713 54.840 -0.267 0.000 0.820 198 L CB 1.260 43.187 42.059 -0.219 0.000 1.135 198 L HN 0.651 nan 8.230 nan 0.000 0.445 199 V N -0.696 118.892 119.914 -0.544 0.000 3.232 199 V HA 0.801 4.920 4.120 -0.001 0.000 0.303 199 V C -0.357 175.195 176.094 -0.904 0.000 1.311 199 V CA -0.628 61.325 62.300 -0.579 0.000 1.061 199 V CB 1.933 33.468 31.823 -0.480 0.000 1.085 199 V HN 0.767 nan 8.190 nan 0.000 0.447 200 T N -1.748 112.472 114.554 -0.557 0.000 2.940 200 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 200 T C 0.932 175.555 174.700 -0.129 0.000 1.045 200 T CA -0.004 61.857 62.100 -0.397 0.000 1.018 200 T CB 1.475 70.237 68.868 -0.176 0.000 1.151 200 T HN 0.969 nan 8.240 nan 0.000 0.529 201 V N 1.149 121.152 119.914 0.148 0.000 2.392 201 V HA -0.166 3.954 4.120 -0.001 0.000 0.249 201 V C 2.669 178.834 176.094 0.117 0.000 1.059 201 V CA 1.754 64.203 62.300 0.249 0.000 1.051 201 V CB -1.009 30.977 31.823 0.272 0.000 0.658 201 V HN 0.872 nan 8.190 nan 0.000 0.455 202 K N -0.215 120.215 120.400 0.050 0.000 2.155 202 K HA -0.130 4.189 4.320 -0.001 0.000 0.203 202 K C 1.912 178.506 176.600 -0.010 0.000 1.052 202 K CA 1.378 57.677 56.287 0.019 0.000 0.948 202 K CB -0.257 32.244 32.500 0.002 0.000 0.728 202 K HN 0.509 nan 8.250 nan 0.000 0.448 203 D N 1.294 121.664 120.400 -0.051 0.000 2.117 203 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 203 D C 2.012 178.277 176.300 -0.058 0.000 0.987 203 D CA 1.023 54.972 54.000 -0.084 0.000 0.829 203 D CB -0.148 40.559 40.800 -0.155 0.000 0.961 203 D HN 0.139 nan 8.370 nan 0.000 0.460 204 L N 0.890 122.110 121.223 -0.005 0.000 2.046 204 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 204 L C 2.644 179.570 176.870 0.092 0.000 1.077 204 L CA 1.134 56.020 54.840 0.078 0.000 0.747 204 L CB -0.471 41.692 42.059 0.173 0.000 0.896 204 L HN -0.021 nan 8.230 nan 0.000 0.432 205 A N -0.346 122.518 122.820 0.074 0.000 1.898 205 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 205 A C 2.339 179.933 177.584 0.017 0.000 1.181 205 A CA 1.654 53.729 52.037 0.063 0.000 0.620 205 A CB -0.742 18.292 19.000 0.057 0.000 0.819 205 A HN 0.184 nan 8.150 nan 0.000 0.442 206 V N -0.010 119.893 119.914 -0.019 0.000 2.261 206 V HA -0.335 3.785 4.120 -0.001 0.000 0.246 206 V C 2.660 178.691 176.094 -0.104 0.000 1.047 206 V CA 2.359 64.612 62.300 -0.078 0.000 1.015 206 V CB -0.787 30.997 31.823 -0.064 0.000 0.642 206 V HN 0.587 nan 8.190 nan 0.000 0.446 207 M N 0.453 120.011 119.600 -0.070 0.000 2.082 207 M HA -0.148 4.332 4.480 -0.001 0.000 0.258 207 M C 2.267 178.639 176.300 0.121 0.000 1.069 207 M CA 2.332 57.599 55.300 -0.055 0.000 1.102 207 M CB -1.012 31.465 32.600 -0.204 0.000 1.336 207 M HN 0.479 nan 8.290 nan 0.000 0.404 208 G N -0.332 108.557 108.800 0.147 0.000 2.432 208 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.219 208 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.219 208 G C 1.622 176.568 174.900 0.076 0.000 1.135 208 G CA 0.911 46.103 45.100 0.152 0.000 0.767 208 G HN 0.558 nan 8.290 nan 0.000 0.550 209 A N -0.040 122.791 122.820 0.018 0.000 1.930 209 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 209 A C 2.540 180.102 177.584 -0.036 0.000 1.175 209 A CA 1.607 53.633 52.037 -0.018 0.000 0.627 209 A CB -0.879 18.084 19.000 -0.061 0.000 0.815 209 A HN 0.404 nan 8.150 nan 0.000 0.443 210 C N -0.602 118.658 119.300 -0.068 0.000 2.413 210 C HA -0.084 4.375 4.460 -0.001 0.000 0.276 210 C C 2.622 177.626 174.990 0.023 0.000 1.248 210 C CA 1.059 60.044 59.018 -0.055 0.000 1.742 210 C CB -1.482 26.223 27.740 -0.058 0.000 2.017 210 C HN 0.625 nan 8.230 nan 0.000 0.481 211 L N 0.999 122.261 121.223 0.064 0.000 2.056 211 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 211 L C 2.886 179.782 176.870 0.044 0.000 1.078 211 L CA 1.520 56.400 54.840 0.066 0.000 0.749 211 L CB -0.875 41.229 42.059 0.076 0.000 0.901 211 L HN 0.297 nan 8.230 nan 0.000 0.433 212 A N 0.073 122.917 122.820 0.040 0.000 2.070 212 A HA -0.176 4.143 4.320 -0.001 0.000 0.220 212 A C 2.208 179.809 177.584 0.028 0.000 1.159 212 A CA 2.029 54.087 52.037 0.035 0.000 0.656 212 A CB -0.775 18.246 19.000 0.035 0.000 0.800 212 A HN 0.536 nan 8.150 nan 0.000 0.453 213 T N -5.045 109.521 114.554 0.021 0.000 3.086 213 T HA 0.427 4.777 4.350 -0.001 0.000 0.250 213 T C 1.246 175.962 174.700 0.027 0.000 1.074 213 T CA 0.992 63.104 62.100 0.021 0.000 0.988 213 T CB 0.211 69.086 68.868 0.011 0.000 0.988 213 T HN 1.636 nan 8.240 nan 0.000 0.530 214 G N 0.426 109.244 108.800 0.031 0.000 2.141 214 G HA2 0.172 4.131 3.960 -0.001 0.000 0.231 214 G HA3 0.172 4.131 3.960 -0.001 0.000 0.231 214 G C 0.915 175.837 174.900 0.036 0.000 0.984 214 G CA 0.103 45.224 45.100 0.034 0.000 0.660 214 G HN 1.768 nan 8.290 nan 0.000 0.525 215 G N -1.321 107.502 108.800 0.037 0.000 2.154 215 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.186 215 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.186 215 G C 0.085 175.013 174.900 0.046 0.000 1.000 215 G CA 0.100 45.227 45.100 0.044 0.000 0.664 215 G HN 1.092 nan 8.290 nan 0.000 0.513 216 I N 2.171 122.763 120.570 0.038 0.000 2.315 216 I HA 0.275 4.444 4.170 -0.001 0.000 0.291 216 I C 0.628 176.774 176.117 0.048 0.000 1.006 216 I CA -0.974 60.355 61.300 0.049 0.000 1.265 216 I CB 0.844 38.867 38.000 0.039 0.000 1.387 216 I HN 0.114 nan 8.210 nan 0.000 0.475 217 H N 9.472 128.548 119.070 0.011 0.000 2.848 217 H HA 0.112 4.667 4.556 -0.001 0.000 0.317 217 H C -1.552 173.776 175.328 -0.000 0.000 1.046 217 H CA -1.172 54.878 56.048 0.003 0.000 1.470 217 H CB 1.586 31.344 29.762 -0.006 0.000 1.483 217 H HN 0.349 nan 8.280 nan 0.000 0.548 218 P HA -0.144 nan 4.420 nan 0.000 0.219 218 P C 1.362 178.737 177.300 0.125 0.000 1.150 218 P CA 0.956 64.072 63.100 0.026 0.000 0.814 218 P CB 0.361 32.026 31.700 -0.059 0.000 0.787 219 M N -0.458 119.336 119.600 0.323 0.000 2.349 219 M HA 0.009 4.488 4.480 -0.001 0.000 0.266 219 M C 1.913 178.269 176.300 0.094 0.000 1.076 219 M CA 1.927 57.347 55.300 0.200 0.000 1.126 219 M CB -1.775 30.955 32.600 0.217 0.000 1.392 219 M HN 0.127 nan 8.290 nan 0.000 0.440 220 T N -4.369 110.246 114.554 0.101 0.000 2.955 220 T HA 0.395 4.745 4.350 -0.001 0.000 0.251 220 T C 1.504 176.224 174.700 0.034 0.000 1.002 220 T CA 0.906 63.006 62.100 -0.000 0.000 0.970 220 T CB 0.455 69.260 68.868 -0.104 0.000 1.091 220 T HN 0.470 nan 8.240 nan 0.000 0.495 221 G N 1.421 110.269 108.800 0.079 0.000 2.179 221 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.260 221 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.260 221 G C -0.125 174.806 174.900 0.052 0.000 0.977 221 G CA 0.392 45.527 45.100 0.058 0.000 0.641 221 G HN 0.878 nan 8.290 nan 0.000 0.533 222 E N 0.259 120.492 120.200 0.054 0.000 2.366 222 E HA 0.434 4.783 4.350 -0.001 0.000 0.266 222 E C 0.579 177.216 176.600 0.061 0.000 1.051 222 E CA -0.833 55.591 56.400 0.039 0.000 0.884 222 E CB 0.381 30.088 29.700 0.012 0.000 1.006 222 E HN 0.347 nan 8.360 nan 0.000 0.417 223 R N 4.769 125.296 120.500 0.044 0.000 2.196 223 R HA 0.100 4.439 4.340 -0.001 0.000 0.340 223 R C 0.786 177.115 176.300 0.048 0.000 1.043 223 R CA -0.398 55.730 56.100 0.047 0.000 0.883 223 R CB 0.426 30.747 30.300 0.035 0.000 1.078 223 R HN 0.635 nan 8.270 nan 0.000 0.462 224 M N 3.935 123.574 119.600 0.064 0.000 2.394 224 M HA 0.151 4.630 4.480 -0.001 0.000 0.266 224 M C 0.051 176.381 176.300 0.050 0.000 1.098 224 M CA 0.813 56.150 55.300 0.062 0.000 1.149 224 M CB -0.253 32.401 32.600 0.090 0.000 1.369 224 M HN 0.468 nan 8.290 nan 0.000 0.450 225 L N 0.660 121.914 121.223 0.050 0.000 2.445 225 L HA 0.440 4.780 4.340 -0.001 0.000 0.262 225 L C -2.380 174.516 176.870 0.042 0.000 0.974 225 L CA -1.921 52.946 54.840 0.044 0.000 0.822 225 L CB 2.607 44.696 42.059 0.050 0.000 1.339 225 L HN -0.122 nan 8.230 nan 0.000 0.409 226 P HA 0.032 nan 4.420 nan 0.000 0.268 226 P C 0.486 177.815 177.300 0.048 0.000 1.205 226 P CA -0.211 62.915 63.100 0.044 0.000 0.771 226 P CB 1.180 32.912 31.700 0.053 0.000 0.858 227 S N 2.897 118.620 115.700 0.038 0.000 2.399 227 S HA -0.180 4.290 4.470 -0.001 0.000 0.231 227 S C 1.913 176.538 174.600 0.042 0.000 1.022 227 S CA 0.717 58.939 58.200 0.036 0.000 0.983 227 S CB -1.153 62.063 63.200 0.027 0.000 0.803 227 S HN 0.540 nan 8.310 nan 0.000 0.480 228 I N 1.029 121.622 120.570 0.039 0.000 2.614 228 I HA -0.080 4.090 4.170 -0.001 0.000 0.258 228 I C 1.890 178.106 176.117 0.166 0.000 1.189 228 I CA 0.882 62.204 61.300 0.036 0.000 1.462 228 I CB -0.036 37.922 38.000 -0.069 0.000 1.092 228 I HN 0.219 nan 8.210 nan 0.000 0.442 229 V N 1.038 121.058 119.914 0.176 0.000 2.407 229 V HA -0.117 4.003 4.120 -0.001 0.000 0.245 229 V C 2.678 178.800 176.094 0.047 0.000 1.041 229 V CA 1.530 63.922 62.300 0.152 0.000 1.040 229 V CB -0.644 31.213 31.823 0.057 0.000 0.671 229 V HN 0.527 nan 8.190 nan 0.000 0.455 230 A N -0.071 122.777 122.820 0.047 0.000 1.898 230 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 230 A C 2.375 179.983 177.584 0.039 0.000 1.181 230 A CA 1.887 53.944 52.037 0.034 0.000 0.620 230 A CB -0.548 18.477 19.000 0.041 0.000 0.819 230 A HN 0.438 nan 8.150 nan 0.000 0.442 231 R N -0.777 119.755 120.500 0.053 0.000 2.091 231 R HA -0.213 4.126 4.340 -0.001 0.000 0.238 231 R C 2.444 178.784 176.300 0.067 0.000 1.136 231 R CA 1.919 58.050 56.100 0.052 0.000 0.959 231 R CB -0.193 30.134 30.300 0.044 0.000 0.856 231 R HN 0.443 nan 8.270 nan 0.000 0.437 232 R N 0.296 120.854 120.500 0.098 0.000 2.073 232 R HA -0.078 4.261 4.340 -0.001 0.000 0.234 232 R C 1.982 178.332 176.300 0.084 0.000 1.134 232 R CA 1.889 58.059 56.100 0.115 0.000 0.952 232 R CB -0.903 29.497 30.300 0.168 0.000 0.850 232 R HN 0.111 nan 8.270 nan 0.000 0.433 233 V N 0.088 120.016 119.914 0.023 0.000 2.287 233 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 233 V C 2.343 178.464 176.094 0.045 0.000 1.053 233 V CA 1.908 64.245 62.300 0.062 0.000 1.027 233 V CB -0.463 31.351 31.823 -0.015 0.000 0.646 233 V HN 0.215 nan 8.190 nan 0.000 0.447 234 V N -0.394 119.536 119.914 0.028 0.000 2.626 234 V HA -0.184 3.935 4.120 -0.001 0.000 0.252 234 V C 2.491 178.604 176.094 0.032 0.000 1.067 234 V CA 1.940 64.253 62.300 0.021 0.000 1.081 234 V CB -0.459 31.381 31.823 0.028 0.000 0.686 234 V HN 0.533 nan 8.190 nan 0.000 0.468 235 S N 0.141 115.870 115.700 0.048 0.000 2.355 235 S HA -0.149 4.320 4.470 -0.001 0.000 0.222 235 S C 2.021 176.644 174.600 0.038 0.000 1.031 235 S CA 1.509 59.738 58.200 0.048 0.000 0.993 235 S CB -0.171 63.066 63.200 0.062 0.000 0.859 235 S HN 0.400 nan 8.310 nan 0.000 0.453 236 V N 1.980 121.926 119.914 0.054 0.000 2.515 236 V HA -0.125 3.995 4.120 -0.001 0.000 0.250 236 V C 2.157 178.221 176.094 -0.049 0.000 1.058 236 V CA 1.410 63.718 62.300 0.013 0.000 1.064 236 V CB -0.657 31.197 31.823 0.051 0.000 0.675 236 V HN 0.459 nan 8.190 nan 0.000 0.461 237 M N -0.454 119.122 119.600 -0.040 0.000 2.159 237 M HA -0.167 4.313 4.480 -0.001 0.000 0.263 237 M C 2.264 178.525 176.300 -0.064 0.000 1.063 237 M CA 2.042 57.293 55.300 -0.082 0.000 1.110 237 M CB -0.639 31.923 32.600 -0.063 0.000 1.374 237 M HN 0.354 nan 8.290 nan 0.000 0.411 238 T N 0.153 114.701 114.554 -0.011 0.000 2.737 238 T HA -0.101 4.248 4.350 -0.001 0.000 0.265 238 T C 1.930 176.637 174.700 0.013 0.000 1.038 238 T CA 1.886 64.002 62.100 0.027 0.000 1.144 238 T CB -0.309 68.587 68.868 0.047 0.000 0.866 238 T HN 0.550 nan 8.240 nan 0.000 0.434 239 S N 0.483 116.180 115.700 -0.006 0.000 2.461 239 S HA 0.079 4.549 4.470 -0.001 0.000 0.228 239 S C 1.865 176.431 174.600 -0.058 0.000 1.005 239 S CA 0.777 58.970 58.200 -0.013 0.000 0.942 239 S CB -0.020 63.177 63.200 -0.005 0.000 0.776 239 S HN 0.316 nan 8.310 nan 0.000 0.514 240 S N -0.080 115.551 115.700 -0.116 0.000 2.628 240 S HA 0.369 4.839 4.470 -0.001 0.000 0.246 240 S C 1.855 176.238 174.600 -0.362 0.000 1.062 240 S CA 0.009 58.087 58.200 -0.204 0.000 1.028 240 S CB -0.032 63.047 63.200 -0.201 0.000 0.985 240 S HN 0.596 nan 8.310 nan 0.000 0.551 241 G N 2.914 111.527 108.800 -0.310 0.000 2.599 241 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.219 241 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.219 241 G C 0.907 175.495 174.900 -0.521 0.000 1.193 241 G CA 1.063 45.930 45.100 -0.389 0.000 0.778 241 G HN 0.387 nan 8.290 nan 0.000 0.589 242 M N 0.742 120.086 119.600 -0.425 0.000 2.853 242 M HA 0.346 4.825 4.480 -0.001 0.000 0.274 242 M C 0.135 176.421 176.300 -0.022 0.000 1.289 242 M CA -1.284 53.831 55.300 -0.308 0.000 1.031 242 M CB -1.627 30.625 32.600 -0.579 0.000 1.352 242 M HN 0.375 nan 8.290 nan 0.000 0.485 243 Y N -0.337 119.893 120.300 -0.116 0.000 2.864 243 Y HA -0.427 4.122 4.550 -0.001 0.000 0.468 243 Y C 1.425 177.302 175.900 -0.039 0.000 1.175 243 Y CA 1.676 59.735 58.100 -0.068 0.000 2.601 243 Y CB -1.254 37.170 38.460 -0.060 0.000 1.207 243 Y HN 0.284 nan 8.280 nan 0.000 0.627 244 D N 0.163 120.673 120.400 0.184 0.000 2.349 244 D HA 0.241 4.880 4.640 -0.001 0.000 0.224 244 D C 1.221 177.573 176.300 0.087 0.000 1.029 244 D CA 0.992 55.048 54.000 0.093 0.000 0.879 244 D CB -0.167 40.675 40.800 0.069 0.000 0.906 244 D HN 0.495 nan 8.370 nan 0.000 0.528 245 A N 0.089 122.975 122.820 0.111 0.000 2.415 245 A HA 0.450 4.770 4.320 -0.001 0.000 0.248 245 A C 1.911 179.588 177.584 0.154 0.000 1.299 245 A CA 0.357 52.467 52.037 0.121 0.000 0.899 245 A CB 0.082 19.156 19.000 0.124 0.000 0.997 245 A HN 0.105 nan 8.150 nan 0.000 0.506 246 A N -0.321 122.565 122.820 0.111 0.000 2.014 246 A HA 0.193 4.513 4.320 -0.001 0.000 0.218 246 A C 2.164 179.848 177.584 0.166 0.000 1.163 246 A CA 1.613 53.723 52.037 0.121 0.000 0.652 246 A CB -0.755 18.267 19.000 0.037 0.000 0.808 246 A HN 0.633 nan 8.150 nan 0.000 0.449 247 G N 0.293 109.166 108.800 0.122 0.000 2.404 247 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.215 247 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.215 247 G C 1.656 176.630 174.900 0.122 0.000 1.174 247 G CA 1.021 46.184 45.100 0.105 0.000 0.780 247 G HN 0.748 nan 8.290 nan 0.000 0.537 248 Q N -1.123 118.758 119.800 0.134 0.000 2.119 248 Q HA -0.127 4.213 4.340 -0.001 0.000 0.201 248 Q C 2.329 178.423 176.000 0.156 0.000 0.972 248 Q CA 1.233 57.110 55.803 0.124 0.000 0.847 248 Q CB -0.670 28.139 28.738 0.119 0.000 0.903 248 Q HN 0.615 nan 8.270 nan 0.000 0.433 249 W N 2.001 123.319 121.300 0.031 0.000 2.358 249 W HA -0.144 4.515 4.660 -0.001 0.000 0.303 249 W C 1.827 178.350 176.519 0.006 0.000 1.208 249 W CA 0.778 58.136 57.345 0.022 0.000 1.274 249 W CB -0.142 29.330 29.460 0.020 0.000 1.138 249 W HN 0.271 nan 8.180 nan 0.000 0.515 250 L N 1.626 122.973 121.223 0.207 0.000 2.046 250 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 250 L C 2.359 179.250 176.870 0.035 0.000 1.077 250 L CA 2.450 57.344 54.840 0.090 0.000 0.747 250 L CB -1.426 40.711 42.059 0.130 0.000 0.896 250 L HN 0.014 nan 8.230 nan 0.000 0.432 251 A N -0.262 122.609 122.820 0.085 0.000 1.854 251 A HA -0.188 4.132 4.320 -0.001 0.000 0.214 251 A C 1.862 179.525 177.584 0.132 0.000 1.192 251 A CA 1.605 53.719 52.037 0.128 0.000 0.611 251 A CB -0.545 18.501 19.000 0.076 0.000 0.832 251 A HN 0.492 nan 8.150 nan 0.000 0.442 252 D N -0.769 119.630 120.400 -0.002 0.000 2.183 252 D HA -0.025 4.614 4.640 -0.001 0.000 0.203 252 D C 1.825 178.019 176.300 -0.177 0.000 0.969 252 D CA 1.555 55.514 54.000 -0.067 0.000 0.842 252 D CB 0.109 40.855 40.800 -0.090 0.000 0.957 252 D HN 0.297 nan 8.370 nan 0.000 0.484 253 V N -1.091 118.560 119.914 -0.438 0.000 3.090 253 V HA 0.258 4.378 4.120 -0.001 0.000 0.237 253 V C 1.601 177.291 176.094 -0.674 0.000 1.209 253 V CA 0.584 62.511 62.300 -0.621 0.000 1.209 253 V CB 0.207 31.249 31.823 -1.303 0.000 0.971 253 V HN 0.227 nan 8.190 nan 0.000 0.477 254 G N 1.373 109.694 108.800 -0.799 0.000 2.179 254 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.257 254 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.257 254 G C -0.034 174.606 174.900 -0.432 0.000 1.010 254 G CA 0.621 45.133 45.100 -0.981 0.000 0.736 254 G HN 0.503 nan 8.290 nan 0.000 0.513 255 I N 0.785 121.243 120.570 -0.187 0.000 2.382 255 I HA 0.285 4.455 4.170 -0.001 0.000 0.286 255 I C -2.257 174.029 176.117 0.282 0.000 1.002 255 I CA -2.561 58.772 61.300 0.054 0.000 1.135 255 I CB 2.225 40.279 38.000 0.089 0.000 1.288 255 I HN -0.191 nan 8.210 nan 0.000 0.448 256 P HA 0.134 nan 4.420 nan 0.000 0.263 256 P C -0.709 176.680 177.300 0.148 0.000 1.195 256 P CA 0.261 63.449 63.100 0.148 0.000 0.762 256 P CB 0.701 32.446 31.700 0.075 0.000 0.799 257 A N 2.809 125.674 122.820 0.074 0.000 2.602 257 A HA 0.840 5.160 4.320 -0.001 0.000 0.290 257 A C -1.277 176.219 177.584 -0.146 0.000 1.114 257 A CA -0.498 51.542 52.037 0.005 0.000 0.683 257 A CB 1.697 20.758 19.000 0.101 0.000 1.281 257 A HN 0.315 nan 8.150 nan 0.000 0.416 258 K N -0.103 120.238 120.400 -0.099 0.000 2.550 258 K HA 0.641 4.961 4.320 -0.001 0.000 0.252 258 K C -1.025 175.559 176.600 -0.026 0.000 0.943 258 K CA 0.074 56.295 56.287 -0.110 0.000 0.806 258 K CB 2.021 34.465 32.500 -0.094 0.000 1.289 258 K HN 0.928 nan 8.250 nan 0.000 0.435 259 S N 1.598 117.286 115.700 -0.020 0.000 2.638 259 S HA 0.892 5.361 4.470 -0.001 0.000 0.298 259 S C -0.488 174.165 174.600 0.088 0.000 1.111 259 S CA -0.243 57.981 58.200 0.039 0.000 1.027 259 S CB 1.066 64.268 63.200 0.003 0.000 1.064 259 S HN 0.717 nan 8.310 nan 0.000 0.525 260 G N 0.318 109.185 108.800 0.111 0.000 2.498 260 G HA2 0.478 4.438 3.960 -0.001 0.000 0.312 260 G HA3 0.478 4.438 3.960 -0.001 0.000 0.312 260 G C 0.686 175.652 174.900 0.110 0.000 1.230 260 G CA -0.363 44.817 45.100 0.132 0.000 0.968 260 G HN 1.178 nan 8.290 nan 0.000 0.481 261 V N -1.450 118.537 119.914 0.121 0.000 3.444 261 V HA 0.214 4.333 4.120 -0.001 0.000 0.271 261 V C 2.023 178.170 176.094 0.089 0.000 1.188 261 V CA 1.719 64.085 62.300 0.110 0.000 1.168 261 V CB -0.415 31.514 31.823 0.176 0.000 0.810 261 V HN 0.800 nan 8.190 nan 0.000 0.500 262 A N 0.072 122.959 122.820 0.111 0.000 2.275 262 A HA 0.555 4.874 4.320 -0.001 0.000 0.212 262 A C 1.978 179.599 177.584 0.062 0.000 1.201 262 A CA 0.869 52.977 52.037 0.120 0.000 0.843 262 A CB -0.274 18.863 19.000 0.229 0.000 0.873 262 A HN 1.547 nan 8.150 nan 0.000 0.492 263 G N -2.124 106.672 108.800 -0.007 0.000 2.192 263 G HA2 0.023 3.983 3.960 -0.001 0.000 0.193 263 G HA3 0.023 3.983 3.960 -0.001 0.000 0.193 263 G C 0.588 175.428 174.900 -0.100 0.000 0.999 263 G CA -0.012 45.024 45.100 -0.108 0.000 0.659 263 G HN 1.294 nan 8.290 nan 0.000 0.503 264 G N -0.563 108.186 108.800 -0.085 0.000 2.420 264 G HA2 0.664 4.623 3.960 -0.001 0.000 0.284 264 G HA3 0.664 4.623 3.960 -0.001 0.000 0.284 264 G C -0.525 174.466 174.900 0.152 0.000 1.177 264 G CA -0.000 45.118 45.100 0.032 0.000 0.841 264 G HN 1.006 nan 8.290 nan 0.000 0.527 265 V N 3.151 123.180 119.914 0.192 0.000 2.577 265 V HA 0.400 4.520 4.120 -0.001 0.000 0.303 265 V C -0.218 175.997 176.094 0.201 0.000 1.042 265 V CA -0.861 61.539 62.300 0.167 0.000 0.872 265 V CB 1.706 33.625 31.823 0.160 0.000 0.998 265 V HN 0.698 nan 8.190 nan 0.000 0.423 266 L N 3.983 125.308 121.223 0.171 0.000 2.309 266 L HA 0.925 5.264 4.340 -0.001 0.000 0.282 266 L C 0.209 177.168 176.870 0.149 0.000 1.036 266 L CA 0.047 54.995 54.840 0.179 0.000 0.806 266 L CB 1.563 43.733 42.059 0.185 0.000 1.220 266 L HN 0.829 nan 8.230 nan 0.000 0.429 267 G N 2.995 111.891 108.800 0.160 0.000 2.638 267 G HA2 0.730 4.689 3.960 -0.001 0.000 0.302 267 G HA3 0.730 4.689 3.960 -0.001 0.000 0.302 267 G C -1.631 173.344 174.900 0.125 0.000 1.365 267 G CA -0.355 44.837 45.100 0.153 0.000 0.987 267 G HN 0.835 nan 8.290 nan 0.000 0.495 268 A N 1.658 124.541 122.820 0.105 0.000 2.679 268 A HA 0.557 4.876 4.320 -0.001 0.000 0.288 268 A C -1.341 176.286 177.584 0.072 0.000 1.160 268 A CA -0.456 51.631 52.037 0.082 0.000 0.763 268 A CB 1.139 20.180 19.000 0.068 0.000 1.270 268 A HN 0.935 nan 8.150 nan 0.000 0.417 269 L N 5.023 126.288 121.223 0.069 0.000 2.270 269 L HA 0.467 4.807 4.340 -0.001 0.000 0.286 269 L C -2.108 174.792 176.870 0.051 0.000 1.059 269 L CA -2.045 52.831 54.840 0.060 0.000 0.839 269 L CB 0.710 42.806 42.059 0.062 0.000 1.221 269 L HN 0.427 nan 8.230 nan 0.000 0.431 270 P HA 0.012 nan 4.420 nan 0.000 0.257 270 P C 0.895 178.220 177.300 0.040 0.000 1.162 270 P CA 1.263 64.388 63.100 0.042 0.000 0.762 270 P CB 0.383 32.107 31.700 0.041 0.000 0.753 271 G N 3.973 112.794 108.800 0.036 0.000 2.212 271 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.266 271 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.266 271 G C 1.071 175.990 174.900 0.031 0.000 0.978 271 G CA 0.599 45.719 45.100 0.033 0.000 0.632 271 G HN 0.543 nan 8.290 nan 0.000 0.537 272 R N -0.985 119.535 120.500 0.034 0.000 2.197 272 R HA 0.597 4.937 4.340 -0.001 0.000 0.188 272 R C 0.662 176.980 176.300 0.030 0.000 1.015 272 R CA 1.231 57.350 56.100 0.032 0.000 1.132 272 R CB 0.823 31.146 30.300 0.038 0.000 1.134 272 R HN 1.100 nan 8.270 nan 0.000 0.560 273 V N -3.360 116.578 119.914 0.040 0.000 3.278 273 V HA 0.765 4.884 4.120 -0.001 0.000 0.288 273 V C -0.991 175.135 176.094 0.053 0.000 1.514 273 V CA -1.094 61.231 62.300 0.041 0.000 1.051 273 V CB 1.450 33.306 31.823 0.056 0.000 1.163 273 V HN 0.192 nan 8.190 nan 0.000 0.458 274 G N 1.268 110.097 108.800 0.048 0.000 2.388 274 G HA2 0.786 4.745 3.960 -0.001 0.000 0.330 274 G HA3 0.786 4.745 3.960 -0.001 0.000 0.330 274 G C -1.000 173.952 174.900 0.087 0.000 1.142 274 G CA -0.822 44.317 45.100 0.065 0.000 0.908 274 G HN 0.851 nan 8.290 nan 0.000 0.473 275 I N 0.777 121.417 120.570 0.116 0.000 2.646 275 I HA 0.666 4.835 4.170 -0.001 0.000 0.299 275 I C 0.352 176.563 176.117 0.156 0.000 1.036 275 I CA -0.962 60.422 61.300 0.140 0.000 1.074 275 I CB 2.662 40.761 38.000 0.163 0.000 1.258 275 I HN 0.606 nan 8.210 nan 0.000 0.430 276 G N 4.299 113.197 108.800 0.163 0.000 2.732 276 G HA2 0.664 4.623 3.960 -0.001 0.000 0.295 276 G HA3 0.664 4.623 3.960 -0.001 0.000 0.295 276 G C -1.470 173.559 174.900 0.215 0.000 1.456 276 G CA -0.321 44.896 45.100 0.194 0.000 1.050 276 G HN 0.338 nan 8.290 nan 0.000 0.525 277 V N 1.713 121.781 119.914 0.256 0.000 2.841 277 V HA 0.749 4.869 4.120 -0.001 0.000 0.310 277 V C -1.380 174.904 176.094 0.315 0.000 1.090 277 V CA -0.924 61.537 62.300 0.268 0.000 0.930 277 V CB 2.000 33.980 31.823 0.262 0.000 1.014 277 V HN 0.766 nan 8.190 nan 0.000 0.425 278 F N 2.544 122.566 119.950 0.119 0.000 2.561 278 F HA 0.818 5.345 4.527 -0.000 0.000 0.313 278 F C -0.370 175.483 175.800 0.087 0.000 1.126 278 F CA -0.474 57.479 58.000 -0.078 0.000 0.918 278 F CB 2.104 41.030 39.000 -0.123 0.000 1.199 278 F HN 0.505 nan 8.300 nan 0.000 0.444 279 S N 7.383 122.656 115.700 -0.712 0.000 2.333 279 S HA 0.301 4.771 4.470 -0.001 0.000 0.250 279 S C -2.449 171.806 174.600 -0.575 0.000 0.959 279 S CA -0.716 57.075 58.200 -0.681 0.000 1.037 279 S CB 1.073 64.009 63.200 -0.439 0.000 1.215 279 S HN 0.406 nan 8.310 nan 0.000 0.410 280 P HA -0.146 nan 4.420 nan 0.000 0.220 280 P C -0.039 177.149 177.300 -0.186 0.000 1.155 280 P CA 1.290 64.207 63.100 -0.305 0.000 0.880 280 P CB 0.071 31.629 31.700 -0.236 0.000 0.790 281 R N 0.074 120.456 120.500 -0.198 0.000 2.442 281 R HA 0.259 4.598 4.340 -0.001 0.000 0.291 281 R C 0.082 176.312 176.300 -0.117 0.000 1.069 281 R CA -0.192 55.825 56.100 -0.139 0.000 1.022 281 R CB 0.027 30.242 30.300 -0.140 0.000 0.976 281 R HN 0.167 nan 8.270 nan 0.000 0.443 282 L N 2.756 123.934 121.223 -0.076 0.000 2.334 282 L HA 0.284 4.623 4.340 -0.001 0.000 0.275 282 L C 0.363 177.206 176.870 -0.045 0.000 1.036 282 L CA -1.074 53.734 54.840 -0.053 0.000 0.807 282 L CB 1.251 43.293 42.059 -0.029 0.000 1.231 282 L HN 0.659 nan 8.230 nan 0.000 0.438 283 D N -0.124 120.256 120.400 -0.035 0.000 2.447 283 D HA 0.000 4.640 4.640 -0.001 0.000 0.265 283 D C 0.844 177.130 176.300 -0.023 0.000 1.250 283 D CA -0.463 53.521 54.000 -0.026 0.000 1.046 283 D CB 0.381 41.175 40.800 -0.011 0.000 1.095 283 D HN 0.671 nan 8.370 nan 0.000 0.555 284 E N -1.099 119.090 120.200 -0.019 0.000 2.267 284 E HA -0.192 4.158 4.350 -0.001 0.000 0.197 284 E C 1.462 178.044 176.600 -0.030 0.000 0.998 284 E CA 1.517 57.904 56.400 -0.021 0.000 0.830 284 E CB -0.552 29.139 29.700 -0.015 0.000 0.751 284 E HN 0.326 nan 8.360 nan 0.000 0.491 285 V N -3.344 116.550 119.914 -0.034 0.000 3.376 285 V HA 0.574 4.693 4.120 -0.001 0.000 0.313 285 V C 1.309 177.354 176.094 -0.082 0.000 1.393 285 V CA -0.023 62.239 62.300 -0.063 0.000 1.125 285 V CB -0.175 31.612 31.823 -0.059 0.000 1.037 285 V HN 0.377 nan 8.190 nan 0.000 0.440 286 G N 0.593 109.363 108.800 -0.050 0.000 2.175 286 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.244 286 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.244 286 G C 0.010 174.898 174.900 -0.020 0.000 0.982 286 G CA 0.198 45.274 45.100 -0.039 0.000 0.641 286 G HN 0.586 nan 8.290 nan 0.000 0.527 287 N N 0.539 119.227 118.700 -0.020 0.000 2.492 287 N HA 0.464 5.204 4.740 -0.001 0.000 0.289 287 N C 0.277 175.779 175.510 -0.013 0.000 1.133 287 N CA 0.283 53.328 53.050 -0.009 0.000 0.961 287 N CB 1.498 39.975 38.487 -0.016 0.000 1.186 287 N HN 0.231 nan 8.380 nan 0.000 0.493 288 S N 0.710 116.402 115.700 -0.013 0.000 2.555 288 S HA 0.091 4.560 4.470 -0.001 0.000 0.293 288 S C 1.395 175.969 174.600 -0.043 0.000 1.248 288 S CA -0.190 57.982 58.200 -0.047 0.000 1.096 288 S CB 0.067 63.241 63.200 -0.042 0.000 0.881 288 S HN 0.571 nan 8.310 nan 0.000 0.498 289 A N 6.632 129.403 122.820 -0.082 0.000 1.842 289 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 289 A C 2.183 179.709 177.584 -0.097 0.000 1.206 289 A CA 1.937 53.926 52.037 -0.080 0.000 0.630 289 A CB -0.690 18.245 19.000 -0.108 0.000 0.839 289 A HN 0.937 nan 8.150 nan 0.000 0.447 290 R N -0.732 119.638 120.500 -0.216 0.000 2.148 290 R HA 0.019 4.358 4.340 -0.001 0.000 0.223 290 R C 2.299 178.546 176.300 -0.087 0.000 1.088 290 R CA 0.870 56.792 56.100 -0.296 0.000 0.985 290 R CB -0.591 29.199 30.300 -0.851 0.000 0.880 290 R HN 0.555 nan 8.270 nan 0.000 0.451 291 G N 0.398 109.184 108.800 -0.024 0.000 2.421 291 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 291 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 291 G C 1.440 176.452 174.900 0.186 0.000 1.171 291 G CA 0.659 45.841 45.100 0.136 0.000 0.775 291 G HN 0.153 nan 8.290 nan 0.000 0.543 292 V N 0.248 120.261 119.914 0.165 0.000 2.358 292 V HA -0.090 4.030 4.120 -0.001 0.000 0.246 292 V C 2.760 178.980 176.094 0.210 0.000 1.047 292 V CA 1.502 63.974 62.300 0.287 0.000 1.035 292 V CB -0.217 31.762 31.823 0.260 0.000 0.658 292 V HN 0.308 nan 8.190 nan 0.000 0.452 293 L N 0.483 121.774 121.223 0.113 0.000 2.017 293 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 293 L C 2.518 179.445 176.870 0.095 0.000 1.073 293 L CA 2.379 57.261 54.840 0.070 0.000 0.745 293 L CB -1.103 40.967 42.059 0.019 0.000 0.894 293 L HN 0.277 nan 8.230 nan 0.000 0.432 294 A N -1.646 121.268 122.820 0.157 0.000 1.908 294 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 294 A C 2.439 180.113 177.584 0.150 0.000 1.181 294 A CA 1.933 54.084 52.037 0.190 0.000 0.627 294 A CB -1.417 17.759 19.000 0.295 0.000 0.818 294 A HN 0.599 nan 8.150 nan 0.000 0.445 295 C N -1.403 117.994 119.300 0.162 0.000 2.432 295 C HA -0.056 4.403 4.460 -0.001 0.000 0.277 295 C C 2.790 177.776 174.990 -0.008 0.000 1.249 295 C CA 1.207 60.300 59.018 0.123 0.000 1.725 295 C CB -1.269 26.610 27.740 0.232 0.000 2.028 295 C HN 0.741 nan 8.230 nan 0.000 0.477 296 R N 0.521 120.984 120.500 -0.060 0.000 2.105 296 R HA -0.118 4.222 4.340 -0.001 0.000 0.239 296 R C 2.428 178.701 176.300 -0.045 0.000 1.135 296 R CA 1.357 57.387 56.100 -0.118 0.000 0.967 296 R CB -0.165 30.076 30.300 -0.097 0.000 0.861 296 R HN 0.384 nan 8.270 nan 0.000 0.442 297 R N 0.513 121.015 120.500 0.005 0.000 2.066 297 R HA -0.075 4.264 4.340 -0.001 0.000 0.232 297 R C 2.325 178.629 176.300 0.006 0.000 1.131 297 R CA 1.248 57.358 56.100 0.016 0.000 0.955 297 R CB -0.822 29.506 30.300 0.047 0.000 0.851 297 R HN 0.326 nan 8.270 nan 0.000 0.432 298 L N 0.369 121.629 121.223 0.061 0.000 2.127 298 L HA -0.171 4.169 4.340 -0.001 0.000 0.211 298 L C 2.621 179.525 176.870 0.056 0.000 1.089 298 L CA 1.404 56.293 54.840 0.083 0.000 0.757 298 L CB -0.476 41.704 42.059 0.201 0.000 0.899 298 L HN 0.202 nan 8.230 nan 0.000 0.434 299 S N -0.300 115.417 115.700 0.028 0.000 2.368 299 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 299 S C 1.822 176.440 174.600 0.030 0.000 1.029 299 S CA 1.365 59.583 58.200 0.030 0.000 0.988 299 S CB -0.009 63.167 63.200 -0.040 0.000 0.838 299 S HN 0.472 nan 8.310 nan 0.000 0.462 300 E N 0.469 120.661 120.200 -0.013 0.000 2.051 300 E HA -0.087 4.262 4.350 -0.001 0.000 0.189 300 E C 1.748 178.316 176.600 -0.055 0.000 0.979 300 E CA 1.266 57.653 56.400 -0.023 0.000 0.803 300 E CB -0.183 29.499 29.700 -0.030 0.000 0.761 300 E HN 0.517 nan 8.360 nan 0.000 0.451 301 D N 0.071 120.384 120.400 -0.146 0.000 2.178 301 D HA -0.099 4.540 4.640 -0.001 0.000 0.202 301 D C 1.337 177.486 176.300 -0.253 0.000 0.974 301 D CA 1.081 54.909 54.000 -0.286 0.000 0.841 301 D CB -0.069 40.416 40.800 -0.525 0.000 0.953 301 D HN 0.214 nan 8.370 nan 0.000 0.478 302 F N -0.508 119.391 119.950 -0.086 0.000 2.682 302 F HA 0.298 4.825 4.527 -0.001 0.000 0.308 302 F C 0.467 176.246 175.800 -0.035 0.000 1.093 302 F CA -0.593 57.350 58.000 -0.094 0.000 1.244 302 F CB 0.548 39.473 39.000 -0.126 0.000 1.052 302 F HN -0.399 nan 8.300 nan 0.000 0.573 303 R N 1.085 121.673 120.500 0.147 0.000 3.531 303 R HA -0.181 4.159 4.340 -0.001 0.000 0.280 303 R C -0.514 175.867 176.300 0.136 0.000 1.130 303 R CA 0.169 56.335 56.100 0.111 0.000 0.757 303 R CB -2.289 28.058 30.300 0.077 0.000 1.218 303 R HN 0.312 nan 8.270 nan 0.000 0.454 304 L N 1.718 123.033 121.223 0.152 0.000 2.384 304 L HA 0.178 4.517 4.340 -0.001 0.000 0.258 304 L C 0.585 177.526 176.870 0.117 0.000 1.266 304 L CA 0.104 55.022 54.840 0.131 0.000 1.162 304 L CB -0.082 42.062 42.059 0.141 0.000 1.375 304 L HN 0.145 nan 8.230 nan 0.000 0.420 305 H N 1.623 120.709 119.070 0.027 0.000 2.600 305 H HA 0.126 4.682 4.556 -0.001 0.000 0.357 305 H C 0.343 175.683 175.328 0.019 0.000 1.106 305 H CA -0.726 55.326 56.048 0.007 0.000 1.193 305 H CB 2.345 32.101 29.762 -0.010 0.000 1.594 305 H HN 0.284 nan 8.280 nan 0.000 0.526 306 L N 3.722 124.983 121.223 0.064 0.000 2.081 306 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 306 L C 1.746 178.744 176.870 0.213 0.000 1.080 306 L CA 1.663 56.572 54.840 0.115 0.000 0.754 306 L CB -0.257 41.823 42.059 0.035 0.000 0.893 306 L HN 0.634 nan 8.230 nan 0.000 0.433 307 M N -1.274 118.577 119.600 0.418 0.000 2.628 307 M HA 0.079 4.558 4.480 -0.001 0.000 0.232 307 M C 0.084 176.426 176.300 0.070 0.000 1.128 307 M CA 0.095 55.500 55.300 0.175 0.000 1.040 307 M CB -1.413 31.239 32.600 0.086 0.000 1.608 307 M HN 0.184 nan 8.290 nan 0.000 0.507 308 D N 1.029 121.492 120.400 0.105 0.000 2.456 308 D HA 0.394 5.034 4.640 -0.001 0.000 0.219 308 D C 0.408 176.741 176.300 0.056 0.000 1.126 308 D CA -0.022 54.010 54.000 0.053 0.000 0.890 308 D CB 0.633 41.475 40.800 0.070 0.000 1.025 308 D HN 0.264 nan 8.370 nan 0.000 0.511 309 G N 2.939 111.764 108.800 0.041 0.000 2.340 309 G HA2 0.274 4.233 3.960 -0.001 0.000 0.245 309 G HA3 0.274 4.233 3.960 -0.001 0.000 0.245 309 G C -0.404 174.519 174.900 0.038 0.000 1.294 309 G CA -0.311 44.814 45.100 0.042 0.000 0.896 309 G HN 0.547 nan 8.290 nan 0.000 0.522 310 D N -0.103 120.321 120.400 0.041 0.000 2.479 310 D HA 0.465 5.105 4.640 -0.001 0.000 0.246 310 D C -0.264 176.058 176.300 0.037 0.000 1.336 310 D CA -0.438 53.583 54.000 0.035 0.000 0.967 310 D CB 1.013 41.833 40.800 0.034 0.000 1.275 310 D HN 0.510 nan 8.370 nan 0.000 0.577 311 S N 2.455 118.176 115.700 0.036 0.000 2.564 311 S HA 0.344 4.814 4.470 -0.001 0.000 0.274 311 S C 0.580 175.200 174.600 0.033 0.000 1.124 311 S CA -0.892 57.332 58.200 0.040 0.000 0.869 311 S CB 1.520 64.751 63.200 0.051 0.000 1.105 311 S HN 0.266 nan 8.310 nan 0.000 0.472 312 L N 2.974 124.216 121.223 0.032 0.000 1.990 312 L HA 0.202 4.541 4.340 -0.001 0.000 0.213 312 L C 1.789 178.672 176.870 0.021 0.000 1.072 312 L CA 3.110 57.965 54.840 0.025 0.000 0.755 312 L CB -1.638 40.435 42.059 0.023 0.000 0.889 312 L HN 1.459 nan 8.230 nan 0.000 0.432 313 G N -1.560 107.251 108.800 0.019 0.000 2.611 313 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.301 313 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.301 313 G C 0.990 175.888 174.900 -0.003 0.000 1.233 313 G CA 0.449 45.555 45.100 0.009 0.000 0.993 313 G HN 0.917 nan 8.290 nan 0.000 0.553 314 G N -1.136 107.665 108.800 0.001 0.000 2.559 314 G HA2 0.180 4.139 3.960 -0.001 0.000 0.216 314 G HA3 0.180 4.139 3.960 -0.001 0.000 0.216 314 G C 1.615 176.521 174.900 0.011 0.000 1.126 314 G CA 2.048 47.148 45.100 -0.000 0.000 0.778 314 G HN 1.063 nan 8.290 nan 0.000 0.543 315 T N 1.352 115.916 114.554 0.017 0.000 3.051 315 T HA 0.120 4.469 4.350 -0.001 0.000 0.269 315 T C 2.639 177.356 174.700 0.028 0.000 1.127 315 T CA 0.813 62.929 62.100 0.028 0.000 1.107 315 T CB -0.078 68.806 68.868 0.028 0.000 0.898 315 T HN 0.367 nan 8.240 nan 0.000 0.517 316 A N 1.017 123.845 122.820 0.013 0.000 2.076 316 A HA 0.035 4.354 4.320 -0.001 0.000 0.220 316 A C 1.259 178.848 177.584 0.008 0.000 1.160 316 A CA 0.749 52.790 52.037 0.006 0.000 0.653 316 A CB -0.358 18.633 19.000 -0.015 0.000 0.801 316 A HN 0.371 nan 8.150 nan 0.000 0.455 317 V N 0.760 120.682 119.914 0.013 0.000 2.304 317 V HA 0.170 4.289 4.120 -0.001 0.000 0.262 317 V C 1.412 177.543 176.094 0.062 0.000 1.061 317 V CA -0.265 62.044 62.300 0.015 0.000 0.872 317 V CB 0.558 32.385 31.823 0.006 0.000 1.077 317 V HN 0.617 nan 8.190 nan 0.000 0.480 318 R N 4.123 124.676 120.500 0.088 0.000 2.091 318 R HA -0.048 4.291 4.340 -0.001 0.000 0.238 318 R C 0.184 176.717 176.300 0.389 0.000 1.136 318 R CA 1.806 58.040 56.100 0.223 0.000 0.959 318 R CB 0.219 30.698 30.300 0.298 0.000 0.856 318 R HN 0.698 nan 8.270 nan 0.000 0.437 319 F N -4.642 115.343 119.950 0.060 0.000 2.767 319 F HA 0.340 4.866 4.527 -0.001 0.000 0.317 319 F C -1.856 173.998 175.800 0.090 0.000 1.119 319 F CA -1.596 56.430 58.000 0.042 0.000 0.971 319 F CB 0.827 39.820 39.000 -0.011 0.000 1.251 319 F HN -0.356 nan 8.300 nan 0.000 0.450 320 V N 2.278 122.285 119.914 0.154 0.000 2.384 320 V HA 0.553 4.672 4.120 -0.001 0.000 0.287 320 V C -0.767 175.453 176.094 0.211 0.000 1.020 320 V CA -0.501 61.855 62.300 0.095 0.000 0.850 320 V CB 1.427 33.291 31.823 0.069 0.000 0.987 320 V HN 0.680 nan 8.190 nan 0.000 0.436 321 E N 3.695 124.046 120.200 0.251 0.000 2.145 321 E HA 0.349 4.698 4.350 -0.001 0.000 0.262 321 E C -0.491 176.292 176.600 0.306 0.000 0.883 321 E CA -0.951 55.628 56.400 0.299 0.000 0.748 321 E CB 2.034 31.940 29.700 0.343 0.000 1.140 321 E HN 0.486 nan 8.360 nan 0.000 0.417 322 R N 2.904 123.523 120.500 0.199 0.000 2.593 322 R HA 0.061 4.401 4.340 -0.001 0.000 0.282 322 R C 1.015 177.421 176.300 0.177 0.000 1.300 322 R CA 0.049 56.248 56.100 0.166 0.000 1.221 322 R CB -0.293 30.065 30.300 0.097 0.000 1.157 322 R HN 0.566 nan 8.270 nan 0.000 0.555 323 E N 1.816 122.184 120.200 0.279 0.000 2.007 323 E HA -0.113 4.237 4.350 -0.001 0.000 0.194 323 E C 0.415 177.101 176.600 0.144 0.000 0.999 323 E CA 1.785 58.323 56.400 0.230 0.000 0.811 323 E CB 0.216 30.166 29.700 0.417 0.000 0.762 323 E HN 0.733 nan 8.360 nan 0.000 0.450 324 G N -0.077 108.805 108.800 0.136 0.000 3.125 324 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.136 324 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.136 324 G C 0.367 175.301 174.900 0.056 0.000 1.411 324 G CA 0.534 45.683 45.100 0.081 0.000 1.130 324 G HN 0.334 nan 8.290 nan 0.000 0.701 325 D N 0.654 121.080 120.400 0.044 0.000 2.354 325 D HA 0.125 4.765 4.640 -0.001 0.000 0.209 325 D C 1.040 177.333 176.300 -0.012 0.000 1.015 325 D CA -0.008 54.000 54.000 0.014 0.000 0.867 325 D CB 0.056 40.861 40.800 0.008 0.000 0.933 325 D HN 0.606 nan 8.370 nan 0.000 0.520 326 R N -0.406 120.086 120.500 -0.014 0.000 2.740 326 R HA 0.709 5.049 4.340 -0.001 0.000 0.282 326 R C -1.184 175.047 176.300 -0.116 0.000 0.969 326 R CA -1.094 54.935 56.100 -0.117 0.000 0.918 326 R CB 2.000 32.159 30.300 -0.236 0.000 1.175 326 R HN -0.181 nan 8.270 nan 0.000 0.464 327 V N 2.258 122.056 119.914 -0.194 0.000 2.483 327 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 327 V C -0.895 175.048 176.094 -0.252 0.000 1.035 327 V CA -0.670 61.575 62.300 -0.091 0.000 0.896 327 V CB 1.114 32.910 31.823 -0.044 0.000 0.986 327 V HN 0.552 nan 8.190 nan 0.000 0.447 328 F N 4.795 124.755 119.950 0.016 0.000 2.411 328 F HA 0.615 5.141 4.527 -0.001 0.000 0.352 328 F C -0.225 175.541 175.800 -0.056 0.000 1.123 328 F CA -0.651 57.353 58.000 0.007 0.000 1.044 328 F CB 1.583 40.661 39.000 0.130 0.000 1.135 328 F HN 0.258 nan 8.300 nan 0.000 0.461 329 L N 5.107 126.314 121.223 -0.028 0.000 2.316 329 L HA 0.468 4.808 4.340 -0.001 0.000 0.280 329 L C -1.151 175.567 176.870 -0.253 0.000 1.006 329 L CA -0.591 54.177 54.840 -0.121 0.000 0.836 329 L CB 0.183 42.177 42.059 -0.109 0.000 1.221 329 L HN 0.468 nan 8.230 nan 0.000 0.418 330 H N 4.859 123.647 119.070 -0.470 0.000 2.488 330 H HA 0.636 5.191 4.556 -0.001 0.000 0.322 330 H C -0.569 174.629 175.328 -0.216 0.000 1.078 330 H CA -0.244 55.564 56.048 -0.400 0.000 1.260 330 H CB 1.211 30.543 29.762 -0.718 0.000 1.425 330 H HN 0.513 nan 8.280 nan 0.000 0.471 331 L N 2.869 124.068 121.223 -0.039 0.000 2.332 331 L HA 0.567 4.906 4.340 -0.001 0.000 0.269 331 L C -0.118 176.773 176.870 0.033 0.000 1.016 331 L CA -0.851 53.983 54.840 -0.010 0.000 0.809 331 L CB 1.590 43.627 42.059 -0.037 0.000 1.280 331 L HN 0.707 nan 8.230 nan 0.000 0.447 332 Q N 0.169 119.989 119.800 0.034 0.000 2.687 332 Q HA 0.655 4.994 4.340 -0.001 0.000 0.295 332 Q C -0.324 175.695 176.000 0.032 0.000 0.920 332 Q CA -0.421 55.409 55.803 0.045 0.000 0.766 332 Q CB 2.092 30.872 28.738 0.070 0.000 1.467 332 Q HN 0.816 nan 8.270 nan 0.000 0.415 333 G N -0.372 108.448 108.800 0.033 0.000 2.693 333 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.226 333 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.226 333 G C -0.847 174.067 174.900 0.022 0.000 1.354 333 G CA -0.397 44.720 45.100 0.027 0.000 0.873 333 G HN 0.973 nan 8.290 nan 0.000 0.562 334 V N 1.212 121.139 119.914 0.023 0.000 2.339 334 V HA 0.379 4.498 4.120 -0.001 0.000 0.261 334 V C 0.956 177.063 176.094 0.021 0.000 1.058 334 V CA -0.140 62.173 62.300 0.022 0.000 0.897 334 V CB 0.595 32.434 31.823 0.026 0.000 1.052 334 V HN 0.534 nan 8.190 nan 0.000 0.480 335 I N 6.826 127.404 120.570 0.014 0.000 2.322 335 I HA 0.383 4.552 4.170 -0.001 0.000 0.292 335 I C 0.800 176.927 176.117 0.017 0.000 1.060 335 I CA 0.104 61.408 61.300 0.007 0.000 1.309 335 I CB 0.210 38.206 38.000 -0.007 0.000 1.415 335 I HN 0.612 nan 8.210 nan 0.000 0.492 336 R N 3.808 124.326 120.500 0.029 0.000 3.307 336 R HA 0.374 4.713 4.340 -0.001 0.000 0.227 336 R C 0.848 177.193 176.300 0.074 0.000 1.645 336 R CA -0.799 55.339 56.100 0.065 0.000 1.015 336 R CB 0.230 30.582 30.300 0.086 0.000 1.832 336 R HN 0.364 nan 8.270 nan 0.000 0.533 337 F N 1.727 121.679 119.950 0.003 0.000 2.063 337 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 337 F C 2.002 177.804 175.800 0.004 0.000 1.109 337 F CA 2.494 60.495 58.000 0.002 0.000 1.212 337 F CB -0.848 38.153 39.000 0.002 0.000 0.973 337 F HN 0.675 nan 8.300 nan 0.000 0.480 338 G N -0.651 108.208 108.800 0.097 0.000 2.513 338 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.219 338 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.219 338 G C 1.870 176.704 174.900 -0.110 0.000 1.160 338 G CA 0.919 46.020 45.100 0.002 0.000 0.767 338 G HN 0.684 nan 8.290 nan 0.000 0.571 339 G N 0.795 109.552 108.800 -0.072 0.000 2.394 339 G HA2 0.145 4.104 3.960 -0.001 0.000 0.214 339 G HA3 0.145 4.104 3.960 -0.001 0.000 0.214 339 G C 2.091 176.919 174.900 -0.120 0.000 1.176 339 G CA 1.397 46.455 45.100 -0.071 0.000 0.786 339 G HN 0.661 nan 8.290 nan 0.000 0.533 340 A N 0.846 123.575 122.820 -0.151 0.000 1.892 340 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 340 A C 2.191 179.633 177.584 -0.236 0.000 1.188 340 A CA 2.180 54.117 52.037 -0.168 0.000 0.631 340 A CB -0.521 18.387 19.000 -0.154 0.000 0.822 340 A HN 0.360 nan 8.150 nan 0.000 0.447 341 E N 0.400 120.351 120.200 -0.415 0.000 2.118 341 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 341 E C 2.141 178.613 176.600 -0.213 0.000 0.992 341 E CA 1.445 57.599 56.400 -0.410 0.000 0.804 341 E CB -0.355 28.936 29.700 -0.683 0.000 0.741 341 E HN 0.489 nan 8.360 nan 0.000 0.458 342 A N 0.526 123.244 122.820 -0.171 0.000 1.930 342 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 342 A C 2.542 180.080 177.584 -0.077 0.000 1.175 342 A CA 1.378 53.358 52.037 -0.095 0.000 0.627 342 A CB -0.519 18.441 19.000 -0.067 0.000 0.815 342 A HN 0.190 nan 8.150 nan 0.000 0.443 343 V N 0.124 119.987 119.914 -0.086 0.000 2.427 343 V HA -0.222 3.898 4.120 -0.001 0.000 0.248 343 V C 2.497 178.549 176.094 -0.069 0.000 1.051 343 V CA 1.721 63.980 62.300 -0.069 0.000 1.048 343 V CB -0.766 31.015 31.823 -0.071 0.000 0.666 343 V HN 0.554 nan 8.190 nan 0.000 0.456 344 L N 0.150 121.322 121.223 -0.084 0.000 2.093 344 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 344 L C 2.351 179.187 176.870 -0.056 0.000 1.085 344 L CA 2.004 56.802 54.840 -0.071 0.000 0.755 344 L CB -0.599 41.408 42.059 -0.085 0.000 0.904 344 L HN 0.416 nan 8.230 nan 0.000 0.435 345 D N 0.010 120.375 120.400 -0.058 0.000 2.117 345 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 345 D C 2.169 178.451 176.300 -0.030 0.000 0.987 345 D CA 1.303 55.279 54.000 -0.040 0.000 0.829 345 D CB 0.170 40.947 40.800 -0.038 0.000 0.961 345 D HN 0.249 nan 8.370 nan 0.000 0.460 346 A N 0.175 122.975 122.820 -0.032 0.000 1.877 346 A HA -0.109 4.211 4.320 -0.001 0.000 0.216 346 A C 2.405 179.974 177.584 -0.025 0.000 1.186 346 A CA 1.228 53.251 52.037 -0.024 0.000 0.620 346 A CB -0.899 18.085 19.000 -0.026 0.000 0.822 346 A HN 0.369 nan 8.150 nan 0.000 0.443 347 L N -0.772 120.430 121.223 -0.034 0.000 2.017 347 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 347 L C 2.777 179.630 176.870 -0.027 0.000 1.073 347 L CA 1.857 56.676 54.840 -0.035 0.000 0.745 347 L CB -1.102 40.932 42.059 -0.041 0.000 0.894 347 L HN 0.346 nan 8.230 nan 0.000 0.432 348 T N -1.229 113.310 114.554 -0.025 0.000 2.833 348 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 348 T C 1.189 175.880 174.700 -0.014 0.000 1.054 348 T CA 1.258 63.346 62.100 -0.019 0.000 1.135 348 T CB -0.290 68.567 68.868 -0.018 0.000 0.869 348 T HN 0.257 nan 8.240 nan 0.000 0.466 349 D N 0.886 121.278 120.400 -0.013 0.000 2.390 349 D HA 0.097 4.737 4.640 -0.001 0.000 0.235 349 D C 0.154 176.451 176.300 -0.005 0.000 1.040 349 D CA 0.348 54.344 54.000 -0.007 0.000 0.923 349 D CB -0.277 40.520 40.800 -0.004 0.000 0.886 349 D HN 0.392 nan 8.370 nan 0.000 0.532 350 L N 0.773 121.991 121.223 -0.009 0.000 2.322 350 L HA 0.377 4.716 4.340 -0.001 0.000 0.279 350 L C 0.490 177.355 176.870 -0.009 0.000 1.036 350 L CA -1.013 53.822 54.840 -0.008 0.000 0.807 350 L CB 1.442 43.493 42.059 -0.015 0.000 1.226 350 L HN -0.388 nan 8.230 nan 0.000 0.433 351 R N 1.837 122.333 120.500 -0.006 0.000 2.325 351 R HA 0.178 4.518 4.340 -0.001 0.000 0.323 351 R C 0.410 176.704 176.300 -0.010 0.000 1.177 351 R CA -0.142 55.954 56.100 -0.006 0.000 1.018 351 R CB -0.206 30.093 30.300 -0.003 0.000 1.070 351 R HN 0.686 nan 8.270 nan 0.000 0.495 352 T N -1.330 113.217 114.554 -0.012 0.000 3.487 352 T HA 0.486 4.836 4.350 -0.001 0.000 0.287 352 T C 0.426 175.118 174.700 -0.013 0.000 1.004 352 T CA -0.244 61.847 62.100 -0.015 0.000 0.977 352 T CB 0.646 69.501 68.868 -0.021 0.000 1.180 352 T HN 0.517 nan 8.240 nan 0.000 0.490 405 R N 1.733 122.211 120.500 -0.036 0.000 2.446 405 R HA 0.431 4.770 4.340 -0.001 0.000 0.254 405 R C -0.454 175.812 176.300 -0.056 0.000 0.918 405 R CA -0.028 56.048 56.100 -0.039 0.000 1.069 405 R CB 1.303 31.586 30.300 -0.028 0.000 1.194 405 R HN 0.475 nan 8.270 nan 0.000 0.534 406 T N 0.988 115.493 114.554 -0.081 0.000 3.041 406 T HA 0.371 4.720 4.350 -0.001 0.000 0.321 406 T C -1.454 173.146 174.700 -0.167 0.000 1.184 406 T CA -0.460 61.572 62.100 -0.114 0.000 1.050 406 T CB 2.717 71.512 68.868 -0.121 0.000 1.159 406 T HN -0.074 nan 8.240 nan 0.000 0.469 407 V N 3.024 122.841 119.914 -0.162 0.000 2.495 407 V HA 0.656 4.775 4.120 -0.001 0.000 0.298 407 V C -0.489 175.477 176.094 -0.214 0.000 1.031 407 V CA -0.735 61.451 62.300 -0.190 0.000 0.871 407 V CB 2.022 33.769 31.823 -0.126 0.000 0.988 407 V HN 0.729 nan 8.190 nan 0.000 0.432 408 V N 6.006 125.749 119.914 -0.286 0.000 2.378 408 V HA 0.433 4.553 4.120 -0.001 0.000 0.288 408 V C -0.208 175.767 176.094 -0.197 0.000 1.016 408 V CA -0.480 61.674 62.300 -0.244 0.000 0.840 408 V CB 1.631 33.265 31.823 -0.316 0.000 0.994 408 V HN 0.634 nan 8.190 nan 0.000 0.431 409 L N 5.035 126.162 121.223 -0.161 0.000 2.261 409 L HA 0.426 4.766 4.340 -0.001 0.000 0.289 409 L C 0.404 177.158 176.870 -0.194 0.000 1.059 409 L CA -0.043 54.699 54.840 -0.165 0.000 0.816 409 L CB 0.704 42.692 42.059 -0.117 0.000 1.191 409 L HN 0.606 nan 8.230 nan 0.000 0.431 410 N N 4.979 123.491 118.700 -0.313 0.000 2.439 410 N HA 0.238 4.977 4.740 -0.001 0.000 0.249 410 N C 0.059 175.453 175.510 -0.194 0.000 1.003 410 N CA -0.316 52.526 53.050 -0.347 0.000 0.942 410 N CB 1.320 39.284 38.487 -0.872 0.000 1.115 410 N HN 0.606 nan 8.380 nan 0.000 0.505 411 L N 2.722 123.884 121.223 -0.101 0.000 2.818 411 L HA 0.264 4.603 4.340 -0.001 0.000 0.243 411 L C 1.952 178.815 176.870 -0.011 0.000 1.185 411 L CA -0.158 54.653 54.840 -0.049 0.000 0.988 411 L CB 0.050 42.085 42.059 -0.040 0.000 1.292 411 L HN 0.474 nan 8.230 nan 0.000 0.519 412 A N 0.603 123.425 122.820 0.003 0.000 1.902 412 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 412 A C 2.237 179.852 177.584 0.052 0.000 1.181 412 A CA 1.224 53.283 52.037 0.037 0.000 0.623 412 A CB -0.185 18.854 19.000 0.064 0.000 0.818 412 A HN 0.279 nan 8.150 nan 0.000 0.443 413 R N -0.417 120.126 120.500 0.072 0.000 2.313 413 R HA 0.129 4.468 4.340 -0.001 0.000 0.199 413 R C -0.016 176.314 176.300 0.050 0.000 0.958 413 R CA 0.064 56.209 56.100 0.076 0.000 1.047 413 R CB -0.696 29.673 30.300 0.116 0.000 0.955 413 R HN 0.354 nan 8.270 nan 0.000 0.481 414 V N 2.433 122.367 119.914 0.033 0.000 2.530 414 V HA -0.004 4.116 4.120 -0.001 0.000 0.282 414 V C 1.092 177.199 176.094 0.021 0.000 1.048 414 V CA 0.103 62.416 62.300 0.021 0.000 0.997 414 V CB 1.458 33.285 31.823 0.007 0.000 0.987 414 V HN 0.115 nan 8.190 nan 0.000 0.477 415 D N 3.917 124.330 120.400 0.022 0.000 2.213 415 D HA 0.064 4.704 4.640 -0.001 0.000 0.205 415 D C 0.926 177.237 176.300 0.017 0.000 0.961 415 D CA 0.738 54.750 54.000 0.021 0.000 0.853 415 D CB 0.503 41.317 40.800 0.023 0.000 0.967 415 D HN 0.743 nan 8.370 nan 0.000 0.496 416 R N -0.929 119.580 120.500 0.016 0.000 2.829 416 R HA 0.500 4.840 4.340 -0.001 0.000 0.284 416 R C -2.028 174.279 176.300 0.012 0.000 1.006 416 R CA -0.732 55.376 56.100 0.014 0.000 0.844 416 R CB 0.724 31.034 30.300 0.017 0.000 1.309 416 R HN -0.018 nan 8.270 nan 0.000 0.494 417 I N 1.809 122.385 120.570 0.012 0.000 2.743 417 I HA 0.255 4.425 4.170 -0.001 0.000 0.292 417 I C -1.475 174.651 176.117 0.015 0.000 1.343 417 I CA -0.701 60.606 61.300 0.011 0.000 1.038 417 I CB 2.169 40.170 38.000 0.002 0.000 1.311 417 I HN 0.890 nan 8.210 nan 0.000 0.426 418 D N 5.150 125.563 120.400 0.021 0.000 2.423 418 D HA 0.119 4.758 4.640 -0.001 0.000 0.255 418 D C 0.430 176.743 176.300 0.022 0.000 1.174 418 D CA -0.170 53.844 54.000 0.024 0.000 1.008 418 D CB 0.920 41.739 40.800 0.032 0.000 1.101 418 D HN 0.457 nan 8.370 nan 0.000 0.516 419 D N -0.202 120.209 120.400 0.020 0.000 2.158 419 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 419 D C 2.040 178.355 176.300 0.026 0.000 0.995 419 D CA 1.018 55.028 54.000 0.017 0.000 0.846 419 D CB 0.092 40.899 40.800 0.012 0.000 0.941 419 D HN 0.206 nan 8.370 nan 0.000 0.456 420 V N 0.869 120.808 119.914 0.042 0.000 2.343 420 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 420 V C 2.571 178.699 176.094 0.057 0.000 1.051 420 V CA 1.990 64.331 62.300 0.069 0.000 1.036 420 V CB -0.824 31.069 31.823 0.116 0.000 0.654 420 V HN 0.227 nan 8.190 nan 0.000 0.451 421 G N -0.320 108.503 108.800 0.039 0.000 2.394 421 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.215 421 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.215 421 G C 1.747 176.645 174.900 -0.003 0.000 1.165 421 G CA 0.473 45.578 45.100 0.009 0.000 0.784 421 G HN 0.426 nan 8.290 nan 0.000 0.535 422 R N 0.131 120.632 120.500 0.003 0.000 2.070 422 R HA 0.026 4.366 4.340 -0.001 0.000 0.233 422 R C 2.811 179.108 176.300 -0.004 0.000 1.137 422 R CA 1.191 57.289 56.100 -0.004 0.000 0.945 422 R CB -0.326 29.974 30.300 -0.001 0.000 0.845 422 R HN 0.229 nan 8.270 nan 0.000 0.430 423 R N 0.682 121.185 120.500 0.004 0.000 2.091 423 R HA -0.119 4.220 4.340 -0.001 0.000 0.238 423 R C 2.426 178.727 176.300 0.001 0.000 1.136 423 R CA 1.304 57.407 56.100 0.005 0.000 0.959 423 R CB -0.531 29.777 30.300 0.014 0.000 0.856 423 R HN 0.247 nan 8.270 nan 0.000 0.437 424 L N 0.399 121.624 121.223 0.003 0.000 2.027 424 L HA -0.171 4.168 4.340 -0.001 0.000 0.206 424 L C 2.487 179.339 176.870 -0.029 0.000 1.074 424 L CA 1.284 56.117 54.840 -0.012 0.000 0.745 424 L CB -0.328 41.714 42.059 -0.028 0.000 0.898 424 L HN 0.183 nan 8.230 nan 0.000 0.433 425 I N -0.313 120.237 120.570 -0.033 0.000 2.252 425 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 425 I C 2.753 178.850 176.117 -0.033 0.000 1.102 425 I CA 1.017 62.293 61.300 -0.040 0.000 1.385 425 I CB -0.340 37.636 38.000 -0.041 0.000 1.064 425 I HN 0.187 nan 8.210 nan 0.000 0.414 426 A N 0.410 123.215 122.820 -0.025 0.000 1.940 426 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 426 A C 2.186 179.757 177.584 -0.021 0.000 1.176 426 A CA 2.131 54.154 52.037 -0.022 0.000 0.631 426 A CB -0.494 18.497 19.000 -0.016 0.000 0.814 426 A HN 0.435 nan 8.150 nan 0.000 0.446 427 E N 0.086 120.274 120.200 -0.019 0.000 2.107 427 E HA -0.010 4.339 4.350 -0.001 0.000 0.191 427 E C 1.930 178.517 176.600 -0.022 0.000 0.982 427 E CA 1.454 57.844 56.400 -0.016 0.000 0.809 427 E CB -0.811 28.883 29.700 -0.010 0.000 0.756 427 E HN 0.369 nan 8.360 nan 0.000 0.459 428 G N -0.122 108.661 108.800 -0.029 0.000 2.443 428 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 428 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 428 G C 1.605 176.483 174.900 -0.035 0.000 1.131 428 G CA 0.923 46.003 45.100 -0.034 0.000 0.775 428 G HN 0.249 nan 8.290 nan 0.000 0.547 429 V N 0.565 120.458 119.914 -0.036 0.000 2.407 429 V HA -0.070 4.050 4.120 -0.001 0.000 0.245 429 V C 2.742 178.817 176.094 -0.032 0.000 1.041 429 V CA 1.727 64.005 62.300 -0.038 0.000 1.040 429 V CB -0.397 31.403 31.823 -0.039 0.000 0.671 429 V HN 0.385 nan 8.190 nan 0.000 0.455 430 R N 0.591 121.075 120.500 -0.026 0.000 2.083 430 R HA -0.195 4.144 4.340 -0.001 0.000 0.237 430 R C 2.498 178.785 176.300 -0.022 0.000 1.137 430 R CA 1.908 57.995 56.100 -0.022 0.000 0.951 430 R CB -0.236 30.054 30.300 -0.017 0.000 0.851 430 R HN 0.441 nan 8.270 nan 0.000 0.434 431 R N 0.260 120.747 120.500 -0.022 0.000 2.096 431 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 431 R C 2.521 178.807 176.300 -0.023 0.000 1.127 431 R CA 1.281 57.369 56.100 -0.020 0.000 0.968 431 R CB -0.388 29.900 30.300 -0.019 0.000 0.861 431 R HN 0.293 nan 8.270 nan 0.000 0.440 432 L N 0.995 122.201 121.223 -0.029 0.000 2.017 432 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 432 L C 2.559 179.411 176.870 -0.031 0.000 1.073 432 L CA 1.564 56.384 54.840 -0.033 0.000 0.745 432 L CB -0.346 41.688 42.059 -0.041 0.000 0.894 432 L HN 0.282 nan 8.230 nan 0.000 0.432 433 Q N -0.597 119.184 119.800 -0.031 0.000 2.135 433 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 433 Q C 2.270 178.256 176.000 -0.023 0.000 0.981 433 Q CA 1.554 57.339 55.803 -0.029 0.000 0.856 433 Q CB -0.299 28.422 28.738 -0.028 0.000 0.902 433 Q HN 0.563 nan 8.270 nan 0.000 0.425 434 A N 1.281 124.088 122.820 -0.021 0.000 2.070 434 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 434 A C 1.276 178.850 177.584 -0.016 0.000 1.159 434 A CA 1.253 53.280 52.037 -0.017 0.000 0.656 434 A CB -0.115 18.876 19.000 -0.015 0.000 0.800 434 A HN 0.207 nan 8.150 nan 0.000 0.453 435 D N -0.677 119.712 120.400 -0.019 0.000 2.319 435 D HA 0.236 4.876 4.640 -0.001 0.000 0.230 435 D C 1.234 177.523 176.300 -0.019 0.000 1.094 435 D CA 0.927 54.917 54.000 -0.018 0.000 0.856 435 D CB -0.137 40.651 40.800 -0.019 0.000 0.915 435 D HN 0.557 nan 8.370 nan 0.000 0.517 436 G N 0.614 109.403 108.800 -0.019 0.000 2.160 436 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.251 436 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.251 436 G C 0.327 175.213 174.900 -0.024 0.000 1.008 436 G CA 0.141 45.229 45.100 -0.020 0.000 0.724 436 G HN 0.285 nan 8.290 nan 0.000 0.514 437 V N 0.449 120.346 119.914 -0.029 0.000 2.472 437 V HA 0.528 4.647 4.120 -0.001 0.000 0.290 437 V C 0.988 177.056 176.094 -0.043 0.000 1.037 437 V CA -0.904 61.374 62.300 -0.037 0.000 0.908 437 V CB 1.749 33.547 31.823 -0.041 0.000 0.985 437 V HN 0.457 nan 8.190 nan 0.000 0.454 438 R N 3.218 123.688 120.500 -0.050 0.000 2.298 438 R HA 0.538 4.878 4.340 -0.001 0.000 0.310 438 R C -1.437 174.821 176.300 -0.070 0.000 1.068 438 R CA -0.193 55.874 56.100 -0.055 0.000 0.957 438 R CB 1.009 31.276 30.300 -0.055 0.000 1.003 438 R HN 0.538 nan 8.270 nan 0.000 0.454 439 V N 5.777 125.652 119.914 -0.064 0.000 2.407 439 V HA 0.207 4.327 4.120 -0.001 0.000 0.291 439 V C -0.668 175.383 176.094 -0.071 0.000 1.018 439 V CA -0.686 61.569 62.300 -0.075 0.000 0.842 439 V CB 1.569 33.353 31.823 -0.064 0.000 0.996 439 V HN 0.860 nan 8.190 nan 0.000 0.426 440 E N 4.617 124.766 120.200 -0.086 0.000 2.155 440 E HA 0.587 4.937 4.350 -0.001 0.000 0.264 440 E C -1.251 175.301 176.600 -0.079 0.000 0.886 440 E CA -0.819 55.537 56.400 -0.073 0.000 0.752 440 E CB 2.178 31.835 29.700 -0.071 0.000 1.133 440 E HN 0.314 nan 8.360 nan 0.000 0.414 441 V N 3.679 123.555 119.914 -0.063 0.000 2.339 441 V HA 0.059 4.178 4.120 -0.001 0.000 0.261 441 V C 0.104 176.166 176.094 -0.054 0.000 1.058 441 V CA -0.428 61.833 62.300 -0.064 0.000 0.897 441 V CB 0.130 31.921 31.823 -0.053 0.000 1.052 441 V HN 0.693 nan 8.190 nan 0.000 0.480 442 E N 4.039 124.202 120.200 -0.063 0.000 1.893 442 E HA 0.159 4.509 4.350 -0.001 0.000 0.269 442 E C -0.466 176.108 176.600 -0.043 0.000 1.129 442 E CA -0.144 56.230 56.400 -0.043 0.000 0.904 442 E CB 0.603 30.280 29.700 -0.039 0.000 1.077 442 E HN 0.576 nan 8.360 nan 0.000 0.407 443 D N 5.080 125.463 120.400 -0.029 0.000 2.446 443 D HA 0.112 4.751 4.640 -0.001 0.000 0.251 443 D C -1.381 174.912 176.300 -0.010 0.000 1.137 443 D CA -2.118 51.869 54.000 -0.022 0.000 0.890 443 D CB 1.309 42.095 40.800 -0.024 0.000 1.071 443 D HN 0.175 nan 8.370 nan 0.000 0.528 444 P HA -0.125 nan 4.420 nan 0.000 0.205 444 P C -0.176 177.125 177.300 0.002 0.000 1.181 444 P CA 0.927 64.029 63.100 0.003 0.000 0.933 444 P CB 0.219 31.925 31.700 0.010 0.000 0.775 445 E N 1.341 121.543 120.200 0.004 0.000 1.802 445 E HA 0.112 4.461 4.350 -0.001 0.000 0.265 445 E C -0.207 176.393 176.600 0.000 0.000 1.168 445 E CA -0.276 56.126 56.400 0.003 0.000 1.033 445 E CB -0.414 29.289 29.700 0.006 0.000 1.095 445 E HN 0.215 nan 8.360 nan 0.000 0.436 446 R N 2.502 123.001 120.500 -0.002 0.000 4.591 446 R HA -0.179 4.160 4.340 -0.001 0.000 0.174 446 R C 0.602 176.900 176.300 -0.003 0.000 0.321 446 R CA 0.360 56.458 56.100 -0.004 0.000 0.916 446 R CB -0.594 29.703 30.300 -0.004 0.000 0.952 446 R HN 0.603 nan 8.270 nan 0.000 0.264 447 I N 1.406 121.973 120.570 -0.005 0.000 3.883 447 I HA -0.046 4.124 4.170 -0.001 0.000 0.305 447 I C 1.226 177.339 176.117 -0.006 0.000 1.247 447 I CA -0.268 61.030 61.300 -0.004 0.000 1.350 447 I CB 0.171 38.169 38.000 -0.003 0.000 1.194 447 I HN 0.389 nan 8.210 nan 0.000 0.441 448 L N 0.000 121.216 121.223 -0.011 0.000 2.949 448 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 448 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 448 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 448 L HN 0.000 nan 8.230 nan 0.000 0.502