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 2x58_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSHMAEYLRL PHSLAMIRLC NPPVNAVSPT VIREVRNGLQ KAGSDHTVKA DATA SEQUENCE IVICGANGNF CAGADIHGFS AFTPGLALGS LVDEIQRYQK PVLAAIQGVA DATA SEQUENCE LGGGLELALG CHYRIANAKA RVGLPEVTLG ILPGARGTQL LPRVVGVPVA DATA SEQUENCE LDLITSGKYL SADEALRLGI LDAVVKSDPV EEAIKFAQKI IDKPIEPRRI DATA SEQUENCE FNKPVPSLPN MDSVFAEAIA KVRKQYPGVL APETCVRSIQ ASVKHPYEVG DATA SEQUENCE IKEEEKLFMY LRASGQAKAL QYAFFAEKSA NKWSTPSGAS WKTASAQPVS DATA SEQUENCE SVGVLGLGTM GRGIAISFAR VGISVVAVES DPKQLDAAKK IITFTLEKEA DATA SEQUENCE SRAHQNGQAS AKPKLRFSSS TKELSTVDLV VEAVFEDMNL KKKVFAELSA DATA SEQUENCE LCKPGAFLCT NTSALNVDDI ASSTDRPQLV IGTHFFSPAH VMRLLEVIPS DATA SEQUENCE RYSSPTTIAT VMSLSKKIGK IGVVVGNCYG FVGNRMLAPY YNQGFFLLEE DATA SEQUENCE GSKPEDVDGV LEEFGFKMGP FRVSDLAGLD VGWKIRKGQG LTGPSLPPGT DATA SEQUENCE PVRKRGNSRY SPLGDMLCEA GRFGQKTGKG WYQYDKPLGR IHKPDPWLST DATA SEQUENCE FLSQYREVHH IEQRTISKEE ILERCLYSLI NEAFRILEEG MAARPEHIDV DATA SEQUENCE IYLHGYGWPR HKGGPMFYAA SVGLPTVLEK LQKYYRQNPD IPQLEPSDYL DATA SEQUENCE RRLVAQGSPP LKEWQSLAGP H VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 -2 G C 0.000 174.973 174.900 0.121 0.000 0.946 -2 G CA 0.000 45.169 45.100 0.116 0.000 0.502 -1 S N 0.518 116.282 115.700 0.106 0.000 2.556 -1 S HA 0.162 4.630 4.470 -0.003 0.000 0.216 -1 S C 1.425 176.113 174.600 0.147 0.000 0.970 -1 S CA 0.727 58.982 58.200 0.091 0.000 0.912 -1 S CB -0.288 62.940 63.200 0.047 0.000 0.790 -1 S HN 0.754 nan 8.310 nan 0.000 0.504 0 H N -1.345 117.730 119.070 0.008 0.000 2.517 0 H HA 0.386 4.940 4.556 -0.003 0.000 0.282 0 H C 1.703 177.032 175.328 0.002 0.000 1.023 0 H CA -0.222 55.831 56.048 0.008 0.000 1.169 0 H CB -0.054 29.711 29.762 0.005 0.000 1.454 0 H HN 0.282 nan 8.280 nan 0.000 0.556 1 M N 0.879 120.490 119.600 0.018 0.000 2.175 1 M HA 0.047 4.526 4.480 -0.003 0.000 0.264 1 M C 0.781 177.034 176.300 -0.078 0.000 1.063 1 M CA 1.113 56.369 55.300 -0.074 0.000 1.119 1 M CB 0.307 32.896 32.600 -0.018 0.000 1.377 1 M HN 0.520 nan 8.290 nan 0.000 0.415 2 A N 0.937 123.739 122.820 -0.029 0.000 3.030 2 A HA 0.346 4.664 4.320 -0.003 0.000 0.335 2 A C -0.652 176.948 177.584 0.026 0.000 1.089 2 A CA -0.529 51.494 52.037 -0.024 0.000 0.807 2 A CB 0.003 18.987 19.000 -0.027 0.000 1.099 2 A HN 0.242 nan 8.150 nan 0.000 0.474 3 E N 0.993 121.204 120.200 0.017 0.000 2.498 3 E HA 0.058 4.406 4.350 -0.003 0.000 0.252 3 E C -0.808 175.854 176.600 0.102 0.000 1.025 3 E CA 0.475 56.908 56.400 0.055 0.000 0.938 3 E CB 0.002 29.715 29.700 0.021 0.000 0.947 3 E HN 0.527 nan 8.360 nan 0.000 0.478 4 Y N 5.614 125.916 120.300 0.003 0.000 2.383 4 Y HA 0.429 4.977 4.550 -0.003 0.000 0.344 4 Y C -1.291 174.616 175.900 0.012 0.000 0.986 4 Y CA -0.985 57.118 58.100 0.005 0.000 1.175 4 Y CB 0.482 38.947 38.460 0.007 0.000 1.152 4 Y HN 0.515 nan 8.280 nan 0.000 0.511 5 L N 6.611 127.527 121.223 -0.512 0.000 2.431 5 L HA 0.539 4.878 4.340 -0.003 0.000 0.266 5 L C -1.117 175.459 176.870 -0.490 0.000 0.978 5 L CA -0.801 53.804 54.840 -0.391 0.000 0.822 5 L CB 1.811 43.772 42.059 -0.163 0.000 1.310 5 L HN 0.671 nan 8.230 nan 0.000 0.409 6 R N 2.702 122.977 120.500 -0.376 0.000 2.357 6 R HA 0.713 5.051 4.340 -0.003 0.000 0.296 6 R C -1.307 174.919 176.300 -0.123 0.000 1.052 6 R CA -0.044 55.909 56.100 -0.246 0.000 0.988 6 R CB 0.696 30.891 30.300 -0.175 0.000 1.025 6 R HN 0.619 nan 8.270 nan 0.000 0.469 7 L N 5.240 126.421 121.223 -0.071 0.000 2.286 7 L HA 0.650 4.988 4.340 -0.003 0.000 0.265 7 L C -1.911 174.953 176.870 -0.011 0.000 1.012 7 L CA -2.030 52.795 54.840 -0.026 0.000 0.818 7 L CB 1.718 43.780 42.059 0.006 0.000 1.337 7 L HN 0.721 nan 8.230 nan 0.000 0.438 8 P HA 0.108 nan 4.420 nan 0.000 0.272 8 P C -0.770 176.563 177.300 0.055 0.000 1.230 8 P CA 0.083 63.162 63.100 -0.034 0.000 0.788 8 P CB 0.258 31.939 31.700 -0.032 0.000 0.949 9 H N -0.528 118.546 119.070 0.006 0.000 2.903 9 H HA -0.139 4.415 4.556 -0.003 0.000 0.285 9 H C 0.268 175.607 175.328 0.019 0.000 1.231 9 H CA 0.679 56.734 56.048 0.013 0.000 1.135 9 H CB -2.364 27.406 29.762 0.014 0.000 1.328 9 H HN 0.428 nan 8.280 nan 0.000 0.388 10 S N -1.587 114.161 115.700 0.080 0.000 3.635 10 S HA -0.207 4.261 4.470 -0.003 0.000 0.328 10 S C 0.443 175.090 174.600 0.079 0.000 1.135 10 S CA 0.971 59.209 58.200 0.062 0.000 0.942 10 S CB -1.072 62.166 63.200 0.063 0.000 0.930 10 S HN 0.492 nan 8.310 nan 0.000 0.512 11 L N 0.101 121.372 121.223 0.081 0.000 2.387 11 L HA 0.874 5.213 4.340 -0.003 0.000 0.266 11 L C 0.416 177.319 176.870 0.055 0.000 1.059 11 L CA -0.563 54.328 54.840 0.084 0.000 0.801 11 L CB 1.270 43.382 42.059 0.088 0.000 1.223 11 L HN 0.285 nan 8.230 nan 0.000 0.456 12 A N 1.765 124.630 122.820 0.075 0.000 2.454 12 A HA 0.787 5.105 4.320 -0.003 0.000 0.302 12 A C -0.983 176.630 177.584 0.048 0.000 1.079 12 A CA -0.570 51.486 52.037 0.031 0.000 0.731 12 A CB 2.034 21.117 19.000 0.138 0.000 1.299 12 A HN 0.743 nan 8.150 nan 0.000 0.413 13 M N 1.908 121.496 119.600 -0.021 0.000 2.456 13 M HA 0.695 5.174 4.480 -0.003 0.000 0.324 13 M C -1.848 174.491 176.300 0.066 0.000 1.124 13 M CA -0.630 54.683 55.300 0.021 0.000 0.959 13 M CB 1.138 33.733 32.600 -0.008 0.000 1.692 13 M HN 0.596 nan 8.290 nan 0.000 0.444 14 I N 4.317 124.937 120.570 0.084 0.000 2.418 14 I HA 0.483 4.652 4.170 -0.003 0.000 0.287 14 I C -0.514 175.617 176.117 0.022 0.000 1.008 14 I CA -0.659 60.690 61.300 0.082 0.000 1.104 14 I CB 1.628 39.670 38.000 0.070 0.000 1.264 14 I HN 0.638 nan 8.210 nan 0.000 0.438 15 R N 7.407 127.908 120.500 0.002 0.000 2.388 15 R HA 0.497 4.836 4.340 -0.003 0.000 0.314 15 R C -1.218 175.036 176.300 -0.076 0.000 0.959 15 R CA -0.774 55.306 56.100 -0.033 0.000 0.851 15 R CB 1.362 31.650 30.300 -0.020 0.000 1.168 15 R HN 0.637 nan 8.270 nan 0.000 0.472 16 L N 3.839 124.983 121.223 -0.131 0.000 2.418 16 L HA 0.219 4.557 4.340 -0.003 0.000 0.274 16 L C 0.236 177.012 176.870 -0.155 0.000 1.135 16 L CA -0.308 54.433 54.840 -0.165 0.000 0.870 16 L CB 0.830 42.734 42.059 -0.257 0.000 1.154 16 L HN 0.521 nan 8.230 nan 0.000 0.462 17 C N 4.634 123.832 119.300 -0.171 0.000 2.521 17 C HA 0.396 4.854 4.460 -0.003 0.000 0.291 17 C C 0.118 174.988 174.990 -0.201 0.000 1.074 17 C CA -0.486 58.400 59.018 -0.221 0.000 1.495 17 C CB -0.467 27.048 27.740 -0.376 0.000 1.862 17 C HN 0.827 nan 8.230 nan 0.000 0.418 18 N N 5.200 123.823 118.700 -0.127 0.000 2.752 18 N HA 0.354 5.092 4.740 -0.003 0.000 0.260 18 N C -2.724 172.760 175.510 -0.044 0.000 1.562 18 N CA -1.250 51.754 53.050 -0.077 0.000 0.788 18 N CB 1.392 39.845 38.487 -0.057 0.000 1.192 18 N HN 0.363 nan 8.380 nan 0.000 0.503 19 P HA 0.086 nan 4.420 nan 0.000 0.266 19 P C -1.801 175.508 177.300 0.015 0.000 1.186 19 P CA -0.514 62.582 63.100 -0.006 0.000 0.767 19 P CB 0.575 32.278 31.700 0.005 0.000 0.820 20 P HA 0.028 nan 4.420 nan 0.000 0.245 20 P C 0.573 177.886 177.300 0.021 0.000 1.203 20 P CA 0.636 63.753 63.100 0.028 0.000 0.792 20 P CB 0.359 32.086 31.700 0.044 0.000 0.997 21 V N -5.178 114.746 119.914 0.016 0.000 3.265 21 V HA 0.393 4.511 4.120 -0.003 0.000 0.346 21 V C -0.141 175.942 176.094 -0.017 0.000 1.447 21 V CA -0.548 61.759 62.300 0.012 0.000 1.179 21 V CB -1.115 30.730 31.823 0.037 0.000 1.103 21 V HN -0.120 nan 8.190 nan 0.000 0.530 22 N N 0.996 119.672 118.700 -0.041 0.000 2.708 22 N HA -0.184 4.555 4.740 -0.003 0.000 0.249 22 N C 0.555 176.016 175.510 -0.081 0.000 1.097 22 N CA 1.214 54.214 53.050 -0.084 0.000 0.710 22 N CB -1.216 37.193 38.487 -0.130 0.000 1.032 22 N HN 1.286 nan 8.380 nan 0.000 0.551 23 A N -0.433 122.365 122.820 -0.037 0.000 2.520 23 A HA 0.313 4.632 4.320 -0.003 0.000 0.235 23 A C 0.802 178.369 177.584 -0.028 0.000 1.065 23 A CA -0.053 51.971 52.037 -0.021 0.000 0.764 23 A CB 0.544 19.548 19.000 0.007 0.000 1.002 23 A HN 0.143 nan 8.150 nan 0.000 0.502 24 V N 3.103 123.007 119.914 -0.017 0.000 2.455 24 V HA 0.403 4.522 4.120 -0.003 0.000 0.273 24 V C 0.833 176.939 176.094 0.020 0.000 1.045 24 V CA 0.371 62.661 62.300 -0.016 0.000 0.976 24 V CB 0.213 32.027 31.823 -0.015 0.000 0.993 24 V HN 1.076 nan 8.190 nan 0.000 0.475 25 S N 5.026 120.733 115.700 0.011 0.000 2.739 25 S HA 0.606 5.075 4.470 -0.003 0.000 0.306 25 S C -2.047 172.565 174.600 0.020 0.000 1.115 25 S CA -1.705 56.513 58.200 0.031 0.000 0.985 25 S CB 2.051 65.269 63.200 0.029 0.000 1.133 25 S HN 0.379 nan 8.310 nan 0.000 0.541 26 P HA -0.059 nan 4.420 nan 0.000 0.216 26 P C 1.324 178.628 177.300 0.006 0.000 1.150 26 P CA 1.550 64.661 63.100 0.018 0.000 0.843 26 P CB -0.299 31.416 31.700 0.026 0.000 0.787 27 T N -0.808 113.751 114.554 0.008 0.000 2.737 27 T HA -0.100 4.249 4.350 -0.003 0.000 0.265 27 T C 1.820 176.515 174.700 -0.008 0.000 1.038 27 T CA 1.340 63.443 62.100 0.004 0.000 1.144 27 T CB -1.064 67.811 68.868 0.011 0.000 0.866 27 T HN -0.120 nan 8.240 nan 0.000 0.434 28 V N 1.590 121.495 119.914 -0.015 0.000 2.380 28 V HA -0.204 3.914 4.120 -0.003 0.000 0.251 28 V C 2.334 178.404 176.094 -0.041 0.000 1.063 28 V CA 1.562 63.840 62.300 -0.036 0.000 1.055 28 V CB -0.776 31.017 31.823 -0.050 0.000 0.657 28 V HN 0.489 nan 8.190 nan 0.000 0.455 29 I N -0.770 119.781 120.570 -0.032 0.000 2.163 29 I HA -0.225 3.943 4.170 -0.003 0.000 0.240 29 I C 2.782 178.879 176.117 -0.033 0.000 1.081 29 I CA 1.596 62.875 61.300 -0.036 0.000 1.353 29 I CB -0.488 37.495 38.000 -0.029 0.000 1.054 29 I HN 0.145 nan 8.210 nan 0.000 0.407 30 R N 0.718 121.205 120.500 -0.022 0.000 2.133 30 R HA -0.256 4.082 4.340 -0.003 0.000 0.245 30 R C 2.201 178.485 176.300 -0.026 0.000 1.137 30 R CA 2.181 58.269 56.100 -0.019 0.000 0.947 30 R CB -0.226 30.069 30.300 -0.009 0.000 0.865 30 R HN 0.441 nan 8.270 nan 0.000 0.437 31 E N -0.768 119.418 120.200 -0.023 0.000 2.158 31 E HA -0.093 4.255 4.350 -0.003 0.000 0.191 31 E C 1.930 178.508 176.600 -0.037 0.000 0.982 31 E CA 0.784 57.171 56.400 -0.022 0.000 0.823 31 E CB 0.253 29.950 29.700 -0.005 0.000 0.766 31 E HN 0.126 nan 8.360 nan 0.000 0.468 32 V N 1.101 120.986 119.914 -0.049 0.000 2.427 32 V HA -0.236 3.882 4.120 -0.003 0.000 0.248 32 V C 2.286 178.329 176.094 -0.086 0.000 1.051 32 V CA 1.534 63.794 62.300 -0.067 0.000 1.048 32 V CB -0.390 31.386 31.823 -0.079 0.000 0.666 32 V HN 0.194 nan 8.190 nan 0.000 0.456 33 R N 0.237 120.694 120.500 -0.071 0.000 2.082 33 R HA -0.176 4.163 4.340 -0.003 0.000 0.234 33 R C 2.336 178.589 176.300 -0.078 0.000 1.136 33 R CA 1.902 57.961 56.100 -0.069 0.000 0.935 33 R CB -0.510 29.762 30.300 -0.046 0.000 0.842 33 R HN 0.525 nan 8.270 nan 0.000 0.430 34 N N -0.075 118.582 118.700 -0.072 0.000 2.096 34 N HA -0.188 4.550 4.740 -0.003 0.000 0.195 34 N C 1.733 177.132 175.510 -0.184 0.000 1.017 34 N CA 1.688 54.681 53.050 -0.095 0.000 0.870 34 N CB -0.894 37.554 38.487 -0.066 0.000 1.024 34 N HN 0.397 nan 8.380 nan 0.000 0.434 35 G N 1.282 109.972 108.800 -0.183 0.000 2.446 35 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.217 35 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.217 35 G C 1.697 176.408 174.900 -0.315 0.000 1.168 35 G CA 0.683 45.604 45.100 -0.298 0.000 0.771 35 G HN 0.282 nan 8.290 nan 0.000 0.551 36 L N -0.126 120.983 121.223 -0.189 0.000 2.046 36 L HA -0.148 4.191 4.340 -0.003 0.000 0.208 36 L C 3.138 180.021 176.870 0.021 0.000 1.077 36 L CA 1.361 56.119 54.840 -0.136 0.000 0.747 36 L CB -0.579 41.343 42.059 -0.229 0.000 0.896 36 L HN 0.266 nan 8.230 nan 0.000 0.432 37 Q N 0.100 119.876 119.800 -0.040 0.000 2.061 37 Q HA -0.236 4.103 4.340 -0.003 0.000 0.204 37 Q C 2.296 178.260 176.000 -0.060 0.000 0.984 37 Q CA 1.662 57.454 55.803 -0.019 0.000 0.846 37 Q CB -0.087 28.629 28.738 -0.037 0.000 0.902 37 Q HN 0.412 nan 8.270 nan 0.000 0.421 38 K N 0.203 120.484 120.400 -0.198 0.000 2.026 38 K HA -0.100 4.218 4.320 -0.003 0.000 0.208 38 K C 2.065 178.593 176.600 -0.120 0.000 1.048 38 K CA 1.175 57.322 56.287 -0.234 0.000 0.929 38 K CB -0.193 31.995 32.500 -0.521 0.000 0.713 38 K HN 0.152 nan 8.250 nan 0.000 0.439 39 A N 0.740 123.472 122.820 -0.147 0.000 2.070 39 A HA -0.066 4.252 4.320 -0.003 0.000 0.220 39 A C 2.173 179.866 177.584 0.180 0.000 1.159 39 A CA 1.794 53.909 52.037 0.129 0.000 0.656 39 A CB -0.741 18.387 19.000 0.213 0.000 0.800 39 A HN 0.461 nan 8.150 nan 0.000 0.453 40 G N -0.262 108.633 108.800 0.158 0.000 2.408 40 G HA2 -0.027 3.931 3.960 -0.003 0.000 0.213 40 G HA3 -0.027 3.931 3.960 -0.003 0.000 0.213 40 G C 1.550 176.480 174.900 0.050 0.000 1.177 40 G CA 1.093 46.255 45.100 0.103 0.000 0.802 40 G HN 0.886 nan 8.290 nan 0.000 0.533 41 S N -0.103 115.627 115.700 0.049 0.000 2.840 41 S HA 0.193 4.661 4.470 -0.003 0.000 0.235 41 S C -0.185 174.456 174.600 0.068 0.000 0.968 41 S CA -0.070 58.159 58.200 0.049 0.000 1.026 41 S CB 0.121 63.342 63.200 0.035 0.000 0.788 41 S HN 0.159 nan 8.310 nan 0.000 0.487 42 D N 1.464 121.907 120.400 0.071 0.000 2.421 42 D HA 0.181 4.819 4.640 -0.003 0.000 0.254 42 D C 0.673 176.986 176.300 0.023 0.000 1.238 42 D CA -0.601 53.425 54.000 0.043 0.000 0.919 42 D CB 0.858 41.687 40.800 0.048 0.000 1.152 42 D HN 0.504 nan 8.370 nan 0.000 0.552 43 H N 0.784 119.881 119.070 0.045 0.000 2.560 43 H HA -0.048 4.506 4.556 -0.003 0.000 0.283 43 H C 1.269 176.625 175.328 0.046 0.000 1.028 43 H CA 1.664 57.735 56.048 0.037 0.000 1.221 43 H CB -0.040 29.738 29.762 0.025 0.000 1.363 43 H HN 0.243 nan 8.280 nan 0.000 0.594 44 T N -2.113 112.270 114.554 -0.284 0.000 3.067 44 T HA 0.152 4.501 4.350 -0.003 0.000 0.257 44 T C 0.618 175.307 174.700 -0.019 0.000 1.105 44 T CA 0.038 62.046 62.100 -0.153 0.000 1.104 44 T CB -0.315 68.432 68.868 -0.202 0.000 0.925 44 T HN 0.118 nan 8.240 nan 0.000 0.498 45 V N 2.262 122.189 119.914 0.021 0.000 2.461 45 V HA 0.362 4.481 4.120 -0.003 0.000 0.275 45 V C 0.752 176.907 176.094 0.101 0.000 1.047 45 V CA -0.422 61.929 62.300 0.085 0.000 0.955 45 V CB 1.307 33.216 31.823 0.143 0.000 0.988 45 V HN 0.366 nan 8.190 nan 0.000 0.471 46 K N 2.856 123.321 120.400 0.109 0.000 2.450 46 K HA 0.600 4.918 4.320 -0.003 0.000 0.206 46 K C 0.212 176.895 176.600 0.139 0.000 1.148 46 K CA 0.342 56.695 56.287 0.110 0.000 1.014 46 K CB 1.524 34.079 32.500 0.092 0.000 0.966 46 K HN 0.737 nan 8.250 nan 0.000 0.566 47 A N 1.133 124.049 122.820 0.161 0.000 2.610 47 A HA 0.694 5.013 4.320 -0.003 0.000 0.291 47 A C -1.657 176.044 177.584 0.196 0.000 1.086 47 A CA -0.714 51.440 52.037 0.195 0.000 0.677 47 A CB 1.228 20.333 19.000 0.174 0.000 1.278 47 A HN 0.075 nan 8.150 nan 0.000 0.414 48 I N 0.929 121.621 120.570 0.204 0.000 2.533 48 I HA 0.438 4.606 4.170 -0.003 0.000 0.290 48 I C -0.933 175.258 176.117 0.124 0.000 1.056 48 I CA -0.998 60.397 61.300 0.159 0.000 1.057 48 I CB 2.074 40.153 38.000 0.132 0.000 1.240 48 I HN 0.337 nan 8.210 nan 0.000 0.423 49 V N 7.022 126.996 119.914 0.100 0.000 2.394 49 V HA 0.441 4.559 4.120 -0.003 0.000 0.282 49 V C 0.049 176.192 176.094 0.082 0.000 1.031 49 V CA -0.389 61.962 62.300 0.084 0.000 0.881 49 V CB 1.779 33.645 31.823 0.071 0.000 0.982 49 V HN 0.466 nan 8.190 nan 0.000 0.451 50 I N 5.516 126.145 120.570 0.099 0.000 2.362 50 I HA 0.604 4.772 4.170 -0.003 0.000 0.289 50 I C -0.065 176.212 176.117 0.267 0.000 0.994 50 I CA -0.226 61.152 61.300 0.130 0.000 1.158 50 I CB 1.345 39.418 38.000 0.121 0.000 1.315 50 I HN 0.871 nan 8.210 nan 0.000 0.451 51 C N 2.905 122.313 119.300 0.179 0.000 3.291 51 C HA 0.930 5.388 4.460 -0.003 0.000 0.316 51 C C 0.239 175.233 174.990 0.006 0.000 1.391 51 C CA -0.676 58.486 59.018 0.241 0.000 1.394 51 C CB 0.906 28.746 27.740 0.167 0.000 1.744 51 C HN 0.830 nan 8.230 nan 0.000 0.461 52 G N 0.192 109.009 108.800 0.029 0.000 2.412 52 G HA2 0.726 4.684 3.960 -0.003 0.000 0.318 52 G HA3 0.726 4.684 3.960 -0.003 0.000 0.318 52 G C -0.175 174.713 174.900 -0.020 0.000 1.146 52 G CA 0.123 45.168 45.100 -0.092 0.000 0.882 52 G HN 1.639 nan 8.290 nan 0.000 0.501 53 A N 0.568 123.358 122.820 -0.050 0.000 2.269 53 A HA 0.614 4.932 4.320 -0.003 0.000 0.319 53 A C 0.731 178.305 177.584 -0.017 0.000 1.110 53 A CA -0.285 51.734 52.037 -0.030 0.000 0.847 53 A CB 0.190 19.158 19.000 -0.053 0.000 1.161 53 A HN 1.124 nan 8.150 nan 0.000 0.497 54 N N -0.629 118.069 118.700 -0.003 0.000 2.747 54 N HA -0.172 4.566 4.740 -0.003 0.000 0.249 54 N C 0.722 176.242 175.510 0.017 0.000 1.107 54 N CA 1.803 54.857 53.050 0.006 0.000 0.707 54 N CB -1.331 37.156 38.487 -0.000 0.000 1.054 54 N HN 2.091 nan 8.380 nan 0.000 0.555 55 G N -1.656 107.159 108.800 0.025 0.000 2.179 55 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.260 55 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.260 55 G C -0.362 174.566 174.900 0.046 0.000 0.977 55 G CA 0.298 45.420 45.100 0.036 0.000 0.641 55 G HN 0.534 nan 8.290 nan 0.000 0.533 56 N N -0.954 117.772 118.700 0.043 0.000 2.249 56 N HA 0.481 5.219 4.740 -0.003 0.000 0.296 56 N C 0.401 175.957 175.510 0.077 0.000 1.051 56 N CA -0.519 52.570 53.050 0.065 0.000 0.815 56 N CB 1.798 40.312 38.487 0.045 0.000 1.487 56 N HN -0.019 nan 8.380 nan 0.000 0.475 57 F N 1.900 121.839 119.950 -0.019 0.000 2.014 57 F HA 0.046 4.572 4.527 -0.003 0.000 0.295 57 F C 0.836 176.619 175.800 -0.027 0.000 1.145 57 F CA 1.008 58.992 58.000 -0.026 0.000 1.178 57 F CB 0.263 39.243 39.000 -0.033 0.000 0.972 57 F HN 0.475 nan 8.300 nan 0.000 0.476 58 C N -0.064 119.244 119.300 0.012 0.000 3.135 58 C HA 0.582 5.041 4.460 -0.003 0.000 0.428 58 C C 0.701 175.705 174.990 0.024 0.000 0.972 58 C CA -0.583 58.381 59.018 -0.090 0.000 1.218 58 C CB 0.081 27.669 27.740 -0.253 0.000 1.595 58 C HN 0.696 nan 8.230 nan 0.000 0.576 59 A N 3.339 126.158 122.820 -0.002 0.000 2.208 59 A HA 0.645 4.963 4.320 -0.003 0.000 0.209 59 A C 1.341 178.921 177.584 -0.006 0.000 1.161 59 A CA 1.495 53.536 52.037 0.007 0.000 0.782 59 A CB -0.549 18.464 19.000 0.022 0.000 0.816 59 A HN 2.680 nan 8.150 nan 0.000 0.477 60 G N -2.150 106.650 108.800 -0.000 0.000 2.316 60 G HA2 0.476 4.434 3.960 -0.003 0.000 0.349 60 G HA3 0.476 4.434 3.960 -0.003 0.000 0.349 60 G C -0.074 174.853 174.900 0.045 0.000 1.274 60 G CA -0.374 44.739 45.100 0.022 0.000 1.018 60 G HN 1.384 nan 8.290 nan 0.000 0.486 61 A N -0.196 122.702 122.820 0.130 0.000 2.483 61 A HA 0.489 4.807 4.320 -0.003 0.000 0.238 61 A C 0.609 178.238 177.584 0.075 0.000 1.070 61 A CA 0.879 53.032 52.037 0.194 0.000 0.770 61 A CB 0.236 19.497 19.000 0.436 0.000 1.008 61 A HN 1.175 nan 8.150 nan 0.000 0.497 62 D N 1.726 122.159 120.400 0.054 0.000 2.426 62 D HA 0.004 4.643 4.640 -0.003 0.000 0.261 62 D C 1.102 177.225 176.300 -0.294 0.000 1.245 62 D CA 0.267 54.250 54.000 -0.028 0.000 0.917 62 D CB 0.073 40.914 40.800 0.068 0.000 1.123 62 D HN 0.397 nan 8.370 nan 0.000 0.508 63 I N 3.303 123.493 120.570 -0.635 0.000 2.264 63 I HA -0.318 3.850 4.170 -0.003 0.000 0.248 63 I C 1.722 177.494 176.117 -0.577 0.000 1.111 63 I CA 0.954 61.453 61.300 -1.336 0.000 1.382 63 I CB -0.304 37.020 38.000 -1.127 0.000 1.060 63 I HN 0.547 nan 8.210 nan 0.000 0.418 64 H N 0.266 119.347 119.070 0.019 0.000 2.390 64 H HA -0.125 4.430 4.556 -0.003 0.000 0.298 64 H C 2.241 177.629 175.328 0.100 0.000 1.106 64 H CA 1.350 57.453 56.048 0.091 0.000 1.297 64 H CB -0.431 29.326 29.762 -0.009 0.000 1.375 64 H HN 0.386 nan 8.280 nan 0.000 0.509 65 G N -0.792 108.131 108.800 0.205 0.000 2.882 65 G HA2 -0.148 3.811 3.960 -0.003 0.000 0.206 65 G HA3 -0.148 3.811 3.960 -0.003 0.000 0.206 65 G C 0.502 175.652 174.900 0.416 0.000 1.155 65 G CA 0.040 45.302 45.100 0.270 0.000 0.800 65 G HN 0.251 nan 8.290 nan 0.000 0.524 66 F N 1.620 121.631 119.950 0.102 0.000 2.789 66 F HA 0.179 4.704 4.527 -0.003 0.000 0.300 66 F C 1.943 177.751 175.800 0.012 0.000 1.132 66 F CA -0.894 57.131 58.000 0.042 0.000 1.404 66 F CB -0.411 38.582 39.000 -0.011 0.000 1.114 66 F HN 0.096 nan 8.300 nan 0.000 0.584 67 S N 0.848 116.696 115.700 0.246 0.000 2.558 67 S HA 0.151 4.620 4.470 -0.003 0.000 0.291 67 S C 1.610 176.208 174.600 -0.004 0.000 1.306 67 S CA -0.060 58.225 58.200 0.143 0.000 1.056 67 S CB 1.130 64.486 63.200 0.261 0.000 0.836 67 S HN 0.296 nan 8.310 nan 0.000 0.504 68 A N 3.471 126.160 122.820 -0.219 0.000 2.032 68 A HA -0.005 4.314 4.320 -0.003 0.000 0.221 68 A C 1.531 178.926 177.584 -0.315 0.000 1.165 68 A CA 1.568 53.392 52.037 -0.355 0.000 0.645 68 A CB -0.961 17.723 19.000 -0.526 0.000 0.807 68 A HN 0.882 nan 8.150 nan 0.000 0.453 69 F N 1.108 121.077 119.950 0.031 0.000 2.187 69 F HA -0.005 4.521 4.527 -0.002 0.000 0.295 69 F C 1.935 177.756 175.800 0.034 0.000 1.091 69 F CA 1.118 59.137 58.000 0.031 0.000 1.308 69 F CB -1.239 37.782 39.000 0.034 0.000 1.030 69 F HN 0.162 nan 8.300 nan 0.000 0.487 70 T N -0.535 114.156 114.554 0.228 0.000 2.860 70 T HA 0.312 4.660 4.350 -0.003 0.000 0.299 70 T C -2.153 172.609 174.700 0.104 0.000 1.045 70 T CA -1.585 60.606 62.100 0.151 0.000 1.071 70 T CB 0.606 69.562 68.868 0.148 0.000 0.985 70 T HN -0.199 nan 8.240 nan 0.000 0.537 71 P HA 0.379 nan 4.420 nan 0.000 0.274 71 P C 0.383 177.737 177.300 0.090 0.000 1.260 71 P CA -0.408 62.737 63.100 0.075 0.000 0.793 71 P CB -0.040 31.695 31.700 0.059 0.000 1.048 72 G N 0.220 109.078 108.800 0.096 0.000 2.448 72 G HA2 0.489 4.447 3.960 -0.003 0.000 0.285 72 G HA3 0.489 4.447 3.960 -0.003 0.000 0.285 72 G C -0.523 174.418 174.900 0.068 0.000 1.176 72 G CA -0.596 44.576 45.100 0.120 0.000 0.852 72 G HN 0.447 nan 8.290 nan 0.000 0.530 73 L N 0.189 121.453 121.223 0.069 0.000 2.456 73 L HA 0.524 4.862 4.340 -0.003 0.000 0.272 73 L C 0.897 177.757 176.870 -0.017 0.000 1.189 73 L CA -1.341 53.520 54.840 0.035 0.000 0.846 73 L CB -0.442 41.646 42.059 0.049 0.000 1.111 73 L HN 0.514 nan 8.230 nan 0.000 0.475 74 A N 2.967 125.774 122.820 -0.022 0.000 3.118 74 A HA 0.341 4.659 4.320 -0.003 0.000 0.256 74 A C 1.262 178.809 177.584 -0.063 0.000 1.667 74 A CA -0.341 51.667 52.037 -0.049 0.000 1.338 74 A CB -0.885 18.094 19.000 -0.034 0.000 1.127 74 A HN 0.842 nan 8.150 nan 0.000 0.634 75 L N 1.223 122.397 121.223 -0.082 0.000 2.131 75 L HA 0.110 4.448 4.340 -0.003 0.000 0.206 75 L C 2.222 179.034 176.870 -0.097 0.000 1.087 75 L CA 2.429 57.220 54.840 -0.082 0.000 0.767 75 L CB -0.786 41.224 42.059 -0.082 0.000 0.917 75 L HN 0.467 nan 8.230 nan 0.000 0.441 76 G N -1.177 107.544 108.800 -0.130 0.000 2.446 76 G HA2 -0.377 3.582 3.960 -0.003 0.000 0.217 76 G HA3 -0.377 3.582 3.960 -0.003 0.000 0.217 76 G C 1.707 176.550 174.900 -0.095 0.000 1.168 76 G CA 1.191 46.214 45.100 -0.127 0.000 0.771 76 G HN 0.537 nan 8.290 nan 0.000 0.551 77 S N 0.288 115.935 115.700 -0.088 0.000 2.370 77 S HA -0.164 4.305 4.470 -0.003 0.000 0.226 77 S C 2.393 176.951 174.600 -0.069 0.000 1.033 77 S CA 1.729 59.886 58.200 -0.071 0.000 1.011 77 S CB -0.345 62.820 63.200 -0.058 0.000 0.852 77 S HN 0.296 nan 8.310 nan 0.000 0.457 78 L N 1.740 122.922 121.223 -0.068 0.000 2.083 78 L HA 0.046 4.385 4.340 -0.003 0.000 0.209 78 L C 2.393 179.215 176.870 -0.081 0.000 1.083 78 L CA 1.644 56.441 54.840 -0.070 0.000 0.752 78 L CB -0.888 41.130 42.059 -0.067 0.000 0.899 78 L HN 0.270 nan 8.230 nan 0.000 0.433 79 V N -0.059 119.808 119.914 -0.079 0.000 2.407 79 V HA -0.276 3.843 4.120 -0.003 0.000 0.248 79 V C 2.269 178.300 176.094 -0.105 0.000 1.055 79 V CA 2.019 64.271 62.300 -0.080 0.000 1.049 79 V CB -0.757 31.030 31.823 -0.060 0.000 0.662 79 V HN 0.476 nan 8.190 nan 0.000 0.455 80 D N -0.636 119.695 120.400 -0.115 0.000 2.123 80 D HA -0.139 4.499 4.640 -0.003 0.000 0.200 80 D C 2.175 178.372 176.300 -0.171 0.000 0.976 80 D CA 1.136 55.017 54.000 -0.198 0.000 0.831 80 D CB -0.089 40.611 40.800 -0.167 0.000 0.974 80 D HN 0.558 nan 8.370 nan 0.000 0.469 81 E N 0.370 120.514 120.200 -0.094 0.000 2.118 81 E HA -0.165 4.184 4.350 -0.003 0.000 0.195 81 E C 2.198 178.800 176.600 0.002 0.000 0.992 81 E CA 0.707 57.086 56.400 -0.035 0.000 0.804 81 E CB -0.025 29.659 29.700 -0.027 0.000 0.741 81 E HN 0.230 nan 8.360 nan 0.000 0.458 82 I N 0.666 121.197 120.570 -0.065 0.000 2.163 82 I HA -0.291 3.878 4.170 -0.003 0.000 0.240 82 I C 2.675 178.776 176.117 -0.026 0.000 1.081 82 I CA 1.185 62.424 61.300 -0.102 0.000 1.353 82 I CB -0.263 37.626 38.000 -0.185 0.000 1.054 82 I HN 0.160 nan 8.210 nan 0.000 0.407 83 Q N 0.421 120.191 119.800 -0.051 0.000 2.133 83 Q HA -0.244 4.094 4.340 -0.003 0.000 0.208 83 Q C 2.186 178.360 176.000 0.290 0.000 0.991 83 Q CA 1.634 57.490 55.803 0.088 0.000 0.867 83 Q CB -0.155 28.556 28.738 -0.044 0.000 0.911 83 Q HN 0.471 nan 8.270 nan 0.000 0.417 84 R N -0.824 119.767 120.500 0.152 0.000 2.307 84 R HA -0.018 4.320 4.340 -0.003 0.000 0.199 84 R C 0.219 176.659 176.300 0.233 0.000 1.000 84 R CA -0.079 56.135 56.100 0.190 0.000 1.023 84 R CB -0.113 30.237 30.300 0.083 0.000 0.908 84 R HN 0.189 nan 8.270 nan 0.000 0.473 85 Y N 2.474 122.859 120.300 0.142 0.000 2.702 85 Y HA -0.148 4.401 4.550 -0.003 0.000 0.336 85 Y C 1.411 177.402 175.900 0.152 0.000 1.235 85 Y CA 0.547 58.728 58.100 0.135 0.000 1.492 85 Y CB 0.659 39.202 38.460 0.139 0.000 1.308 85 Y HN -0.044 nan 8.280 nan 0.000 0.589 86 Q N 3.469 123.041 119.800 -0.379 0.000 2.360 86 Q HA 0.075 4.414 4.340 -0.003 0.000 0.202 86 Q C -0.396 175.491 176.000 -0.187 0.000 0.915 86 Q CA 0.597 56.258 55.803 -0.237 0.000 0.943 86 Q CB 0.341 28.938 28.738 -0.235 0.000 1.064 86 Q HN 0.585 nan 8.270 nan 0.000 0.511 87 K N 1.224 121.508 120.400 -0.193 0.000 2.259 87 K HA 0.420 4.739 4.320 -0.003 0.000 0.249 87 K C -2.665 174.151 176.600 0.360 0.000 0.942 87 K CA -2.184 54.163 56.287 0.100 0.000 0.816 87 K CB 1.492 34.075 32.500 0.138 0.000 1.155 87 K HN -0.208 nan 8.250 nan 0.000 0.428 88 P HA -0.006 nan 4.420 nan 0.000 0.266 88 P C -0.965 176.645 177.300 0.516 0.000 1.195 88 P CA -0.264 63.099 63.100 0.440 0.000 0.768 88 P CB 0.528 32.456 31.700 0.379 0.000 0.838 89 V N 4.735 125.005 119.914 0.592 0.000 2.483 89 V HA 0.328 4.446 4.120 -0.003 0.000 0.297 89 V C -0.332 175.845 176.094 0.139 0.000 1.027 89 V CA -0.450 61.964 62.300 0.190 0.000 0.855 89 V CB 1.403 33.168 31.823 -0.097 0.000 0.995 89 V HN 0.279 nan 8.190 nan 0.000 0.424 90 L N 4.435 125.741 121.223 0.138 0.000 2.333 90 L HA 0.839 5.178 4.340 -0.003 0.000 0.280 90 L C 0.335 177.223 176.870 0.029 0.000 1.004 90 L CA -0.401 54.502 54.840 0.105 0.000 0.820 90 L CB 1.845 43.968 42.059 0.107 0.000 1.247 90 L HN 0.671 nan 8.230 nan 0.000 0.416 91 A N 2.446 125.242 122.820 -0.039 0.000 2.276 91 A HA 0.818 5.136 4.320 -0.003 0.000 0.300 91 A C 0.062 177.551 177.584 -0.158 0.000 1.235 91 A CA -0.315 51.669 52.037 -0.088 0.000 0.867 91 A CB 0.500 19.353 19.000 -0.245 0.000 1.137 91 A HN 0.769 nan 8.150 nan 0.000 0.527 92 A N 3.532 126.318 122.820 -0.056 0.000 2.249 92 A HA 0.650 4.968 4.320 -0.003 0.000 0.314 92 A C -0.383 177.159 177.584 -0.070 0.000 1.290 92 A CA -0.316 51.681 52.037 -0.066 0.000 0.893 92 A CB -0.056 18.950 19.000 0.010 0.000 1.165 92 A HN 0.746 nan 8.150 nan 0.000 0.530 93 I N 2.481 122.944 120.570 -0.179 0.000 2.359 93 I HA 0.237 4.405 4.170 -0.003 0.000 0.284 93 I C -0.037 176.063 176.117 -0.029 0.000 1.018 93 I CA -0.374 60.812 61.300 -0.191 0.000 1.173 93 I CB 1.548 39.315 38.000 -0.389 0.000 1.326 93 I HN 0.713 nan 8.210 nan 0.000 0.462 94 Q N 4.944 124.786 119.800 0.070 0.000 2.257 94 Q HA 0.651 4.989 4.340 -0.003 0.000 0.255 94 Q C 0.531 176.577 176.000 0.077 0.000 0.920 94 Q CA 0.701 56.540 55.803 0.060 0.000 0.927 94 Q CB 1.694 30.470 28.738 0.064 0.000 1.229 94 Q HN 0.811 nan 8.270 nan 0.000 0.433 95 G N 1.849 110.679 108.800 0.051 0.000 2.559 95 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.282 95 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.282 95 G C -0.960 173.973 174.900 0.054 0.000 1.177 95 G CA -0.213 44.921 45.100 0.056 0.000 0.960 95 G HN 0.835 nan 8.290 nan 0.000 0.540 96 V N 1.476 121.434 119.914 0.073 0.000 2.555 96 V HA 0.746 4.864 4.120 -0.003 0.000 0.302 96 V C 0.397 176.547 176.094 0.094 0.000 1.038 96 V CA 0.282 62.612 62.300 0.049 0.000 0.887 96 V CB 1.444 33.292 31.823 0.041 0.000 0.991 96 V HN 1.980 nan 8.190 nan 0.000 0.434 97 A N 6.967 129.808 122.820 0.035 0.000 2.545 97 A HA 0.802 5.120 4.320 -0.003 0.000 0.300 97 A C -1.041 176.524 177.584 -0.032 0.000 1.252 97 A CA -0.307 51.785 52.037 0.093 0.000 0.753 97 A CB 0.296 19.298 19.000 0.004 0.000 1.144 97 A HN 0.715 nan 8.150 nan 0.000 0.457 98 L N 1.700 122.900 121.223 -0.038 0.000 2.341 98 L HA 0.731 5.069 4.340 -0.003 0.000 0.267 98 L C 1.395 178.231 176.870 -0.056 0.000 1.009 98 L CA -0.147 54.616 54.840 -0.129 0.000 0.819 98 L CB 1.844 43.784 42.059 -0.199 0.000 1.323 98 L HN 0.995 nan 8.230 nan 0.000 0.425 99 G N 1.602 110.362 108.800 -0.066 0.000 2.684 99 G HA2 -0.379 3.579 3.960 -0.003 0.000 0.332 99 G HA3 -0.379 3.579 3.960 -0.003 0.000 0.332 99 G C 0.959 175.859 174.900 -0.000 0.000 1.306 99 G CA 0.554 45.643 45.100 -0.018 0.000 1.002 99 G HN 1.040 nan 8.290 nan 0.000 0.545 100 G N 0.636 109.448 108.800 0.019 0.000 2.564 100 G HA2 0.216 4.174 3.960 -0.003 0.000 0.217 100 G HA3 0.216 4.174 3.960 -0.003 0.000 0.217 100 G C 1.553 176.469 174.900 0.025 0.000 1.120 100 G CA 1.715 46.820 45.100 0.009 0.000 0.752 100 G HN 1.565 nan 8.290 nan 0.000 0.558 101 G N 0.382 109.210 108.800 0.047 0.000 2.441 101 G HA2 0.026 3.984 3.960 -0.003 0.000 0.212 101 G HA3 0.026 3.984 3.960 -0.003 0.000 0.212 101 G C 1.576 176.582 174.900 0.177 0.000 1.164 101 G CA 0.651 45.831 45.100 0.132 0.000 0.811 101 G HN 0.335 nan 8.290 nan 0.000 0.535 102 L N 1.039 122.298 121.223 0.060 0.000 2.046 102 L HA 0.049 4.387 4.340 -0.003 0.000 0.208 102 L C 2.535 179.408 176.870 0.005 0.000 1.077 102 L CA 1.919 56.760 54.840 0.001 0.000 0.747 102 L CB -0.707 41.328 42.059 -0.040 0.000 0.896 102 L HN 0.343 nan 8.230 nan 0.000 0.432 103 E N -0.779 119.426 120.200 0.007 0.000 2.051 103 E HA -0.272 4.076 4.350 -0.003 0.000 0.192 103 E C 2.161 178.764 176.600 0.005 0.000 0.991 103 E CA 1.431 57.828 56.400 -0.005 0.000 0.799 103 E CB -0.377 29.308 29.700 -0.024 0.000 0.748 103 E HN 0.417 nan 8.360 nan 0.000 0.449 104 L N 0.920 122.165 121.223 0.035 0.000 2.081 104 L HA -0.219 4.119 4.340 -0.003 0.000 0.212 104 L C 2.170 179.079 176.870 0.066 0.000 1.080 104 L CA 1.985 56.857 54.840 0.053 0.000 0.754 104 L CB -0.397 41.720 42.059 0.096 0.000 0.893 104 L HN 0.063 nan 8.230 nan 0.000 0.433 105 A N -0.614 122.250 122.820 0.073 0.000 1.873 105 A HA -0.131 4.187 4.320 -0.003 0.000 0.215 105 A C 2.177 179.720 177.584 -0.068 0.000 1.186 105 A CA 1.679 53.690 52.037 -0.043 0.000 0.616 105 A CB -0.919 17.964 19.000 -0.194 0.000 0.823 105 A HN 0.468 nan 8.150 nan 0.000 0.442 106 L N -0.353 120.841 121.223 -0.049 0.000 2.263 106 L HA -0.192 4.147 4.340 -0.003 0.000 0.216 106 L C 2.568 179.411 176.870 -0.045 0.000 1.111 106 L CA 0.921 55.737 54.840 -0.040 0.000 0.773 106 L CB -0.721 41.329 42.059 -0.015 0.000 0.906 106 L HN 0.518 nan 8.230 nan 0.000 0.439 107 G N -1.049 107.717 108.800 -0.056 0.000 2.464 107 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.217 107 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.217 107 G C 0.712 175.512 174.900 -0.166 0.000 1.138 107 G CA -0.086 44.964 45.100 -0.085 0.000 0.793 107 G HN 0.323 nan 8.290 nan 0.000 0.539 108 C N 0.051 119.247 119.300 -0.173 0.000 2.595 108 C HA 0.353 4.811 4.460 -0.003 0.000 0.384 108 C C 1.694 176.526 174.990 -0.264 0.000 1.289 108 C CA -0.281 58.567 59.018 -0.282 0.000 2.372 108 C CB 0.384 28.032 27.740 -0.154 0.000 2.593 108 C HN 0.629 nan 8.230 nan 0.000 0.639 109 H N -1.030 117.969 119.070 -0.119 0.000 2.436 109 H HA 0.081 4.635 4.556 -0.003 0.000 0.294 109 H C -0.472 174.518 175.328 -0.563 0.000 1.048 109 H CA 1.031 56.880 56.048 -0.332 0.000 1.353 109 H CB 0.082 29.621 29.762 -0.371 0.000 1.414 109 H HN 0.600 nan 8.280 nan 0.000 0.536 110 Y N -0.358 119.965 120.300 0.039 0.000 2.512 110 Y HA 0.484 5.032 4.550 -0.003 0.000 0.348 110 Y C -0.386 175.393 175.900 -0.202 0.000 0.990 110 Y CA -1.218 56.818 58.100 -0.107 0.000 1.033 110 Y CB 1.731 40.078 38.460 -0.189 0.000 1.259 110 Y HN -0.180 nan 8.280 nan 0.000 0.461 111 R N 2.824 123.273 120.500 -0.084 0.000 2.468 111 R HA 0.597 4.936 4.340 -0.003 0.000 0.302 111 R C -1.811 174.356 176.300 -0.222 0.000 1.041 111 R CA -0.454 55.544 56.100 -0.170 0.000 0.899 111 R CB 1.084 31.294 30.300 -0.151 0.000 1.167 111 R HN 0.532 nan 8.270 nan 0.000 0.483 112 I N 2.143 122.562 120.570 -0.251 0.000 2.404 112 I HA 0.597 4.766 4.170 -0.003 0.000 0.293 112 I C -0.263 175.756 176.117 -0.162 0.000 0.992 112 I CA -0.284 60.885 61.300 -0.220 0.000 1.149 112 I CB 2.141 39.996 38.000 -0.242 0.000 1.315 112 I HN 0.591 nan 8.210 nan 0.000 0.446 113 A N 5.361 128.111 122.820 -0.116 0.000 2.449 113 A HA 0.501 4.820 4.320 -0.003 0.000 0.302 113 A C -0.523 177.033 177.584 -0.046 0.000 1.048 113 A CA -0.786 51.195 52.037 -0.093 0.000 0.708 113 A CB 1.209 20.145 19.000 -0.107 0.000 1.274 113 A HN 0.718 nan 8.150 nan 0.000 0.410 114 N N 1.332 120.014 118.700 -0.030 0.000 2.374 114 N HA 0.093 4.831 4.740 -0.003 0.000 0.241 114 N C 1.245 176.751 175.510 -0.007 0.000 1.262 114 N CA 0.571 53.615 53.050 -0.009 0.000 0.880 114 N CB 1.060 39.549 38.487 0.003 0.000 1.105 114 N HN 0.695 nan 8.380 nan 0.000 0.438 115 A N 3.447 126.269 122.820 0.003 0.000 2.015 115 A HA -0.149 4.170 4.320 -0.003 0.000 0.219 115 A C 1.407 178.997 177.584 0.010 0.000 1.163 115 A CA 1.309 53.349 52.037 0.006 0.000 0.646 115 A CB -0.219 18.788 19.000 0.011 0.000 0.806 115 A HN 0.838 nan 8.150 nan 0.000 0.448 116 K N -0.549 119.859 120.400 0.014 0.000 2.681 116 K HA 0.613 4.931 4.320 -0.003 0.000 0.211 116 K C 0.136 176.750 176.600 0.023 0.000 1.075 116 K CA 0.196 56.495 56.287 0.021 0.000 1.141 116 K CB 0.132 32.647 32.500 0.025 0.000 0.896 116 K HN 0.205 nan 8.250 nan 0.000 0.470 117 A N 1.569 124.397 122.820 0.013 0.000 2.279 117 A HA 0.583 4.902 4.320 -0.003 0.000 0.303 117 A C -0.648 176.942 177.584 0.009 0.000 1.108 117 A CA -0.791 51.251 52.037 0.008 0.000 0.830 117 A CB 0.645 19.636 19.000 -0.015 0.000 1.106 117 A HN 0.451 nan 8.150 nan 0.000 0.493 118 R N -0.448 120.056 120.500 0.008 0.000 2.628 118 R HA 0.597 4.935 4.340 -0.003 0.000 0.288 118 R C -1.128 175.129 176.300 -0.072 0.000 0.980 118 R CA -0.598 55.507 56.100 0.007 0.000 0.891 118 R CB 2.267 32.620 30.300 0.088 0.000 1.188 118 R HN 0.772 nan 8.270 nan 0.000 0.450 119 V N -1.306 118.550 119.914 -0.097 0.000 3.102 119 V HA 1.051 5.169 4.120 -0.003 0.000 0.312 119 V C -0.175 175.799 176.094 -0.200 0.000 1.135 119 V CA -0.494 61.715 62.300 -0.152 0.000 1.022 119 V CB 2.001 33.761 31.823 -0.105 0.000 1.056 119 V HN 0.933 nan 8.190 nan 0.000 0.436 120 G N 0.605 109.272 108.800 -0.222 0.000 2.313 120 G HA2 0.484 4.443 3.960 -0.003 0.000 0.296 120 G HA3 0.484 4.443 3.960 -0.003 0.000 0.296 120 G C -2.015 172.799 174.900 -0.143 0.000 1.356 120 G CA -0.678 44.316 45.100 -0.176 0.000 0.833 120 G HN 1.126 nan 8.290 nan 0.000 0.552 121 L N 1.541 122.726 121.223 -0.063 0.000 2.470 121 L HA 0.363 4.702 4.340 -0.003 0.000 0.253 121 L C -1.881 174.992 176.870 0.005 0.000 1.163 121 L CA -1.548 53.274 54.840 -0.031 0.000 0.932 121 L CB 2.562 44.615 42.059 -0.010 0.000 1.213 121 L HN 0.401 nan 8.230 nan 0.000 0.485 122 P HA 0.102 nan 4.420 nan 0.000 0.256 122 P C 0.663 177.970 177.300 0.012 0.000 1.384 122 P CA 0.033 63.166 63.100 0.055 0.000 0.879 122 P CB 0.664 32.440 31.700 0.128 0.000 1.403 123 E N 0.288 120.494 120.200 0.010 0.000 2.097 123 E HA -0.162 4.187 4.350 -0.003 0.000 0.196 123 E C 1.989 178.571 176.600 -0.030 0.000 1.000 123 E CA 1.092 57.498 56.400 0.009 0.000 0.804 123 E CB -1.361 28.357 29.700 0.030 0.000 0.740 123 E HN 0.015 nan 8.360 nan 0.000 0.454 124 V N 0.485 120.375 119.914 -0.040 0.000 2.380 124 V HA -0.336 3.783 4.120 -0.003 0.000 0.251 124 V C 2.009 178.039 176.094 -0.107 0.000 1.063 124 V CA 2.566 64.815 62.300 -0.085 0.000 1.055 124 V CB -0.602 31.161 31.823 -0.100 0.000 0.657 124 V HN 0.366 nan 8.190 nan 0.000 0.455 125 T N 0.193 114.701 114.554 -0.077 0.000 2.897 125 T HA -0.100 4.248 4.350 -0.003 0.000 0.271 125 T C 1.263 175.912 174.700 -0.084 0.000 1.084 125 T CA 1.766 63.823 62.100 -0.073 0.000 1.123 125 T CB -0.269 68.585 68.868 -0.023 0.000 0.865 125 T HN 0.501 nan 8.240 nan 0.000 0.496 126 L N -0.539 120.630 121.223 -0.091 0.000 2.910 126 L HA 0.392 4.730 4.340 -0.003 0.000 0.252 126 L C 1.606 178.424 176.870 -0.087 0.000 1.195 126 L CA 0.039 54.820 54.840 -0.099 0.000 1.003 126 L CB 0.400 42.403 42.059 -0.094 0.000 1.328 126 L HN 0.316 nan 8.230 nan 0.000 0.540 127 G N 1.180 109.915 108.800 -0.108 0.000 2.179 127 G HA2 -0.281 3.678 3.960 -0.003 0.000 0.260 127 G HA3 -0.281 3.678 3.960 -0.003 0.000 0.260 127 G C 0.307 175.102 174.900 -0.175 0.000 0.977 127 G CA 0.639 45.659 45.100 -0.134 0.000 0.641 127 G HN 0.449 nan 8.290 nan 0.000 0.533 128 I N -2.199 118.270 120.570 -0.169 0.000 3.654 128 I HA 0.960 5.129 4.170 -0.003 0.000 0.278 128 I C 0.083 176.155 176.117 -0.075 0.000 1.193 128 I CA -1.781 59.389 61.300 -0.217 0.000 1.087 128 I CB 1.459 39.236 38.000 -0.371 0.000 1.372 128 I HN 0.295 nan 8.210 nan 0.000 0.507 129 L N -2.822 118.427 121.223 0.042 0.000 2.376 129 L HA 0.768 5.106 4.340 -0.003 0.000 0.258 129 L C -2.942 174.022 176.870 0.155 0.000 1.013 129 L CA -2.118 52.782 54.840 0.100 0.000 0.822 129 L CB 0.392 42.512 42.059 0.102 0.000 1.388 129 L HN 0.230 nan 8.230 nan 0.000 0.413 130 P HA 0.189 nan 4.420 nan 0.000 0.258 130 P C 0.558 177.812 177.300 -0.077 0.000 1.214 130 P CA 0.416 63.516 63.100 -0.001 0.000 0.872 130 P CB 0.224 31.922 31.700 -0.004 0.000 0.890 131 G N 2.604 111.244 108.800 -0.267 0.000 3.605 131 G HA2 0.328 4.287 3.960 -0.003 0.000 0.277 131 G HA3 0.328 4.287 3.960 -0.003 0.000 0.277 131 G C 0.573 175.144 174.900 -0.548 0.000 1.093 131 G CA -0.099 44.619 45.100 -0.638 0.000 0.821 131 G HN 0.528 nan 8.290 nan 0.000 0.532 132 A N 0.833 123.469 122.820 -0.306 0.000 2.985 132 A HA 0.599 4.917 4.320 -0.003 0.000 0.303 132 A C 1.317 178.832 177.584 -0.116 0.000 1.048 132 A CA -0.473 51.439 52.037 -0.208 0.000 1.016 132 A CB -0.017 18.886 19.000 -0.162 0.000 1.118 132 A HN 0.159 nan 8.150 nan 0.000 0.529 133 R N -2.009 118.425 120.500 -0.111 0.000 3.584 133 R HA -0.186 4.152 4.340 -0.003 0.000 0.488 133 R C 1.299 177.605 176.300 0.011 0.000 0.869 133 R CA 1.309 57.389 56.100 -0.033 0.000 1.325 133 R CB -2.476 27.850 30.300 0.043 0.000 2.015 133 R HN 0.936 nan 8.270 nan 0.000 0.489 134 G N 0.054 108.843 108.800 -0.018 0.000 2.475 134 G HA2 -0.299 3.659 3.960 -0.003 0.000 0.220 134 G HA3 -0.299 3.659 3.960 -0.003 0.000 0.220 134 G C 1.294 176.210 174.900 0.026 0.000 1.125 134 G CA 1.625 46.727 45.100 0.004 0.000 0.755 134 G HN 0.378 nan 8.290 nan 0.000 0.565 135 T N -0.475 114.090 114.554 0.018 0.000 3.023 135 T HA 0.025 4.373 4.350 -0.003 0.000 0.266 135 T C 2.404 177.139 174.700 0.059 0.000 1.093 135 T CA 1.110 63.231 62.100 0.036 0.000 1.129 135 T CB -0.018 68.864 68.868 0.023 0.000 0.899 135 T HN 0.202 nan 8.240 nan 0.000 0.491 136 Q N 0.034 119.878 119.800 0.072 0.000 2.390 136 Q HA 0.297 4.635 4.340 -0.003 0.000 0.216 136 Q C 2.368 178.482 176.000 0.189 0.000 0.916 136 Q CA 0.400 56.281 55.803 0.130 0.000 0.911 136 Q CB -0.208 28.595 28.738 0.108 0.000 1.035 136 Q HN 0.444 nan 8.270 nan 0.000 0.541 137 L N 0.389 121.718 121.223 0.177 0.000 2.005 137 L HA -0.152 4.186 4.340 -0.003 0.000 0.207 137 L C 2.354 179.274 176.870 0.084 0.000 1.072 137 L CA 0.700 55.623 54.840 0.139 0.000 0.744 137 L CB -0.564 41.562 42.059 0.112 0.000 0.895 137 L HN 0.169 nan 8.230 nan 0.000 0.433 138 L N 0.817 122.078 121.223 0.063 0.000 1.990 138 L HA -0.140 4.198 4.340 -0.003 0.000 0.213 138 L C -0.481 176.417 176.870 0.046 0.000 1.072 138 L CA 2.252 57.118 54.840 0.043 0.000 0.755 138 L CB -1.562 40.517 42.059 0.032 0.000 0.889 138 L HN 0.067 nan 8.230 nan 0.000 0.432 139 P HA -0.166 nan 4.420 nan 0.000 0.219 139 P C 1.378 178.709 177.300 0.051 0.000 1.146 139 P CA 1.532 64.668 63.100 0.060 0.000 0.808 139 P CB -0.108 31.645 31.700 0.089 0.000 0.779 140 R N -1.019 119.516 120.500 0.059 0.000 2.148 140 R HA -0.022 4.317 4.340 -0.003 0.000 0.227 140 R C 1.906 178.220 176.300 0.024 0.000 1.103 140 R CA 0.859 56.985 56.100 0.043 0.000 0.983 140 R CB -0.616 29.713 30.300 0.048 0.000 0.874 140 R HN 0.137 nan 8.270 nan 0.000 0.451 141 V N -0.202 119.726 119.914 0.023 0.000 2.500 141 V HA -0.085 4.034 4.120 -0.003 0.000 0.243 141 V C 1.780 177.879 176.094 0.009 0.000 1.039 141 V CA 1.440 63.748 62.300 0.012 0.000 1.053 141 V CB 0.737 32.565 31.823 0.008 0.000 0.695 141 V HN 0.272 nan 8.190 nan 0.000 0.463 142 V N -2.517 117.404 119.914 0.012 0.000 3.477 142 V HA 0.767 4.885 4.120 -0.003 0.000 0.297 142 V C 0.702 176.799 176.094 0.004 0.000 1.433 142 V CA 0.233 62.536 62.300 0.006 0.000 1.052 142 V CB -0.385 31.441 31.823 0.006 0.000 0.895 142 V HN 0.771 nan 8.190 nan 0.000 0.438 143 G N 0.086 108.892 108.800 0.009 0.000 2.746 143 G HA2 -0.114 3.845 3.960 -0.003 0.000 0.685 143 G HA3 -0.114 3.845 3.960 -0.003 0.000 0.685 143 G C 0.072 174.971 174.900 -0.002 0.000 1.350 143 G CA -0.306 44.795 45.100 0.003 0.000 0.837 143 G HN 0.593 nan 8.290 nan 0.000 0.564 144 V N 1.940 121.843 119.914 -0.019 0.000 2.244 144 V HA -0.086 4.032 4.120 -0.003 0.000 0.244 144 V C 0.615 176.660 176.094 -0.081 0.000 1.042 144 V CA 3.009 65.281 62.300 -0.046 0.000 1.006 144 V CB -1.118 30.650 31.823 -0.092 0.000 0.641 144 V HN 0.707 nan 8.190 nan 0.000 0.446 145 P HA -0.113 nan 4.420 nan 0.000 0.215 145 P C 1.879 179.153 177.300 -0.044 0.000 1.153 145 P CA 1.371 64.416 63.100 -0.091 0.000 0.853 145 P CB -0.127 31.525 31.700 -0.079 0.000 0.788 146 V N 0.143 120.041 119.914 -0.027 0.000 2.358 146 V HA -0.221 3.898 4.120 -0.003 0.000 0.246 146 V C 2.586 178.682 176.094 0.003 0.000 1.047 146 V CA 2.114 64.409 62.300 -0.008 0.000 1.035 146 V CB -1.708 30.112 31.823 -0.004 0.000 0.658 146 V HN 0.106 nan 8.190 nan 0.000 0.452 147 A N -0.154 122.671 122.820 0.007 0.000 1.877 147 A HA -0.186 4.132 4.320 -0.003 0.000 0.216 147 A C 2.223 179.827 177.584 0.033 0.000 1.186 147 A CA 1.864 53.916 52.037 0.026 0.000 0.620 147 A CB -0.638 18.387 19.000 0.041 0.000 0.822 147 A HN 0.468 nan 8.150 nan 0.000 0.443 148 L N -0.480 120.758 121.223 0.025 0.000 2.034 148 L HA -0.319 4.020 4.340 -0.003 0.000 0.217 148 L C 2.505 179.399 176.870 0.038 0.000 1.077 148 L CA 2.109 56.969 54.840 0.034 0.000 0.769 148 L CB -0.634 41.418 42.059 -0.012 0.000 0.890 148 L HN 0.510 nan 8.230 nan 0.000 0.435 149 D N -0.109 120.306 120.400 0.025 0.000 2.084 149 D HA -0.173 4.465 4.640 -0.003 0.000 0.194 149 D C 2.271 178.598 176.300 0.045 0.000 0.990 149 D CA 1.366 55.386 54.000 0.034 0.000 0.826 149 D CB -0.081 40.731 40.800 0.020 0.000 0.971 149 D HN 0.201 nan 8.370 nan 0.000 0.453 150 L N -0.056 121.189 121.223 0.037 0.000 2.046 150 L HA -0.103 4.236 4.340 -0.003 0.000 0.208 150 L C 2.558 179.453 176.870 0.042 0.000 1.077 150 L CA 0.778 55.642 54.840 0.041 0.000 0.747 150 L CB -0.318 41.758 42.059 0.029 0.000 0.896 150 L HN 0.156 nan 8.230 nan 0.000 0.432 151 I N -0.600 119.993 120.570 0.039 0.000 2.584 151 I HA -0.172 3.996 4.170 -0.003 0.000 0.255 151 I C 2.661 178.794 176.117 0.028 0.000 1.145 151 I CA 1.381 62.702 61.300 0.034 0.000 1.462 151 I CB -0.330 37.693 38.000 0.038 0.000 1.102 151 I HN 0.356 nan 8.210 nan 0.000 0.433 152 T N -2.016 112.563 114.554 0.043 0.000 2.904 152 T HA -0.108 4.240 4.350 -0.003 0.000 0.267 152 T C 1.964 176.675 174.700 0.018 0.000 1.059 152 T CA 1.287 63.408 62.100 0.036 0.000 1.137 152 T CB -0.392 68.534 68.868 0.096 0.000 0.879 152 T HN 0.396 nan 8.240 nan 0.000 0.467 153 S N 0.873 116.612 115.700 0.064 0.000 2.421 153 S HA 0.382 4.851 4.470 -0.003 0.000 0.224 153 S C 2.066 176.697 174.600 0.052 0.000 1.035 153 S CA 0.710 58.960 58.200 0.085 0.000 0.953 153 S CB -0.855 62.410 63.200 0.108 0.000 0.810 153 S HN 1.383 nan 8.310 nan 0.000 0.497 154 G N 2.436 111.271 108.800 0.058 0.000 2.160 154 G HA2 -0.310 3.649 3.960 -0.003 0.000 0.251 154 G HA3 -0.310 3.649 3.960 -0.003 0.000 0.251 154 G C -0.099 174.909 174.900 0.181 0.000 1.008 154 G CA 0.398 45.552 45.100 0.090 0.000 0.724 154 G HN 1.036 nan 8.290 nan 0.000 0.514 155 K N -0.209 120.284 120.400 0.155 0.000 2.258 155 K HA 0.470 4.789 4.320 -0.003 0.000 0.264 155 K C 0.089 176.893 176.600 0.340 0.000 1.007 155 K CA -0.637 55.771 56.287 0.201 0.000 0.941 155 K CB 0.852 33.419 32.500 0.111 0.000 0.966 155 K HN 0.269 nan 8.250 nan 0.000 0.480 156 Y N 1.116 121.422 120.300 0.011 0.000 2.316 156 Y HA 0.268 4.816 4.550 -0.003 0.000 0.324 156 Y C -0.044 175.860 175.900 0.006 0.000 1.267 156 Y CA -1.415 56.690 58.100 0.009 0.000 1.311 156 Y CB 1.064 39.530 38.460 0.010 0.000 1.267 156 Y HN 0.318 nan 8.280 nan 0.000 0.516 157 L N 1.479 122.779 121.223 0.128 0.000 2.354 157 L HA 0.356 4.694 4.340 -0.003 0.000 0.269 157 L C -0.206 176.696 176.870 0.054 0.000 1.005 157 L CA -0.752 54.130 54.840 0.069 0.000 0.819 157 L CB 2.045 44.120 42.059 0.026 0.000 1.311 157 L HN 0.686 nan 8.230 nan 0.000 0.423 158 S N 1.065 116.791 115.700 0.043 0.000 2.617 158 S HA 0.506 4.974 4.470 -0.003 0.000 0.269 158 S C 1.340 175.946 174.600 0.010 0.000 1.292 158 S CA -0.029 58.189 58.200 0.031 0.000 1.010 158 S CB 1.143 64.360 63.200 0.028 0.000 0.944 158 S HN 0.807 nan 8.310 nan 0.000 0.536 159 A N 1.304 124.126 122.820 0.003 0.000 1.915 159 A HA -0.243 4.076 4.320 -0.003 0.000 0.220 159 A C 1.811 179.389 177.584 -0.010 0.000 1.198 159 A CA 2.523 54.553 52.037 -0.012 0.000 0.647 159 A CB -1.583 17.410 19.000 -0.011 0.000 0.825 159 A HN 1.032 nan 8.150 nan 0.000 0.456 160 D N -0.514 119.884 120.400 -0.003 0.000 2.103 160 D HA -0.163 4.476 4.640 -0.003 0.000 0.199 160 D C 2.042 178.339 176.300 -0.005 0.000 0.978 160 D CA 1.493 55.491 54.000 -0.004 0.000 0.829 160 D CB -0.260 40.537 40.800 -0.005 0.000 0.981 160 D HN 0.724 nan 8.370 nan 0.000 0.464 161 E N 0.187 120.386 120.200 -0.002 0.000 2.268 161 E HA -0.109 4.239 4.350 -0.003 0.000 0.195 161 E C 2.050 178.649 176.600 -0.003 0.000 0.995 161 E CA 0.849 57.248 56.400 -0.001 0.000 0.836 161 E CB -0.204 29.498 29.700 0.005 0.000 0.763 161 E HN 0.326 nan 8.360 nan 0.000 0.491 162 A N 1.903 124.719 122.820 -0.006 0.000 1.873 162 A HA -0.091 4.227 4.320 -0.003 0.000 0.215 162 A C 2.222 179.797 177.584 -0.014 0.000 1.186 162 A CA 1.084 53.112 52.037 -0.014 0.000 0.616 162 A CB -0.566 18.418 19.000 -0.027 0.000 0.823 162 A HN 0.278 nan 8.150 nan 0.000 0.442 163 L N 1.005 122.220 121.223 -0.013 0.000 1.994 163 L HA -0.179 4.159 4.340 -0.003 0.000 0.208 163 L C 2.573 179.443 176.870 0.000 0.000 1.071 163 L CA 2.631 57.468 54.840 -0.007 0.000 0.745 163 L CB -0.580 41.478 42.059 -0.003 0.000 0.892 163 L HN 0.557 nan 8.230 nan 0.000 0.431 164 R N -0.832 119.667 120.500 -0.001 0.000 2.293 164 R HA -0.129 4.209 4.340 -0.003 0.000 0.219 164 R C 1.497 177.797 176.300 0.000 0.000 1.091 164 R CA 1.372 57.472 56.100 -0.000 0.000 1.004 164 R CB -0.471 29.826 30.300 -0.004 0.000 0.865 164 R HN 0.406 nan 8.270 nan 0.000 0.469 165 L N -0.655 120.568 121.223 -0.001 0.000 2.556 165 L HA 0.375 4.714 4.340 -0.003 0.000 0.226 165 L C 1.281 178.151 176.870 0.000 0.000 1.089 165 L CA 1.489 56.329 54.840 -0.001 0.000 0.864 165 L CB 0.851 42.909 42.059 -0.002 0.000 1.067 165 L HN 0.525 nan 8.230 nan 0.000 0.477 166 G N -1.035 107.766 108.800 0.001 0.000 2.253 166 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.209 166 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.209 166 G C 1.162 176.060 174.900 -0.003 0.000 0.997 166 G CA 0.289 45.392 45.100 0.004 0.000 0.640 166 G HN 0.250 nan 8.290 nan 0.000 0.496 167 I N 0.737 121.299 120.570 -0.013 0.000 2.252 167 I HA 0.138 4.306 4.170 -0.003 0.000 0.245 167 I C 1.373 177.464 176.117 -0.043 0.000 1.102 167 I CA 1.044 62.328 61.300 -0.027 0.000 1.385 167 I CB -0.147 37.834 38.000 -0.032 0.000 1.064 167 I HN 0.114 nan 8.210 nan 0.000 0.414 168 L N 0.312 121.510 121.223 -0.041 0.000 2.352 168 L HA 0.248 4.587 4.340 -0.003 0.000 0.269 168 L C 0.497 177.352 176.870 -0.025 0.000 1.034 168 L CA -0.458 54.348 54.840 -0.056 0.000 0.806 168 L CB 1.256 43.276 42.059 -0.065 0.000 1.244 168 L HN -0.030 nan 8.230 nan 0.000 0.447 169 D N 0.634 121.012 120.400 -0.037 0.000 2.323 169 D HA 0.191 4.829 4.640 -0.003 0.000 0.218 169 D C 0.186 176.510 176.300 0.040 0.000 0.973 169 D CA 0.621 54.633 54.000 0.021 0.000 0.890 169 D CB 0.786 41.603 40.800 0.028 0.000 1.011 169 D HN 0.481 nan 8.370 nan 0.000 0.499 170 A N 0.866 123.669 122.820 -0.029 0.000 2.408 170 A HA 0.530 4.848 4.320 -0.003 0.000 0.295 170 A C -0.885 176.691 177.584 -0.012 0.000 1.040 170 A CA -0.542 51.513 52.037 0.030 0.000 0.707 170 A CB 1.725 20.803 19.000 0.131 0.000 1.235 170 A HN -0.095 nan 8.150 nan 0.000 0.418 171 V N 2.955 122.872 119.914 0.006 0.000 2.427 171 V HA 0.655 4.773 4.120 -0.003 0.000 0.286 171 V C 0.222 176.323 176.094 0.012 0.000 1.034 171 V CA -0.289 62.010 62.300 -0.002 0.000 0.893 171 V CB 1.217 33.038 31.823 -0.004 0.000 0.982 171 V HN 1.183 nan 8.190 nan 0.000 0.452 172 V N 2.288 122.207 119.914 0.008 0.000 3.040 172 V HA 0.587 4.705 4.120 -0.003 0.000 0.312 172 V C 0.349 176.450 176.094 0.012 0.000 1.115 172 V CA -0.913 61.396 62.300 0.016 0.000 0.998 172 V CB 2.062 33.899 31.823 0.022 0.000 1.042 172 V HN 0.636 nan 8.190 nan 0.000 0.433 173 K N 0.843 121.252 120.400 0.014 0.000 2.459 173 K HA 0.182 4.501 4.320 -0.003 0.000 0.193 173 K C 0.856 177.465 176.600 0.015 0.000 1.030 173 K CA 0.936 57.232 56.287 0.014 0.000 1.026 173 K CB 0.171 32.680 32.500 0.015 0.000 0.809 173 K HN 0.962 nan 8.250 nan 0.000 0.504 174 S N -0.547 115.162 115.700 0.015 0.000 2.801 174 S HA 0.159 4.627 4.470 -0.003 0.000 0.312 174 S C -0.466 174.144 174.600 0.016 0.000 1.112 174 S CA -1.110 57.099 58.200 0.016 0.000 0.943 174 S CB 0.916 64.126 63.200 0.017 0.000 1.269 174 S HN 0.009 nan 8.310 nan 0.000 0.558 175 D N 2.394 122.805 120.400 0.018 0.000 2.662 175 D HA 0.090 4.729 4.640 -0.003 0.000 0.233 175 D C -1.141 175.170 176.300 0.018 0.000 1.129 175 D CA -1.240 52.772 54.000 0.020 0.000 0.851 175 D CB 0.784 41.596 40.800 0.022 0.000 1.152 175 D HN 0.225 nan 8.370 nan 0.000 0.507 176 P HA -0.098 nan 4.420 nan 0.000 0.220 176 P C 1.480 178.784 177.300 0.008 0.000 1.152 176 P CA 0.292 63.393 63.100 0.002 0.000 0.812 176 P CB 0.312 32.005 31.700 -0.012 0.000 0.792 177 V N 1.189 121.116 119.914 0.022 0.000 2.427 177 V HA -0.203 3.916 4.120 -0.003 0.000 0.248 177 V C 2.787 178.900 176.094 0.032 0.000 1.051 177 V CA 1.901 64.219 62.300 0.030 0.000 1.048 177 V CB -1.241 30.604 31.823 0.037 0.000 0.666 177 V HN 0.194 nan 8.190 nan 0.000 0.456 178 E N 0.617 120.835 120.200 0.030 0.000 2.017 178 E HA -0.315 4.033 4.350 -0.003 0.000 0.193 178 E C 2.223 178.845 176.600 0.036 0.000 0.997 178 E CA 1.716 58.134 56.400 0.031 0.000 0.804 178 E CB -0.127 29.589 29.700 0.027 0.000 0.757 178 E HN 0.576 nan 8.360 nan 0.000 0.448 179 E N 0.588 120.811 120.200 0.037 0.000 2.160 179 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 179 E C 1.585 178.239 176.600 0.090 0.000 0.991 179 E CA 1.523 57.957 56.400 0.058 0.000 0.810 179 E CB -0.331 29.401 29.700 0.054 0.000 0.742 179 E HN 0.363 nan 8.360 nan 0.000 0.466 180 A N 0.015 122.867 122.820 0.053 0.000 1.929 180 A HA -0.050 4.268 4.320 -0.003 0.000 0.216 180 A C 2.244 179.881 177.584 0.088 0.000 1.176 180 A CA 1.220 53.286 52.037 0.049 0.000 0.628 180 A CB -0.537 18.465 19.000 0.004 0.000 0.816 180 A HN 0.315 nan 8.150 nan 0.000 0.444 181 I N 0.064 120.672 120.570 0.064 0.000 2.264 181 I HA -0.275 3.893 4.170 -0.003 0.000 0.248 181 I C 2.389 178.525 176.117 0.032 0.000 1.111 181 I CA 1.491 62.824 61.300 0.055 0.000 1.382 181 I CB -0.073 37.956 38.000 0.048 0.000 1.060 181 I HN 0.251 nan 8.210 nan 0.000 0.418 182 K N -0.372 120.047 120.400 0.030 0.000 2.062 182 K HA -0.122 4.196 4.320 -0.003 0.000 0.205 182 K C 2.220 178.821 176.600 0.002 0.000 1.051 182 K CA 1.324 57.602 56.287 -0.016 0.000 0.941 182 K CB -0.402 32.087 32.500 -0.018 0.000 0.719 182 K HN 0.167 nan 8.250 nan 0.000 0.440 183 F N 2.130 122.026 119.950 -0.090 0.000 2.091 183 F HA -0.305 4.221 4.527 -0.003 0.000 0.299 183 F C 2.412 178.123 175.800 -0.148 0.000 1.103 183 F CA 1.603 59.523 58.000 -0.133 0.000 1.228 183 F CB -0.231 38.685 39.000 -0.141 0.000 0.984 183 F HN 0.033 nan 8.300 nan 0.000 0.477 184 A N 0.014 122.937 122.820 0.171 0.000 1.917 184 A HA -0.288 4.031 4.320 -0.003 0.000 0.219 184 A C 2.104 179.708 177.584 0.033 0.000 1.182 184 A CA 2.001 54.101 52.037 0.105 0.000 0.633 184 A CB -0.818 18.246 19.000 0.107 0.000 0.819 184 A HN 0.591 nan 8.150 nan 0.000 0.448 185 Q N 0.228 120.018 119.800 -0.015 0.000 2.084 185 Q HA -0.209 4.129 4.340 -0.003 0.000 0.202 185 Q C 1.859 177.811 176.000 -0.080 0.000 0.978 185 Q CA 1.681 57.455 55.803 -0.050 0.000 0.844 185 Q CB -0.573 28.106 28.738 -0.099 0.000 0.898 185 Q HN 0.962 nan 8.270 nan 0.000 0.426 186 K N 1.054 121.366 120.400 -0.147 0.000 2.555 186 K HA -0.023 4.295 4.320 -0.003 0.000 0.193 186 K C 1.197 177.692 176.600 -0.175 0.000 1.032 186 K CA 0.755 56.927 56.287 -0.192 0.000 1.004 186 K CB -0.026 32.298 32.500 -0.294 0.000 0.804 186 K HN 0.321 nan 8.250 nan 0.000 0.496 187 I N -4.044 116.456 120.570 -0.116 0.000 4.390 187 I HA 0.236 4.404 4.170 -0.003 0.000 0.334 187 I C 1.113 177.257 176.117 0.045 0.000 1.379 187 I CA -0.466 60.806 61.300 -0.046 0.000 1.197 187 I CB 0.035 37.970 38.000 -0.109 0.000 1.396 187 I HN -0.095 nan 8.210 nan 0.000 0.511 188 I N 1.422 122.012 120.570 0.034 0.000 2.335 188 I HA -0.230 3.938 4.170 -0.003 0.000 0.251 188 I C 1.465 177.619 176.117 0.063 0.000 1.129 188 I CA 1.778 63.118 61.300 0.066 0.000 1.402 188 I CB 0.172 38.206 38.000 0.056 0.000 1.069 188 I HN 0.316 nan 8.210 nan 0.000 0.424 189 D N -0.169 120.255 120.400 0.041 0.000 2.389 189 D HA 0.049 4.687 4.640 -0.003 0.000 0.206 189 D C 0.645 176.965 176.300 0.034 0.000 1.055 189 D CA 0.123 54.144 54.000 0.034 0.000 0.856 189 D CB 0.251 41.064 40.800 0.022 0.000 0.957 189 D HN 0.234 nan 8.370 nan 0.000 0.509 190 K N 1.778 122.205 120.400 0.045 0.000 2.455 190 K HA 0.052 4.371 4.320 -0.003 0.000 0.269 190 K C -2.352 174.276 176.600 0.046 0.000 0.972 190 K CA -0.749 55.569 56.287 0.052 0.000 0.938 190 K CB 0.087 32.639 32.500 0.086 0.000 0.931 190 K HN -0.070 nan 8.250 nan 0.000 0.507 191 P HA 0.102 nan 4.420 nan 0.000 0.280 191 P C 0.241 177.526 177.300 -0.025 0.000 1.244 191 P CA -0.031 63.067 63.100 -0.003 0.000 0.784 191 P CB 0.520 32.214 31.700 -0.012 0.000 0.913 192 I N 0.972 121.494 120.570 -0.080 0.000 2.353 192 I HA -0.205 3.964 4.170 -0.003 0.000 0.248 192 I C 2.242 178.239 176.117 -0.200 0.000 1.119 192 I CA 1.130 62.305 61.300 -0.208 0.000 1.417 192 I CB -0.391 37.430 38.000 -0.299 0.000 1.078 192 I HN 0.375 nan 8.210 nan 0.000 0.421 193 E N 1.812 121.941 120.200 -0.119 0.000 2.108 193 E HA -0.230 4.118 4.350 -0.003 0.000 0.203 193 E C -0.600 175.940 176.600 -0.101 0.000 1.022 193 E CA 2.101 58.442 56.400 -0.098 0.000 0.823 193 E CB -1.305 28.349 29.700 -0.077 0.000 0.744 193 E HN 0.302 nan 8.360 nan 0.000 0.456 194 P HA -0.044 nan 4.420 nan 0.000 0.230 194 P C 0.621 177.873 177.300 -0.081 0.000 1.158 194 P CA 0.921 63.980 63.100 -0.068 0.000 0.769 194 P CB 0.173 31.854 31.700 -0.032 0.000 0.807 195 R N -0.788 119.639 120.500 -0.121 0.000 2.280 195 R HA 0.143 4.481 4.340 -0.003 0.000 0.195 195 R C 0.719 177.000 176.300 -0.031 0.000 0.935 195 R CA 0.104 56.113 56.100 -0.151 0.000 1.033 195 R CB -0.304 29.777 30.300 -0.366 0.000 0.964 195 R HN 0.302 nan 8.270 nan 0.000 0.489 196 R N 1.262 121.758 120.500 -0.008 0.000 2.291 196 R HA 0.175 4.514 4.340 -0.003 0.000 0.333 196 R C 1.102 177.413 176.300 0.018 0.000 1.082 196 R CA -0.099 56.064 56.100 0.104 0.000 0.948 196 R CB 0.326 30.684 30.300 0.097 0.000 1.009 196 R HN 0.047 nan 8.270 nan 0.000 0.460 197 I N 2.811 123.429 120.570 0.080 0.000 2.394 197 I HA -0.306 3.862 4.170 -0.003 0.000 0.251 197 I C 1.964 178.058 176.117 -0.038 0.000 1.136 197 I CA 1.439 62.748 61.300 0.014 0.000 1.425 197 I CB -0.193 37.825 38.000 0.031 0.000 1.079 197 I HN 0.615 nan 8.210 nan 0.000 0.425 198 F N 0.742 120.524 119.950 -0.281 0.000 2.293 198 F HA -0.051 4.474 4.527 -0.003 0.000 0.300 198 F C 1.847 177.409 175.800 -0.397 0.000 1.086 198 F CA 0.825 58.472 58.000 -0.588 0.000 1.375 198 F CB -0.750 37.499 39.000 -1.251 0.000 1.045 198 F HN -0.016 nan 8.300 nan 0.000 0.516 199 N N 0.834 118.981 118.700 -0.923 0.000 2.463 199 N HA -0.010 4.729 4.740 -0.003 0.000 0.181 199 N C -0.154 175.168 175.510 -0.313 0.000 1.078 199 N CA 0.411 53.053 53.050 -0.680 0.000 0.902 199 N CB -0.108 37.952 38.487 -0.712 0.000 0.970 199 N HN 0.443 nan 8.380 nan 0.000 0.451 200 K N 1.493 121.764 120.400 -0.215 0.000 2.249 200 K HA 0.283 4.601 4.320 -0.003 0.000 0.280 200 K C -2.384 174.177 176.600 -0.065 0.000 1.033 200 K CA -1.474 54.747 56.287 -0.110 0.000 0.946 200 K CB 0.529 32.988 32.500 -0.069 0.000 1.005 200 K HN -0.063 nan 8.250 nan 0.000 0.469 201 P HA 0.057 nan 4.420 nan 0.000 0.276 201 P C -0.622 176.686 177.300 0.013 0.000 1.252 201 P CA -0.589 62.508 63.100 -0.007 0.000 0.802 201 P CB 0.564 32.259 31.700 -0.008 0.000 1.035 202 V N 3.404 123.338 119.914 0.034 0.000 2.508 202 V HA 0.121 4.239 4.120 -0.003 0.000 0.281 202 V C -1.829 174.282 176.094 0.028 0.000 1.041 202 V CA -1.161 61.165 62.300 0.042 0.000 1.016 202 V CB -0.236 31.626 31.823 0.066 0.000 0.984 202 V HN 0.593 nan 8.190 nan 0.000 0.478 203 P HA 0.054 nan 4.420 nan 0.000 0.263 203 P C -0.066 177.243 177.300 0.015 0.000 1.175 203 P CA 0.365 63.472 63.100 0.011 0.000 0.761 203 P CB 0.291 31.995 31.700 0.006 0.000 0.794 204 S N 2.596 118.302 115.700 0.011 0.000 2.730 204 S HA 0.808 5.276 4.470 -0.003 0.000 0.284 204 S C -0.468 174.134 174.600 0.003 0.000 1.153 204 S CA -0.786 57.422 58.200 0.014 0.000 0.995 204 S CB 0.838 64.047 63.200 0.014 0.000 1.058 204 S HN 0.282 nan 8.310 nan 0.000 0.552 205 L N 0.110 121.335 121.223 0.003 0.000 2.505 205 L HA 0.397 4.735 4.340 -0.003 0.000 0.259 205 L C -2.183 174.686 176.870 -0.000 0.000 0.952 205 L CA -1.860 52.976 54.840 -0.007 0.000 0.840 205 L CB 2.291 44.335 42.059 -0.025 0.000 1.358 205 L HN 0.427 nan 8.230 nan 0.000 0.409 206 P HA -0.105 nan 4.420 nan 0.000 0.216 206 P C 0.720 178.022 177.300 0.003 0.000 1.153 206 P CA 1.072 64.173 63.100 0.001 0.000 0.848 206 P CB 0.021 31.720 31.700 -0.001 0.000 0.787 207 N N -1.003 117.694 118.700 -0.005 0.000 2.434 207 N HA -0.020 4.718 4.740 -0.003 0.000 0.196 207 N C 1.269 176.775 175.510 -0.007 0.000 1.183 207 N CA 0.153 53.199 53.050 -0.007 0.000 0.849 207 N CB -0.810 37.666 38.487 -0.018 0.000 0.992 207 N HN 0.049 nan 8.380 nan 0.000 0.460 208 M N 1.579 121.182 119.600 0.005 0.000 2.110 208 M HA -0.212 4.267 4.480 -0.003 0.000 0.257 208 M C 1.037 177.392 176.300 0.092 0.000 1.071 208 M CA 1.768 57.080 55.300 0.020 0.000 1.096 208 M CB -0.490 32.160 32.600 0.083 0.000 1.300 208 M HN 0.049 nan 8.290 nan 0.000 0.411 209 D N -0.924 119.552 120.400 0.127 0.000 2.172 209 D HA -0.193 4.446 4.640 -0.003 0.000 0.196 209 D C 2.086 178.456 176.300 0.117 0.000 0.999 209 D CA 1.842 55.936 54.000 0.156 0.000 0.856 209 D CB -0.528 40.324 40.800 0.086 0.000 0.934 209 D HN 0.520 nan 8.370 nan 0.000 0.453 210 S N 0.245 115.976 115.700 0.051 0.000 2.368 210 S HA -0.132 4.336 4.470 -0.003 0.000 0.225 210 S C 2.242 176.836 174.600 -0.010 0.000 1.030 210 S CA 1.178 59.391 58.200 0.021 0.000 0.999 210 S CB -0.266 62.936 63.200 0.003 0.000 0.844 210 S HN 0.076 nan 8.310 nan 0.000 0.459 211 V N 1.162 121.030 119.914 -0.076 0.000 2.392 211 V HA -0.133 3.985 4.120 -0.003 0.000 0.249 211 V C 2.152 178.104 176.094 -0.236 0.000 1.059 211 V CA 2.004 64.187 62.300 -0.195 0.000 1.051 211 V CB -1.086 30.538 31.823 -0.333 0.000 0.658 211 V HN 0.453 nan 8.190 nan 0.000 0.455 212 F N 0.909 120.860 119.950 0.000 0.000 2.039 212 F HA -0.026 4.499 4.527 -0.003 0.000 0.294 212 F C 2.564 178.366 175.800 0.004 0.000 1.130 212 F CA 1.377 59.378 58.000 0.002 0.000 1.189 212 F CB -1.371 37.628 39.000 -0.003 0.000 0.983 212 F HN 0.063 nan 8.300 nan 0.000 0.471 213 A N -0.441 122.487 122.820 0.180 0.000 1.971 213 A HA -0.320 3.999 4.320 -0.003 0.000 0.222 213 A C 2.178 179.798 177.584 0.062 0.000 1.182 213 A CA 2.300 54.396 52.037 0.098 0.000 0.649 213 A CB -1.016 18.025 19.000 0.068 0.000 0.818 213 A HN 0.529 nan 8.150 nan 0.000 0.458 214 E N -0.663 119.559 120.200 0.037 0.000 2.072 214 E HA -0.015 4.333 4.350 -0.003 0.000 0.190 214 E C 2.203 178.811 176.600 0.014 0.000 0.982 214 E CA 0.784 57.191 56.400 0.011 0.000 0.803 214 E CB -0.221 29.470 29.700 -0.016 0.000 0.755 214 E HN 0.563 nan 8.360 nan 0.000 0.453 215 A N 1.442 124.273 122.820 0.018 0.000 1.898 215 A HA -0.141 4.178 4.320 -0.003 0.000 0.216 215 A C 2.121 179.747 177.584 0.070 0.000 1.181 215 A CA 0.961 53.020 52.037 0.036 0.000 0.620 215 A CB -0.469 18.551 19.000 0.034 0.000 0.819 215 A HN 0.294 nan 8.150 nan 0.000 0.442 216 I N -0.124 120.500 120.570 0.091 0.000 2.286 216 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 216 I C 2.857 179.007 176.117 0.054 0.000 1.115 216 I CA 1.587 62.936 61.300 0.081 0.000 1.392 216 I CB -1.275 36.774 38.000 0.082 0.000 1.065 216 I HN 0.389 nan 8.210 nan 0.000 0.418 217 A N 0.677 123.521 122.820 0.040 0.000 1.930 217 A HA -0.202 4.116 4.320 -0.003 0.000 0.215 217 A C 2.424 180.015 177.584 0.011 0.000 1.176 217 A CA 1.419 53.470 52.037 0.023 0.000 0.632 217 A CB -0.423 18.587 19.000 0.017 0.000 0.819 217 A HN 0.366 nan 8.150 nan 0.000 0.445 218 K N -0.480 119.926 120.400 0.011 0.000 2.097 218 K HA -0.063 4.255 4.320 -0.003 0.000 0.206 218 K C 1.673 178.264 176.600 -0.015 0.000 1.049 218 K CA 1.560 57.841 56.287 -0.009 0.000 0.933 218 K CB -0.219 32.279 32.500 -0.003 0.000 0.717 218 K HN 0.170 nan 8.250 nan 0.000 0.442 219 V N 0.913 120.854 119.914 0.045 0.000 2.649 219 V HA -0.063 4.055 4.120 -0.003 0.000 0.248 219 V C 2.069 178.221 176.094 0.097 0.000 1.054 219 V CA 1.257 63.632 62.300 0.124 0.000 1.073 219 V CB -0.274 31.649 31.823 0.167 0.000 0.699 219 V HN 0.312 nan 8.190 nan 0.000 0.463 220 R N -0.370 120.159 120.500 0.049 0.000 2.153 220 R HA -0.072 4.266 4.340 -0.003 0.000 0.218 220 R C 2.318 178.619 176.300 0.002 0.000 1.072 220 R CA 1.070 57.188 56.100 0.031 0.000 0.990 220 R CB -0.121 30.194 30.300 0.026 0.000 0.889 220 R HN 0.400 nan 8.270 nan 0.000 0.452 221 K N 0.854 121.239 120.400 -0.025 0.000 2.044 221 K HA -0.089 4.230 4.320 -0.003 0.000 0.204 221 K C 1.869 178.403 176.600 -0.111 0.000 1.045 221 K CA 1.041 57.298 56.287 -0.051 0.000 0.951 221 K CB 0.201 32.672 32.500 -0.049 0.000 0.738 221 K HN 0.106 nan 8.250 nan 0.000 0.443 222 Q N -0.797 118.873 119.800 -0.218 0.000 2.167 222 Q HA -0.116 4.223 4.340 -0.003 0.000 0.202 222 Q C -0.087 175.587 176.000 -0.543 0.000 0.970 222 Q CA 1.134 56.653 55.803 -0.474 0.000 0.855 222 Q CB 0.276 28.530 28.738 -0.806 0.000 0.911 222 Q HN 0.317 nan 8.270 nan 0.000 0.438 223 Y N -0.094 120.185 120.300 -0.034 0.000 2.470 223 Y HA 0.273 4.821 4.550 -0.003 0.000 0.352 223 Y C -2.240 173.604 175.900 -0.094 0.000 0.967 223 Y CA -3.237 54.824 58.100 -0.066 0.000 1.121 223 Y CB 0.366 38.781 38.460 -0.075 0.000 1.149 223 Y HN 0.021 nan 8.280 nan 0.000 0.641 224 P HA 0.048 nan 4.420 nan 0.000 0.260 224 P C 1.103 178.375 177.300 -0.047 0.000 1.185 224 P CA 1.628 64.729 63.100 0.003 0.000 0.763 224 P CB 1.018 32.723 31.700 0.008 0.000 0.776 225 G N 1.959 110.726 108.800 -0.054 0.000 2.184 225 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.264 225 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.264 225 G C 0.033 174.811 174.900 -0.204 0.000 0.975 225 G CA 0.111 45.158 45.100 -0.089 0.000 0.642 225 G HN 0.738 nan 8.290 nan 0.000 0.536 226 V N 2.069 121.814 119.914 -0.283 0.000 2.406 226 V HA 0.631 4.749 4.120 -0.003 0.000 0.272 226 V C 1.704 177.701 176.094 -0.161 0.000 1.043 226 V CA -0.030 62.063 62.300 -0.345 0.000 0.915 226 V CB 0.857 32.365 31.823 -0.524 0.000 0.988 226 V HN 0.294 nan 8.190 nan 0.000 0.466 227 L N 5.932 127.080 121.223 -0.125 0.000 2.012 227 L HA -0.086 4.252 4.340 -0.003 0.000 0.210 227 L C 2.772 179.612 176.870 -0.050 0.000 1.073 227 L CA 1.999 56.806 54.840 -0.054 0.000 0.748 227 L CB -0.899 41.120 42.059 -0.067 0.000 0.891 227 L HN 0.827 nan 8.230 nan 0.000 0.431 228 A N 0.571 123.327 122.820 -0.106 0.000 1.865 228 A HA -0.143 4.175 4.320 -0.003 0.000 0.217 228 A C 0.074 177.615 177.584 -0.072 0.000 1.191 228 A CA 1.978 53.956 52.037 -0.099 0.000 0.623 228 A CB -1.880 17.035 19.000 -0.141 0.000 0.826 228 A HN 0.307 nan 8.150 nan 0.000 0.444 229 P HA -0.133 nan 4.420 nan 0.000 0.217 229 P C 1.434 178.744 177.300 0.017 0.000 1.150 229 P CA 1.475 64.533 63.100 -0.071 0.000 0.832 229 P CB -0.033 31.586 31.700 -0.135 0.000 0.787 230 E N -0.718 119.499 120.200 0.028 0.000 2.047 230 E HA -0.136 4.212 4.350 -0.003 0.000 0.191 230 E C 1.625 178.256 176.600 0.052 0.000 0.987 230 E CA 1.612 58.044 56.400 0.053 0.000 0.799 230 E CB -0.458 29.271 29.700 0.048 0.000 0.752 230 E HN 0.086 nan 8.360 nan 0.000 0.449 231 T N 0.490 115.077 114.554 0.054 0.000 2.699 231 T HA -0.228 4.120 4.350 -0.003 0.000 0.268 231 T C 2.014 176.746 174.700 0.053 0.000 1.036 231 T CA 1.289 63.429 62.100 0.067 0.000 1.147 231 T CB -0.615 68.326 68.868 0.123 0.000 0.862 231 T HN 0.337 nan 8.240 nan 0.000 0.446 232 C N 0.925 120.252 119.300 0.045 0.000 2.385 232 C HA -0.095 4.363 4.460 -0.003 0.000 0.275 232 C C 2.834 177.868 174.990 0.074 0.000 1.207 232 C CA 0.463 59.511 59.018 0.050 0.000 1.760 232 C CB -1.339 26.422 27.740 0.035 0.000 2.051 232 C HN 0.389 nan 8.230 nan 0.000 0.467 233 V N 1.217 121.186 119.914 0.091 0.000 2.231 233 V HA -0.258 3.860 4.120 -0.003 0.000 0.248 233 V C 2.683 178.829 176.094 0.088 0.000 1.054 233 V CA 2.013 64.401 62.300 0.146 0.000 1.015 233 V CB -0.646 31.278 31.823 0.168 0.000 0.638 233 V HN 0.464 nan 8.190 nan 0.000 0.444 234 R N -0.254 120.257 120.500 0.020 0.000 2.105 234 R HA -0.133 4.205 4.340 -0.003 0.000 0.239 234 R C 2.561 178.827 176.300 -0.057 0.000 1.135 234 R CA 1.658 57.723 56.100 -0.058 0.000 0.967 234 R CB -1.163 29.111 30.300 -0.043 0.000 0.861 234 R HN 0.518 nan 8.270 nan 0.000 0.442 235 S N 0.575 116.275 115.700 -0.001 0.000 2.402 235 S HA 0.006 4.475 4.470 -0.003 0.000 0.229 235 S C 1.965 176.576 174.600 0.019 0.000 1.021 235 S CA 0.579 58.785 58.200 0.009 0.000 0.974 235 S CB -0.012 63.208 63.200 0.034 0.000 0.800 235 S HN 0.195 nan 8.310 nan 0.000 0.484 236 I N 0.770 121.375 120.570 0.058 0.000 2.406 236 I HA -0.116 4.052 4.170 -0.003 0.000 0.249 236 I C 2.664 178.827 176.117 0.076 0.000 1.122 236 I CA 0.885 62.259 61.300 0.123 0.000 1.431 236 I CB -0.282 37.852 38.000 0.222 0.000 1.087 236 I HN 0.365 nan 8.210 nan 0.000 0.424 237 Q N 0.881 120.583 119.800 -0.163 0.000 2.112 237 Q HA -0.272 4.066 4.340 -0.003 0.000 0.206 237 Q C 2.309 178.126 176.000 -0.304 0.000 0.987 237 Q CA 2.051 57.448 55.803 -0.676 0.000 0.858 237 Q CB -0.152 27.987 28.738 -0.997 0.000 0.905 237 Q HN 0.579 nan 8.270 nan 0.000 0.420 238 A N 0.329 123.062 122.820 -0.145 0.000 2.032 238 A HA -0.222 4.096 4.320 -0.003 0.000 0.221 238 A C 2.108 179.696 177.584 0.006 0.000 1.165 238 A CA 1.899 53.919 52.037 -0.028 0.000 0.645 238 A CB -0.682 18.350 19.000 0.055 0.000 0.807 238 A HN 0.590 nan 8.150 nan 0.000 0.453 239 S N -1.096 114.616 115.700 0.020 0.000 2.461 239 S HA -0.003 4.465 4.470 -0.003 0.000 0.228 239 S C 1.546 176.177 174.600 0.052 0.000 1.005 239 S CA 1.102 59.342 58.200 0.067 0.000 0.942 239 S CB -0.295 62.966 63.200 0.102 0.000 0.776 239 S HN 0.220 nan 8.310 nan 0.000 0.514 240 V N 1.487 121.412 119.914 0.018 0.000 2.725 240 V HA 0.077 4.196 4.120 -0.003 0.000 0.247 240 V C 2.542 178.587 176.094 -0.082 0.000 1.058 240 V CA 1.254 63.567 62.300 0.022 0.000 1.080 240 V CB -0.383 31.508 31.823 0.112 0.000 0.713 240 V HN 0.446 nan 8.190 nan 0.000 0.465 241 K N -1.123 119.137 120.400 -0.235 0.000 2.076 241 K HA 0.027 4.345 4.320 -0.003 0.000 0.204 241 K C 0.488 176.804 176.600 -0.472 0.000 1.051 241 K CA 0.759 56.764 56.287 -0.470 0.000 0.949 241 K CB 0.063 32.046 32.500 -0.863 0.000 0.726 241 K HN 0.502 nan 8.250 nan 0.000 0.443 242 H N -0.384 118.684 119.070 -0.003 0.000 2.797 242 H HA 0.288 4.842 4.556 -0.003 0.000 0.372 242 H C -2.342 173.006 175.328 0.034 0.000 1.168 242 H CA -2.498 53.553 56.048 0.005 0.000 1.163 242 H CB 1.038 30.791 29.762 -0.014 0.000 1.778 242 H HN -0.041 nan 8.280 nan 0.000 0.551 243 P HA -0.083 nan 4.420 nan 0.000 0.271 243 P C 0.760 178.174 177.300 0.189 0.000 1.238 243 P CA 0.008 63.202 63.100 0.158 0.000 0.794 243 P CB 1.147 32.922 31.700 0.125 0.000 0.959 244 Y N 1.253 121.609 120.300 0.093 0.000 2.145 244 Y HA -0.271 4.278 4.550 -0.003 0.000 0.286 244 Y C 2.125 178.076 175.900 0.084 0.000 1.145 244 Y CA 2.095 60.260 58.100 0.109 0.000 1.148 244 Y CB -0.365 38.201 38.460 0.177 0.000 0.981 244 Y HN 0.320 nan 8.280 nan 0.000 0.507 245 E N -0.440 119.840 120.200 0.134 0.000 2.209 245 E HA -0.164 4.184 4.350 -0.003 0.000 0.196 245 E C 2.089 178.645 176.600 -0.073 0.000 0.993 245 E CA 1.478 57.889 56.400 0.018 0.000 0.819 245 E CB -0.492 29.254 29.700 0.076 0.000 0.745 245 E HN 0.397 nan 8.360 nan 0.000 0.477 246 V N 0.014 119.897 119.914 -0.052 0.000 2.500 246 V HA 0.007 4.126 4.120 -0.003 0.000 0.243 246 V C 2.206 178.222 176.094 -0.130 0.000 1.039 246 V CA 1.634 63.868 62.300 -0.111 0.000 1.053 246 V CB -0.735 31.005 31.823 -0.138 0.000 0.695 246 V HN 0.419 nan 8.190 nan 0.000 0.463 247 G N 0.309 109.067 108.800 -0.070 0.000 2.432 247 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.219 247 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.219 247 G C 1.487 176.291 174.900 -0.160 0.000 1.135 247 G CA 0.675 45.742 45.100 -0.054 0.000 0.767 247 G HN 0.320 nan 8.290 nan 0.000 0.550 248 I N 1.249 121.634 120.570 -0.309 0.000 2.145 248 I HA -0.169 3.999 4.170 -0.003 0.000 0.244 248 I C 2.595 178.594 176.117 -0.197 0.000 1.075 248 I CA 1.174 62.267 61.300 -0.347 0.000 1.332 248 I CB -0.596 37.113 38.000 -0.485 0.000 1.033 248 I HN 0.192 nan 8.210 nan 0.000 0.410 249 K N -0.339 119.966 120.400 -0.158 0.000 2.155 249 K HA -0.184 4.134 4.320 -0.003 0.000 0.203 249 K C 1.978 178.526 176.600 -0.088 0.000 1.052 249 K CA 1.046 57.267 56.287 -0.112 0.000 0.948 249 K CB -0.010 32.426 32.500 -0.107 0.000 0.728 249 K HN 0.224 nan 8.250 nan 0.000 0.448 250 E N 1.661 121.807 120.200 -0.090 0.000 2.112 250 E HA -0.167 4.181 4.350 -0.003 0.000 0.190 250 E C 1.844 178.424 176.600 -0.033 0.000 0.979 250 E CA 1.076 57.439 56.400 -0.062 0.000 0.814 250 E CB 0.110 29.782 29.700 -0.048 0.000 0.762 250 E HN 0.246 nan 8.360 nan 0.000 0.460 251 E N 0.313 120.488 120.200 -0.043 0.000 2.110 251 E HA -0.274 4.074 4.350 -0.003 0.000 0.193 251 E C 1.957 178.564 176.600 0.012 0.000 0.988 251 E CA 1.314 57.702 56.400 -0.019 0.000 0.804 251 E CB -0.075 29.587 29.700 -0.063 0.000 0.745 251 E HN 0.436 nan 8.360 nan 0.000 0.458 252 E N 0.651 120.835 120.200 -0.028 0.000 2.047 252 E HA -0.210 4.139 4.350 -0.003 0.000 0.191 252 E C 2.051 178.698 176.600 0.078 0.000 0.987 252 E CA 1.106 57.508 56.400 0.002 0.000 0.799 252 E CB 0.088 29.760 29.700 -0.047 0.000 0.752 252 E HN 0.092 nan 8.360 nan 0.000 0.449 253 K N 0.293 120.712 120.400 0.032 0.000 2.020 253 K HA -0.168 4.150 4.320 -0.003 0.000 0.212 253 K C 2.333 178.981 176.600 0.081 0.000 1.050 253 K CA 1.731 58.039 56.287 0.036 0.000 0.929 253 K CB -0.255 32.237 32.500 -0.015 0.000 0.714 253 K HN 0.229 nan 8.250 nan 0.000 0.443 254 L N -0.086 121.184 121.223 0.078 0.000 2.046 254 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 254 L C 2.399 179.382 176.870 0.189 0.000 1.077 254 L CA 0.980 55.896 54.840 0.126 0.000 0.747 254 L CB -0.488 41.619 42.059 0.080 0.000 0.896 254 L HN 0.142 nan 8.230 nan 0.000 0.432 255 F N 1.008 120.960 119.950 0.004 0.000 2.065 255 F HA -0.320 4.205 4.527 -0.003 0.000 0.298 255 F C 2.556 178.328 175.800 -0.047 0.000 1.112 255 F CA 1.867 59.840 58.000 -0.045 0.000 1.212 255 F CB -0.164 38.787 39.000 -0.081 0.000 0.975 255 F HN -0.036 nan 8.300 nan 0.000 0.476 256 M N -1.445 118.189 119.600 0.056 0.000 2.200 256 M HA -0.193 4.285 4.480 -0.003 0.000 0.265 256 M C 2.244 178.499 176.300 -0.075 0.000 1.066 256 M CA 1.779 57.050 55.300 -0.049 0.000 1.127 256 M CB -1.369 31.264 32.600 0.055 0.000 1.379 256 M HN 0.372 nan 8.290 nan 0.000 0.420 257 Y N 1.840 122.072 120.300 -0.114 0.000 2.097 257 Y HA -0.289 4.259 4.550 -0.003 0.000 0.282 257 Y C 2.185 177.992 175.900 -0.154 0.000 1.152 257 Y CA 1.508 59.542 58.100 -0.109 0.000 1.136 257 Y CB -0.236 38.182 38.460 -0.071 0.000 0.975 257 Y HN -0.007 nan 8.280 nan 0.000 0.498 258 L N 1.561 122.570 121.223 -0.356 0.000 2.012 258 L HA -0.233 4.106 4.340 -0.003 0.000 0.210 258 L C 2.669 179.261 176.870 -0.464 0.000 1.073 258 L CA 2.407 56.962 54.840 -0.474 0.000 0.748 258 L CB -1.214 40.663 42.059 -0.303 0.000 0.891 258 L HN 0.474 nan 8.230 nan 0.000 0.431 259 R N -0.610 119.579 120.500 -0.518 0.000 2.307 259 R HA 0.084 4.422 4.340 -0.003 0.000 0.199 259 R C 1.285 177.379 176.300 -0.343 0.000 1.000 259 R CA 0.959 56.762 56.100 -0.495 0.000 1.023 259 R CB -0.298 29.573 30.300 -0.715 0.000 0.908 259 R HN 0.227 nan 8.270 nan 0.000 0.473 260 A N 1.264 123.891 122.820 -0.322 0.000 2.423 260 A HA 0.179 4.497 4.320 -0.003 0.000 0.246 260 A C 0.472 177.901 177.584 -0.258 0.000 1.278 260 A CA -0.163 51.712 52.037 -0.270 0.000 0.903 260 A CB 0.144 19.020 19.000 -0.207 0.000 0.997 260 A HN 0.482 nan 8.150 nan 0.000 0.510 261 S N -1.723 113.801 115.700 -0.294 0.000 2.672 261 S HA 0.528 4.996 4.470 -0.003 0.000 0.276 261 S C 1.294 175.815 174.600 -0.131 0.000 1.207 261 S CA 0.058 58.109 58.200 -0.248 0.000 1.002 261 S CB 1.346 64.338 63.200 -0.346 0.000 0.998 261 S HN 0.447 nan 8.310 nan 0.000 0.542 262 G N 0.233 108.995 108.800 -0.063 0.000 2.408 262 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.217 262 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.217 262 G C 1.253 176.191 174.900 0.064 0.000 1.150 262 G CA 0.420 45.541 45.100 0.035 0.000 0.776 262 G HN 0.787 nan 8.290 nan 0.000 0.542 263 Q N 0.219 120.025 119.800 0.010 0.000 2.167 263 Q HA 0.068 4.406 4.340 -0.003 0.000 0.202 263 Q C 2.954 178.933 176.000 -0.034 0.000 0.970 263 Q CA 0.955 56.767 55.803 0.013 0.000 0.855 263 Q CB -0.200 28.533 28.738 -0.008 0.000 0.911 263 Q HN 0.479 nan 8.270 nan 0.000 0.438 264 A N 2.488 125.261 122.820 -0.078 0.000 1.902 264 A HA -0.231 4.087 4.320 -0.003 0.000 0.217 264 A C 2.081 179.644 177.584 -0.035 0.000 1.181 264 A CA 1.798 53.778 52.037 -0.095 0.000 0.623 264 A CB -0.392 18.510 19.000 -0.164 0.000 0.818 264 A HN 0.385 nan 8.150 nan 0.000 0.443 265 K N -0.617 119.791 120.400 0.014 0.000 2.228 265 K HA 0.269 4.587 4.320 -0.003 0.000 0.202 265 K C 1.978 178.612 176.600 0.057 0.000 1.051 265 K CA 1.069 57.415 56.287 0.099 0.000 0.960 265 K CB -0.361 32.242 32.500 0.172 0.000 0.743 265 K HN 0.213 nan 8.250 nan 0.000 0.458 266 A N 2.202 125.000 122.820 -0.038 0.000 1.858 266 A HA -0.078 4.240 4.320 -0.003 0.000 0.216 266 A C 2.211 179.642 177.584 -0.255 0.000 1.190 266 A CA 1.401 53.185 52.037 -0.423 0.000 0.617 266 A CB -0.769 18.110 19.000 -0.200 0.000 0.827 266 A HN 0.290 nan 8.150 nan 0.000 0.443 267 L N -0.971 120.184 121.223 -0.113 0.000 2.093 267 L HA -0.232 4.106 4.340 -0.003 0.000 0.208 267 L C 2.871 179.684 176.870 -0.095 0.000 1.085 267 L CA 1.541 56.328 54.840 -0.088 0.000 0.755 267 L CB -0.512 41.504 42.059 -0.070 0.000 0.904 267 L HN 0.463 nan 8.230 nan 0.000 0.435 268 Q N -1.254 118.493 119.800 -0.089 0.000 2.119 268 Q HA -0.245 4.093 4.340 -0.003 0.000 0.201 268 Q C 2.073 178.030 176.000 -0.071 0.000 0.972 268 Q CA 1.794 57.507 55.803 -0.151 0.000 0.847 268 Q CB -0.333 28.354 28.738 -0.086 0.000 0.903 268 Q HN 0.482 nan 8.270 nan 0.000 0.433 269 Y N 1.169 121.425 120.300 -0.073 0.000 2.081 269 Y HA -0.327 4.222 4.550 -0.003 0.000 0.280 269 Y C 2.198 178.074 175.900 -0.040 0.000 1.163 269 Y CA 1.648 59.741 58.100 -0.012 0.000 1.135 269 Y CB -0.638 37.714 38.460 -0.179 0.000 0.970 269 Y HN 0.075 nan 8.280 nan 0.000 0.498 270 A N 0.180 122.816 122.820 -0.308 0.000 1.917 270 A HA -0.269 4.049 4.320 -0.003 0.000 0.219 270 A C 2.259 179.695 177.584 -0.246 0.000 1.182 270 A CA 1.890 53.736 52.037 -0.319 0.000 0.633 270 A CB -1.683 17.236 19.000 -0.136 0.000 0.819 270 A HN 0.731 nan 8.150 nan 0.000 0.448 271 F N -0.651 119.093 119.950 -0.343 0.000 2.113 271 F HA -0.088 4.437 4.527 -0.003 0.000 0.297 271 F C 1.980 177.597 175.800 -0.305 0.000 1.103 271 F CA 1.664 59.453 58.000 -0.350 0.000 1.248 271 F CB -0.348 38.345 39.000 -0.512 0.000 0.999 271 F HN 0.234 nan 8.300 nan 0.000 0.475 272 F N 0.274 120.156 119.950 -0.114 0.000 2.146 272 F HA -0.121 4.404 4.527 -0.003 0.000 0.298 272 F C 2.631 178.243 175.800 -0.314 0.000 1.096 272 F CA 0.587 58.464 58.000 -0.205 0.000 1.275 272 F CB -0.888 38.076 39.000 -0.061 0.000 1.008 272 F HN 0.103 nan 8.300 nan 0.000 0.480 273 A N 0.363 123.020 122.820 -0.271 0.000 1.892 273 A HA -0.270 4.048 4.320 -0.003 0.000 0.218 273 A C 1.963 179.424 177.584 -0.206 0.000 1.188 273 A CA 2.131 53.978 52.037 -0.317 0.000 0.631 273 A CB -0.885 17.748 19.000 -0.612 0.000 0.822 273 A HN 0.422 nan 8.150 nan 0.000 0.447 274 E N -0.304 119.743 120.200 -0.255 0.000 2.058 274 E HA -0.182 4.166 4.350 -0.003 0.000 0.194 274 E C 1.726 178.149 176.600 -0.296 0.000 0.997 274 E CA 1.357 57.599 56.400 -0.262 0.000 0.801 274 E CB -0.083 29.444 29.700 -0.289 0.000 0.746 274 E HN 0.361 nan 8.360 nan 0.000 0.450 275 K N 0.355 120.544 120.400 -0.350 0.000 2.515 275 K HA -0.034 4.284 4.320 -0.003 0.000 0.196 275 K C 1.931 178.405 176.600 -0.210 0.000 1.038 275 K CA 0.911 57.019 56.287 -0.299 0.000 0.967 275 K CB 0.167 32.475 32.500 -0.319 0.000 0.780 275 K HN 0.137 nan 8.250 nan 0.000 0.483 276 S N -0.859 114.739 115.700 -0.170 0.000 2.511 276 S HA 0.173 4.641 4.470 -0.003 0.000 0.214 276 S C 2.019 176.556 174.600 -0.106 0.000 0.997 276 S CA 0.270 58.395 58.200 -0.124 0.000 0.908 276 S CB 0.422 63.608 63.200 -0.023 0.000 0.803 276 S HN 0.166 nan 8.310 nan 0.000 0.504 277 A N 2.474 125.139 122.820 -0.257 0.000 2.067 277 A HA 0.048 4.366 4.320 -0.003 0.000 0.219 277 A C 1.765 179.145 177.584 -0.339 0.000 1.158 277 A CA 1.321 53.029 52.037 -0.549 0.000 0.661 277 A CB -0.911 17.826 19.000 -0.438 0.000 0.801 277 A HN 0.710 nan 8.150 nan 0.000 0.452 278 N N -0.367 118.189 118.700 -0.239 0.000 2.461 278 N HA 0.007 4.746 4.740 -0.003 0.000 0.188 278 N C -0.379 175.029 175.510 -0.170 0.000 1.134 278 N CA 0.233 53.195 53.050 -0.147 0.000 0.878 278 N CB 0.262 38.661 38.487 -0.147 0.000 0.972 278 N HN 0.066 nan 8.380 nan 0.000 0.456 279 K N 1.835 122.022 120.400 -0.355 0.000 2.459 279 K HA 0.103 4.421 4.320 -0.003 0.000 0.218 279 K C -0.391 175.972 176.600 -0.396 0.000 1.067 279 K CA -0.357 55.375 56.287 -0.924 0.000 1.045 279 K CB -0.252 31.468 32.500 -1.301 0.000 1.623 279 K HN 0.250 nan 8.250 nan 0.000 0.509 280 W N 1.132 122.406 121.300 -0.043 0.000 2.141 280 W HA 0.580 5.238 4.660 -0.003 0.000 0.354 280 W C -0.091 176.623 176.519 0.324 0.000 1.297 280 W CA -0.720 56.726 57.345 0.169 0.000 1.380 280 W CB 0.238 29.755 29.460 0.095 0.000 1.168 280 W HN 0.325 nan 8.180 nan 0.000 0.639 281 S N 0.146 116.209 115.700 0.604 0.000 2.595 281 S HA 0.579 5.047 4.470 -0.003 0.000 0.270 281 S C -0.796 174.035 174.600 0.385 0.000 1.145 281 S CA -0.353 58.083 58.200 0.393 0.000 0.825 281 S CB 1.438 64.762 63.200 0.208 0.000 1.107 281 S HN 0.947 nan 8.310 nan 0.000 0.461 282 T N -1.690 113.027 114.554 0.272 0.000 2.887 282 T HA 0.767 5.116 4.350 -0.003 0.000 0.292 282 T C -2.487 172.286 174.700 0.121 0.000 1.087 282 T CA -1.820 60.404 62.100 0.207 0.000 1.009 282 T CB 1.284 70.275 68.868 0.204 0.000 1.203 282 T HN 0.353 nan 8.240 nan 0.000 0.518 283 P HA 0.045 nan 4.420 nan 0.000 0.223 283 P C 1.297 178.659 177.300 0.102 0.000 1.151 283 P CA 0.681 63.908 63.100 0.213 0.000 0.787 283 P CB -0.087 31.807 31.700 0.323 0.000 0.788 284 S N -1.313 114.439 115.700 0.086 0.000 2.720 284 S HA 0.280 4.749 4.470 -0.003 0.000 0.222 284 S C 1.649 176.260 174.600 0.018 0.000 0.958 284 S CA 0.425 58.662 58.200 0.062 0.000 0.943 284 S CB -1.477 61.765 63.200 0.071 0.000 0.779 284 S HN 0.301 nan 8.310 nan 0.000 0.526 285 G N 0.500 109.277 108.800 -0.039 0.000 2.234 285 G HA2 -0.210 3.749 3.960 -0.003 0.000 0.260 285 G HA3 -0.210 3.749 3.960 -0.003 0.000 0.260 285 G C 0.361 175.239 174.900 -0.038 0.000 0.987 285 G CA -0.035 45.021 45.100 -0.073 0.000 0.625 285 G HN 1.445 nan 8.290 nan 0.000 0.532 286 A N 0.058 122.900 122.820 0.036 0.000 2.498 286 A HA 0.720 5.038 4.320 -0.003 0.000 0.239 286 A C 0.773 178.350 177.584 -0.011 0.000 1.068 286 A CA 1.493 53.568 52.037 0.063 0.000 0.766 286 A CB 0.451 19.576 19.000 0.208 0.000 1.003 286 A HN 2.204 nan 8.150 nan 0.000 0.497 287 S N 2.280 117.791 115.700 -0.316 0.000 2.625 287 S HA 0.473 4.942 4.470 -0.003 0.000 0.271 287 S C 0.780 174.604 174.600 -1.293 0.000 1.161 287 S CA -0.080 57.674 58.200 -0.744 0.000 0.820 287 S CB 0.225 63.170 63.200 -0.424 0.000 1.137 287 S HN 1.551 nan 8.310 nan 0.000 0.470 288 W N 1.700 121.896 121.300 -1.840 0.000 2.292 288 W HA -0.213 4.445 4.660 -0.003 0.000 0.304 288 W C 0.805 177.004 176.519 -0.533 0.000 1.228 288 W CA 1.869 58.464 57.345 -1.251 0.000 1.241 288 W CB -1.319 27.605 29.460 -0.894 0.000 1.142 288 W HN 0.801 nan 8.180 nan 0.000 0.520 289 K N 0.609 120.177 120.400 -1.387 0.000 2.209 289 K HA -0.091 4.228 4.320 -0.003 0.000 0.204 289 K C 1.584 177.825 176.600 -0.599 0.000 1.048 289 K CA 2.121 57.656 56.287 -1.253 0.000 0.940 289 K CB -0.342 31.476 32.500 -1.136 0.000 0.729 289 K HN 0.290 nan 8.250 nan 0.000 0.451 290 T N -2.834 111.443 114.554 -0.461 0.000 3.571 290 T HA 0.615 4.963 4.350 -0.003 0.000 0.292 290 T C -0.404 174.214 174.700 -0.137 0.000 0.994 290 T CA -0.668 61.279 62.100 -0.255 0.000 0.996 290 T CB 0.739 69.474 68.868 -0.222 0.000 1.185 290 T HN 0.057 nan 8.240 nan 0.000 0.482 291 A N 0.280 123.040 122.820 -0.101 0.000 2.515 291 A HA 0.856 5.174 4.320 -0.003 0.000 0.298 291 A C -0.576 177.071 177.584 0.106 0.000 1.059 291 A CA -0.773 51.304 52.037 0.067 0.000 0.698 291 A CB 2.075 21.219 19.000 0.240 0.000 1.289 291 A HN 0.271 nan 8.150 nan 0.000 0.404 292 S N 0.023 115.797 115.700 0.122 0.000 2.500 292 S HA 0.708 5.176 4.470 -0.003 0.000 0.301 292 S C 0.032 174.706 174.600 0.124 0.000 1.092 292 S CA 0.064 58.329 58.200 0.108 0.000 1.030 292 S CB 1.242 64.487 63.200 0.075 0.000 1.031 292 S HN 1.683 nan 8.310 nan 0.000 0.483 293 A N 3.964 126.851 122.820 0.111 0.000 2.354 293 A HA 0.546 4.864 4.320 -0.003 0.000 0.269 293 A C 0.024 177.660 177.584 0.086 0.000 1.109 293 A CA -0.478 51.606 52.037 0.078 0.000 0.800 293 A CB 0.348 19.384 19.000 0.060 0.000 1.045 293 A HN 0.756 nan 8.150 nan 0.000 0.489 294 Q N 0.954 120.817 119.800 0.105 0.000 2.259 294 Q HA 0.360 4.698 4.340 -0.003 0.000 0.246 294 Q C -2.301 173.768 176.000 0.115 0.000 0.920 294 Q CA -1.540 54.355 55.803 0.153 0.000 0.895 294 Q CB 0.378 29.299 28.738 0.304 0.000 1.220 294 Q HN 0.477 nan 8.270 nan 0.000 0.439 295 P HA 0.174 nan 4.420 nan 0.000 0.275 295 P C -0.953 176.405 177.300 0.097 0.000 1.228 295 P CA -0.235 62.913 63.100 0.080 0.000 0.786 295 P CB 0.668 32.406 31.700 0.064 0.000 0.927 296 V N 1.901 121.861 119.914 0.077 0.000 2.524 296 V HA 0.215 4.333 4.120 -0.003 0.000 0.297 296 V C 0.547 176.672 176.094 0.051 0.000 1.035 296 V CA -0.076 62.270 62.300 0.076 0.000 0.867 296 V CB 1.645 33.515 31.823 0.079 0.000 1.004 296 V HN 0.706 nan 8.190 nan 0.000 0.426 297 S N 1.425 117.144 115.700 0.031 0.000 2.604 297 S HA 0.199 4.667 4.470 -0.003 0.000 0.235 297 S C 0.562 175.156 174.600 -0.011 0.000 1.043 297 S CA 0.199 58.410 58.200 0.017 0.000 0.997 297 S CB 0.629 63.839 63.200 0.016 0.000 0.956 297 S HN 0.889 nan 8.310 nan 0.000 0.535 298 S N 0.831 116.512 115.700 -0.032 0.000 2.557 298 S HA 0.806 5.274 4.470 -0.003 0.000 0.291 298 S C -0.987 173.538 174.600 -0.125 0.000 1.116 298 S CA -0.626 57.531 58.200 -0.073 0.000 0.992 298 S CB 1.964 65.127 63.200 -0.061 0.000 1.028 298 S HN 0.136 nan 8.310 nan 0.000 0.484 299 V N 2.213 122.000 119.914 -0.212 0.000 2.709 299 V HA 0.828 4.946 4.120 -0.003 0.000 0.308 299 V C 0.562 176.469 176.094 -0.311 0.000 1.062 299 V CA -0.410 61.682 62.300 -0.347 0.000 0.901 299 V CB 2.139 33.503 31.823 -0.766 0.000 1.003 299 V HN 1.172 nan 8.190 nan 0.000 0.425 300 G N 2.329 110.974 108.800 -0.258 0.000 2.372 300 G HA2 0.594 4.552 3.960 -0.003 0.000 0.323 300 G HA3 0.594 4.552 3.960 -0.003 0.000 0.323 300 G C -1.069 173.720 174.900 -0.185 0.000 1.152 300 G CA -0.451 44.532 45.100 -0.196 0.000 0.906 300 G HN 0.554 nan 8.290 nan 0.000 0.460 301 V N 3.664 123.489 119.914 -0.148 0.000 2.311 301 V HA 0.277 4.395 4.120 -0.003 0.000 0.275 301 V C -0.384 175.670 176.094 -0.068 0.000 1.022 301 V CA -0.747 61.495 62.300 -0.098 0.000 0.830 301 V CB 1.079 32.859 31.823 -0.071 0.000 1.012 301 V HN 0.601 nan 8.190 nan 0.000 0.452 302 L N 5.328 126.514 121.223 -0.062 0.000 2.262 302 L HA 0.894 5.232 4.340 -0.003 0.000 0.288 302 L C 0.378 177.231 176.870 -0.028 0.000 1.035 302 L CA 0.495 55.307 54.840 -0.047 0.000 0.820 302 L CB 0.572 42.591 42.059 -0.066 0.000 1.204 302 L HN 0.914 nan 8.230 nan 0.000 0.424 303 G N 5.100 113.887 108.800 -0.022 0.000 3.444 303 G HA2 -0.076 3.882 3.960 -0.003 0.000 0.685 303 G HA3 -0.076 3.882 3.960 -0.003 0.000 0.685 303 G C -0.728 174.150 174.900 -0.037 0.000 1.145 303 G CA -0.506 44.575 45.100 -0.032 0.000 0.973 303 G HN 0.619 nan 8.290 nan 0.000 0.525 304 L N 3.105 124.307 121.223 -0.035 0.000 3.100 304 L HA 0.405 4.743 4.340 -0.003 0.000 0.259 304 L C 1.673 178.509 176.870 -0.057 0.000 1.316 304 L CA -0.035 54.789 54.840 -0.026 0.000 0.992 304 L CB 0.136 42.209 42.059 0.023 0.000 1.390 304 L HN 0.792 nan 8.230 nan 0.000 0.550 305 G N 0.379 109.124 108.800 -0.092 0.000 2.441 305 G HA2 0.019 3.977 3.960 -0.003 0.000 0.258 305 G HA3 0.019 3.977 3.960 -0.003 0.000 0.258 305 G C 1.190 176.041 174.900 -0.081 0.000 1.487 305 G CA 0.710 45.741 45.100 -0.115 0.000 1.058 305 G HN 0.352 nan 8.290 nan 0.000 0.552 306 T N -1.675 112.832 114.554 -0.078 0.000 2.812 306 T HA -0.047 4.301 4.350 -0.003 0.000 0.264 306 T C 2.363 177.035 174.700 -0.046 0.000 1.042 306 T CA 1.310 63.380 62.100 -0.050 0.000 1.140 306 T CB -0.110 68.737 68.868 -0.035 0.000 0.870 306 T HN 0.152 nan 8.240 nan 0.000 0.445 307 M N 1.479 121.042 119.600 -0.061 0.000 2.081 307 M HA 0.158 4.636 4.480 -0.003 0.000 0.261 307 M C 2.922 179.153 176.300 -0.115 0.000 1.075 307 M CA 1.758 57.013 55.300 -0.076 0.000 1.133 307 M CB -1.813 30.747 32.600 -0.067 0.000 1.330 307 M HN 0.482 nan 8.290 nan 0.000 0.414 308 G N 0.235 108.975 108.800 -0.099 0.000 2.513 308 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.219 308 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.219 308 G C 1.807 176.662 174.900 -0.074 0.000 1.160 308 G CA 1.253 46.297 45.100 -0.093 0.000 0.767 308 G HN 0.397 nan 8.290 nan 0.000 0.571 309 R N -0.127 120.341 120.500 -0.054 0.000 2.113 309 R HA -0.117 4.221 4.340 -0.003 0.000 0.244 309 R C 2.904 179.176 176.300 -0.048 0.000 1.142 309 R CA 1.621 57.700 56.100 -0.034 0.000 0.953 309 R CB -0.649 29.627 30.300 -0.040 0.000 0.860 309 R HN 0.394 nan 8.270 nan 0.000 0.438 310 G N 0.406 109.171 108.800 -0.059 0.000 2.394 310 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.214 310 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.214 310 G C 1.422 176.264 174.900 -0.098 0.000 1.176 310 G CA 0.663 45.749 45.100 -0.024 0.000 0.786 310 G HN 0.204 nan 8.290 nan 0.000 0.533 311 I N 1.737 122.159 120.570 -0.247 0.000 2.145 311 I HA -0.276 3.893 4.170 -0.003 0.000 0.244 311 I C 3.311 179.409 176.117 -0.032 0.000 1.075 311 I CA 1.227 62.307 61.300 -0.366 0.000 1.332 311 I CB -0.298 37.381 38.000 -0.536 0.000 1.033 311 I HN 0.246 nan 8.210 nan 0.000 0.410 312 A N 1.131 123.953 122.820 0.003 0.000 1.859 312 A HA -0.243 4.076 4.320 -0.003 0.000 0.217 312 A C 2.303 179.929 177.584 0.070 0.000 1.198 312 A CA 2.066 54.139 52.037 0.060 0.000 0.629 312 A CB -1.098 17.917 19.000 0.024 0.000 0.830 312 A HN 0.386 nan 8.150 nan 0.000 0.446 313 I N 0.133 120.719 120.570 0.026 0.000 2.113 313 I HA -0.344 3.824 4.170 -0.003 0.000 0.242 313 I C 2.792 178.925 176.117 0.027 0.000 1.064 313 I CA 1.812 63.126 61.300 0.023 0.000 1.320 313 I CB -0.427 37.571 38.000 -0.004 0.000 1.028 313 I HN 0.293 nan 8.210 nan 0.000 0.406 314 S N 0.455 116.149 115.700 -0.010 0.000 2.359 314 S HA -0.210 4.258 4.470 -0.003 0.000 0.223 314 S C 1.853 176.385 174.600 -0.112 0.000 1.039 314 S CA 1.738 59.882 58.200 -0.093 0.000 1.042 314 S CB -0.580 62.496 63.200 -0.207 0.000 0.915 314 S HN 0.289 nan 8.310 nan 0.000 0.439 315 F N 1.600 121.545 119.950 -0.008 0.000 2.234 315 F HA 0.045 4.570 4.527 -0.003 0.000 0.299 315 F C 2.499 178.286 175.800 -0.022 0.000 1.087 315 F CA 0.623 58.617 58.000 -0.011 0.000 1.340 315 F CB -0.720 38.265 39.000 -0.025 0.000 1.031 315 F HN 0.187 nan 8.300 nan 0.000 0.500 316 A N 0.840 123.747 122.820 0.144 0.000 1.929 316 A HA -0.152 4.167 4.320 -0.003 0.000 0.216 316 A C 2.213 179.822 177.584 0.042 0.000 1.176 316 A CA 1.323 53.400 52.037 0.066 0.000 0.628 316 A CB -0.668 18.347 19.000 0.026 0.000 0.816 316 A HN 0.462 nan 8.150 nan 0.000 0.444 317 R N 0.230 120.749 120.500 0.032 0.000 2.189 317 R HA -0.016 4.322 4.340 -0.003 0.000 0.223 317 R C 0.889 177.198 176.300 0.015 0.000 1.092 317 R CA 1.370 57.479 56.100 0.015 0.000 0.989 317 R CB -0.896 29.408 30.300 0.007 0.000 0.876 317 R HN 0.499 nan 8.270 nan 0.000 0.457 318 V N -1.874 118.056 119.914 0.025 0.000 3.189 318 V HA 0.495 4.613 4.120 -0.003 0.000 0.366 318 V C 0.926 177.042 176.094 0.037 0.000 1.313 318 V CA -0.190 62.126 62.300 0.026 0.000 1.302 318 V CB -0.268 31.567 31.823 0.021 0.000 1.260 318 V HN 0.426 nan 8.190 nan 0.000 0.484 319 G N 1.093 109.912 108.800 0.031 0.000 2.233 319 G HA2 -0.302 3.657 3.960 -0.003 0.000 0.270 319 G HA3 -0.302 3.657 3.960 -0.003 0.000 0.270 319 G C 0.127 175.044 174.900 0.028 0.000 1.011 319 G CA 0.893 46.007 45.100 0.023 0.000 0.762 319 G HN 0.669 nan 8.290 nan 0.000 0.511 320 I N 0.928 121.529 120.570 0.052 0.000 2.638 320 I HA 0.199 4.367 4.170 -0.003 0.000 0.286 320 I C 0.902 177.022 176.117 0.005 0.000 1.088 320 I CA -0.166 61.163 61.300 0.048 0.000 1.397 320 I CB 1.116 39.187 38.000 0.117 0.000 1.414 320 I HN 0.085 nan 8.210 nan 0.000 0.566 321 S N 4.790 120.475 115.700 -0.026 0.000 2.430 321 S HA 0.251 4.719 4.470 -0.003 0.000 0.282 321 S C -0.273 174.266 174.600 -0.102 0.000 1.186 321 S CA -0.624 57.541 58.200 -0.059 0.000 1.060 321 S CB 0.411 63.579 63.200 -0.054 0.000 0.966 321 S HN 0.284 nan 8.310 nan 0.000 0.501 322 V N 4.672 124.512 119.914 -0.122 0.000 2.435 322 V HA 0.395 4.513 4.120 -0.003 0.000 0.290 322 V C -0.137 175.830 176.094 -0.212 0.000 1.030 322 V CA -0.704 61.493 62.300 -0.173 0.000 0.881 322 V CB 1.653 33.378 31.823 -0.163 0.000 0.983 322 V HN 0.630 nan 8.190 nan 0.000 0.445 323 V N 4.069 123.862 119.914 -0.202 0.000 2.350 323 V HA 0.712 4.831 4.120 -0.003 0.000 0.285 323 V C 0.357 176.334 176.094 -0.195 0.000 1.014 323 V CA -0.566 61.615 62.300 -0.198 0.000 0.831 323 V CB 1.371 33.112 31.823 -0.137 0.000 1.000 323 V HN 0.955 nan 8.190 nan 0.000 0.433 324 A N 5.100 127.766 122.820 -0.257 0.000 2.249 324 A HA 0.820 5.138 4.320 -0.003 0.000 0.314 324 A C -0.621 176.972 177.584 0.016 0.000 1.290 324 A CA -0.462 51.489 52.037 -0.143 0.000 0.893 324 A CB 1.061 19.935 19.000 -0.210 0.000 1.165 324 A HN 0.676 nan 8.150 nan 0.000 0.530 325 V N 2.725 122.649 119.914 0.017 0.000 2.483 325 V HA 0.546 4.664 4.120 -0.003 0.000 0.297 325 V C -0.642 175.471 176.094 0.031 0.000 1.027 325 V CA -0.407 61.912 62.300 0.031 0.000 0.855 325 V CB 1.500 33.319 31.823 -0.008 0.000 0.995 325 V HN 0.965 nan 8.190 nan 0.000 0.424 326 E N 2.945 123.171 120.200 0.043 0.000 2.283 326 E HA 0.409 4.758 4.350 -0.003 0.000 0.258 326 E C 0.793 177.403 176.600 0.017 0.000 0.893 326 E CA 0.013 56.426 56.400 0.021 0.000 0.798 326 E CB 1.856 31.566 29.700 0.018 0.000 1.242 326 E HN 0.587 nan 8.360 nan 0.000 0.414 327 S N 2.806 118.515 115.700 0.015 0.000 2.351 327 S HA -0.200 4.269 4.470 -0.003 0.000 0.220 327 S C 0.812 175.420 174.600 0.013 0.000 1.035 327 S CA 1.093 59.303 58.200 0.017 0.000 1.031 327 S CB -0.652 62.562 63.200 0.023 0.000 0.928 327 S HN 0.639 nan 8.310 nan 0.000 0.433 328 D N 4.190 124.599 120.400 0.015 0.000 2.536 328 D HA 0.108 4.746 4.640 -0.003 0.000 0.260 328 D C -1.643 174.654 176.300 -0.005 0.000 1.270 328 D CA -1.050 52.956 54.000 0.009 0.000 0.934 328 D CB 0.810 41.617 40.800 0.012 0.000 1.129 328 D HN 0.120 nan 8.370 nan 0.000 0.533 329 P HA -0.187 nan 4.420 nan 0.000 0.218 329 P C 0.911 178.192 177.300 -0.031 0.000 1.149 329 P CA 1.368 64.458 63.100 -0.018 0.000 0.817 329 P CB 0.030 31.721 31.700 -0.014 0.000 0.785 330 K N -0.273 120.110 120.400 -0.028 0.000 2.137 330 K HA -0.102 4.216 4.320 -0.003 0.000 0.202 330 K C 2.224 178.797 176.600 -0.046 0.000 1.052 330 K CA 0.849 57.114 56.287 -0.037 0.000 0.961 330 K CB -0.762 31.721 32.500 -0.028 0.000 0.741 330 K HN -0.059 nan 8.250 nan 0.000 0.452 331 Q N 1.656 121.433 119.800 -0.039 0.000 2.096 331 Q HA -0.150 4.188 4.340 -0.003 0.000 0.204 331 Q C 2.096 178.061 176.000 -0.059 0.000 0.982 331 Q CA 1.354 57.129 55.803 -0.046 0.000 0.850 331 Q CB -0.327 28.387 28.738 -0.040 0.000 0.901 331 Q HN 0.377 nan 8.270 nan 0.000 0.422 332 L N 0.468 121.658 121.223 -0.056 0.000 2.042 332 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 332 L C 1.534 178.315 176.870 -0.149 0.000 1.076 332 L CA 2.248 57.041 54.840 -0.078 0.000 0.749 332 L CB -0.744 41.286 42.059 -0.048 0.000 0.893 332 L HN 0.227 nan 8.230 nan 0.000 0.432 333 D N -0.603 119.724 120.400 -0.123 0.000 2.144 333 D HA -0.075 4.564 4.640 -0.003 0.000 0.200 333 D C 2.174 178.389 176.300 -0.142 0.000 0.978 333 D CA 1.302 55.217 54.000 -0.142 0.000 0.833 333 D CB -0.002 40.739 40.800 -0.099 0.000 0.961 333 D HN 0.498 nan 8.370 nan 0.000 0.470 334 A N 0.673 123.427 122.820 -0.109 0.000 1.898 334 A HA 0.025 4.343 4.320 -0.003 0.000 0.216 334 A C 2.283 179.805 177.584 -0.104 0.000 1.181 334 A CA 1.938 53.918 52.037 -0.096 0.000 0.620 334 A CB -0.705 18.251 19.000 -0.073 0.000 0.819 334 A HN 0.219 nan 8.150 nan 0.000 0.442 335 A N 0.025 122.779 122.820 -0.111 0.000 1.865 335 A HA -0.199 4.119 4.320 -0.003 0.000 0.217 335 A C 2.127 179.614 177.584 -0.161 0.000 1.191 335 A CA 1.883 53.863 52.037 -0.095 0.000 0.623 335 A CB -0.531 18.436 19.000 -0.055 0.000 0.826 335 A HN 0.498 nan 8.150 nan 0.000 0.444 336 K N -0.653 119.531 120.400 -0.361 0.000 2.034 336 K HA -0.253 4.065 4.320 -0.003 0.000 0.214 336 K C 2.243 178.712 176.600 -0.219 0.000 1.051 336 K CA 2.009 57.968 56.287 -0.546 0.000 0.931 336 K CB -0.197 31.931 32.500 -0.619 0.000 0.715 336 K HN 0.360 nan 8.250 nan 0.000 0.446 337 K N 1.387 121.698 120.400 -0.147 0.000 2.097 337 K HA -0.044 4.275 4.320 -0.003 0.000 0.205 337 K C 1.823 178.429 176.600 0.010 0.000 1.050 337 K CA 1.094 57.343 56.287 -0.064 0.000 0.938 337 K CB -0.174 32.274 32.500 -0.086 0.000 0.718 337 K HN 0.109 nan 8.250 nan 0.000 0.442 338 I N 0.059 120.621 120.570 -0.012 0.000 2.353 338 I HA -0.189 3.979 4.170 -0.003 0.000 0.248 338 I C 2.019 178.169 176.117 0.056 0.000 1.119 338 I CA 0.928 62.247 61.300 0.032 0.000 1.417 338 I CB -0.080 37.909 38.000 -0.017 0.000 1.078 338 I HN 0.113 nan 8.210 nan 0.000 0.421 339 I N 0.162 120.759 120.570 0.044 0.000 2.286 339 I HA -0.235 3.933 4.170 -0.003 0.000 0.245 339 I C 2.443 178.614 176.117 0.090 0.000 1.104 339 I CA 1.516 62.861 61.300 0.075 0.000 1.397 339 I CB -0.532 37.574 38.000 0.176 0.000 1.072 339 I HN 0.247 nan 8.210 nan 0.000 0.417 340 T N 0.743 115.362 114.554 0.108 0.000 2.821 340 T HA -0.187 4.161 4.350 -0.003 0.000 0.267 340 T C 1.708 176.467 174.700 0.098 0.000 1.046 340 T CA 1.118 63.278 62.100 0.100 0.000 1.139 340 T CB -0.537 68.386 68.868 0.092 0.000 0.871 340 T HN 0.225 nan 8.240 nan 0.000 0.454 341 F N 2.431 122.368 119.950 -0.020 0.000 2.216 341 F HA -0.106 4.420 4.527 -0.003 0.000 0.300 341 F C 2.287 178.073 175.800 -0.024 0.000 1.085 341 F CA 1.078 59.064 58.000 -0.024 0.000 1.326 341 F CB -0.761 38.219 39.000 -0.032 0.000 1.027 341 F HN 0.063 nan 8.300 nan 0.000 0.497 342 T N 0.837 115.351 114.554 -0.066 0.000 2.904 342 T HA -0.074 4.274 4.350 -0.003 0.000 0.267 342 T C 2.090 176.708 174.700 -0.138 0.000 1.059 342 T CA 1.400 63.408 62.100 -0.153 0.000 1.137 342 T CB -0.291 68.500 68.868 -0.128 0.000 0.879 342 T HN 0.239 nan 8.240 nan 0.000 0.467 343 L N 0.293 121.469 121.223 -0.079 0.000 2.341 343 L HA 0.138 4.477 4.340 -0.003 0.000 0.214 343 L C 2.513 179.340 176.870 -0.072 0.000 1.115 343 L CA 0.888 55.697 54.840 -0.052 0.000 0.820 343 L CB -0.287 41.767 42.059 -0.007 0.000 0.944 343 L HN 0.253 nan 8.230 nan 0.000 0.452 344 E N 0.156 120.294 120.200 -0.104 0.000 2.216 344 E HA -0.204 4.144 4.350 -0.003 0.000 0.192 344 E C 1.935 178.435 176.600 -0.166 0.000 0.988 344 E CA 0.561 56.895 56.400 -0.110 0.000 0.834 344 E CB 0.292 29.942 29.700 -0.083 0.000 0.772 344 E HN 0.209 nan 8.360 nan 0.000 0.479 345 K N 1.446 121.681 120.400 -0.274 0.000 2.001 345 K HA -0.145 4.174 4.320 -0.003 0.000 0.208 345 K C 1.717 178.235 176.600 -0.138 0.000 1.048 345 K CA 1.479 57.600 56.287 -0.275 0.000 0.932 345 K CB 0.119 32.373 32.500 -0.409 0.000 0.715 345 K HN -0.009 nan 8.250 nan 0.000 0.437 346 E N -0.292 119.845 120.200 -0.105 0.000 2.107 346 E HA -0.107 4.242 4.350 -0.003 0.000 0.191 346 E C 1.959 178.538 176.600 -0.035 0.000 0.982 346 E CA 0.860 57.229 56.400 -0.051 0.000 0.809 346 E CB -0.110 29.571 29.700 -0.031 0.000 0.756 346 E HN 0.449 nan 8.360 nan 0.000 0.459 347 A N 1.472 124.266 122.820 -0.045 0.000 1.902 347 A HA -0.124 4.194 4.320 -0.003 0.000 0.217 347 A C 1.938 179.509 177.584 -0.022 0.000 1.181 347 A CA 1.528 53.545 52.037 -0.033 0.000 0.623 347 A CB -0.247 18.726 19.000 -0.046 0.000 0.818 347 A HN 0.250 nan 8.150 nan 0.000 0.443 348 S N -1.542 114.141 115.700 -0.028 0.000 2.979 348 S HA 0.581 5.050 4.470 -0.003 0.000 0.210 348 S C 0.386 174.998 174.600 0.020 0.000 1.364 348 S CA -0.546 57.663 58.200 0.015 0.000 1.208 348 S CB 0.157 63.357 63.200 -0.000 0.000 1.167 348 S HN 0.481 nan 8.310 nan 0.000 0.519 349 R N -0.577 119.935 120.500 0.020 0.000 2.526 349 R HA 0.368 4.706 4.340 -0.003 0.000 0.346 349 R C 1.413 177.730 176.300 0.028 0.000 0.926 349 R CA 0.589 56.699 56.100 0.017 0.000 1.147 349 R CB 0.357 30.653 30.300 -0.007 0.000 1.629 349 R HN 0.504 nan 8.270 nan 0.000 0.516 350 A N -0.594 122.253 122.820 0.045 0.000 2.140 350 A HA 0.007 4.326 4.320 -0.003 0.000 0.209 350 A C 1.404 179.048 177.584 0.101 0.000 1.181 350 A CA 0.556 52.625 52.037 0.054 0.000 0.824 350 A CB -0.167 18.858 19.000 0.043 0.000 0.879 350 A HN 0.184 nan 8.150 nan 0.000 0.480 351 H N 0.037 119.103 119.070 -0.007 0.000 2.462 351 H HA 0.024 4.578 4.556 -0.003 0.000 0.292 351 H C 1.791 177.118 175.328 -0.002 0.000 1.049 351 H CA 1.456 57.502 56.048 -0.004 0.000 1.334 351 H CB 0.208 29.967 29.762 -0.005 0.000 1.404 351 H HN 0.287 nan 8.280 nan 0.000 0.544 352 Q N 0.211 120.037 119.800 0.043 0.000 2.369 352 Q HA -0.003 4.335 4.340 -0.003 0.000 0.206 352 Q C 0.250 176.234 176.000 -0.026 0.000 0.963 352 Q CA 0.460 56.255 55.803 -0.012 0.000 0.894 352 Q CB 0.041 28.785 28.738 0.010 0.000 0.965 352 Q HN 0.523 nan 8.270 nan 0.000 0.475 353 N N -0.528 118.165 118.700 -0.011 0.000 2.867 353 N HA 0.374 5.112 4.740 -0.003 0.000 0.326 353 N C 0.100 175.597 175.510 -0.022 0.000 1.355 353 N CA -0.204 52.840 53.050 -0.011 0.000 0.830 353 N CB -0.237 38.255 38.487 0.008 0.000 1.152 353 N HN -0.012 nan 8.380 nan 0.000 0.569 354 G N -0.192 108.604 108.800 -0.007 0.000 3.288 354 G HA2 0.390 4.348 3.960 -0.003 0.000 0.337 354 G HA3 0.390 4.348 3.960 -0.003 0.000 0.337 354 G C -0.795 174.115 174.900 0.016 0.000 1.142 354 G CA 0.001 45.100 45.100 -0.003 0.000 1.304 354 G HN 0.298 nan 8.290 nan 0.000 0.475 355 Q N 1.145 120.963 119.800 0.031 0.000 2.337 355 Q HA 0.615 4.954 4.340 -0.003 0.000 0.270 355 Q C -0.004 176.026 176.000 0.050 0.000 1.043 355 Q CA -0.735 55.092 55.803 0.039 0.000 0.794 355 Q CB 1.952 30.714 28.738 0.041 0.000 1.281 355 Q HN 0.498 nan 8.270 nan 0.000 0.446 356 A N 3.156 126.000 122.820 0.039 0.000 2.618 356 A HA 0.112 4.431 4.320 -0.003 0.000 0.293 356 A C 0.154 177.759 177.584 0.034 0.000 1.413 356 A CA 0.329 52.388 52.037 0.037 0.000 1.074 356 A CB -0.464 18.553 19.000 0.029 0.000 1.087 356 A HN 0.543 nan 8.150 nan 0.000 0.553 357 S N 2.942 118.667 115.700 0.041 0.000 3.517 357 S HA 0.387 4.856 4.470 -0.003 0.000 0.284 357 S C 0.854 175.458 174.600 0.007 0.000 1.260 357 S CA -0.027 58.189 58.200 0.027 0.000 0.975 357 S CB -1.008 62.210 63.200 0.031 0.000 1.540 357 S HN 1.189 nan 8.310 nan 0.000 0.506 358 A N 4.572 127.397 122.820 0.008 0.000 2.566 358 A HA 0.167 4.485 4.320 -0.003 0.000 0.245 358 A C 0.456 178.038 177.584 -0.002 0.000 1.056 358 A CA 0.170 52.210 52.037 0.005 0.000 0.757 358 A CB 0.015 19.020 19.000 0.008 0.000 0.979 358 A HN 0.708 nan 8.150 nan 0.000 0.508 359 K N 2.904 123.302 120.400 -0.003 0.000 2.298 359 K HA 0.443 4.762 4.320 -0.003 0.000 0.280 359 K C -2.294 174.303 176.600 -0.004 0.000 1.032 359 K CA -1.134 55.148 56.287 -0.008 0.000 0.958 359 K CB 0.603 33.099 32.500 -0.008 0.000 0.978 359 K HN 0.563 nan 8.250 nan 0.000 0.472 360 P HA 0.320 nan 4.420 nan 0.000 0.292 360 P C -1.473 175.818 177.300 -0.016 0.000 1.283 360 P CA -0.715 62.381 63.100 -0.006 0.000 0.835 360 P CB 1.138 32.837 31.700 -0.002 0.000 1.017 361 K N 3.355 123.740 120.400 -0.025 0.000 2.414 361 K HA 0.456 4.774 4.320 -0.003 0.000 0.251 361 K C -0.643 175.906 176.600 -0.084 0.000 1.037 361 K CA -0.647 55.614 56.287 -0.043 0.000 0.980 361 K CB 0.505 32.984 32.500 -0.034 0.000 1.280 361 K HN 0.332 nan 8.250 nan 0.000 0.451 362 L N -0.168 120.983 121.223 -0.120 0.000 2.434 362 L HA 0.652 4.991 4.340 -0.003 0.000 0.260 362 L C -0.901 175.797 176.870 -0.288 0.000 0.983 362 L CA -1.319 53.374 54.840 -0.244 0.000 0.820 362 L CB 1.357 43.216 42.059 -0.333 0.000 1.361 362 L HN 0.508 nan 8.230 nan 0.000 0.410 363 R N 0.620 120.894 120.500 -0.377 0.000 2.725 363 R HA 0.851 5.189 4.340 -0.003 0.000 0.277 363 R C -1.654 174.391 176.300 -0.424 0.000 0.987 363 R CA -0.634 55.289 56.100 -0.296 0.000 0.901 363 R CB 1.671 31.908 30.300 -0.104 0.000 1.207 363 R HN 0.448 nan 8.270 nan 0.000 0.463 364 F N 0.247 120.184 119.950 -0.022 0.000 2.470 364 F HA 0.726 5.251 4.527 -0.003 0.000 0.329 364 F C 0.685 176.471 175.800 -0.024 0.000 1.072 364 F CA -0.552 57.433 58.000 -0.025 0.000 0.989 364 F CB 2.315 41.302 39.000 -0.022 0.000 1.193 364 F HN 0.722 nan 8.300 nan 0.000 0.481 365 S N -0.451 115.348 115.700 0.166 0.000 2.656 365 S HA 0.513 4.981 4.470 -0.003 0.000 0.273 365 S C -0.289 174.350 174.600 0.066 0.000 1.168 365 S CA -0.076 58.174 58.200 0.083 0.000 0.817 365 S CB 1.228 64.449 63.200 0.034 0.000 1.146 365 S HN 0.692 nan 8.310 nan 0.000 0.475 366 S N 0.407 116.129 115.700 0.036 0.000 2.629 366 S HA 0.377 4.845 4.470 -0.003 0.000 0.236 366 S C 0.167 174.775 174.600 0.014 0.000 1.010 366 S CA -0.226 57.989 58.200 0.024 0.000 0.981 366 S CB 0.246 63.456 63.200 0.017 0.000 0.919 366 S HN 0.593 nan 8.310 nan 0.000 0.514 367 S N 2.127 117.833 115.700 0.010 0.000 2.454 367 S HA 0.455 4.923 4.470 -0.003 0.000 0.306 367 S C 1.045 175.640 174.600 -0.009 0.000 1.100 367 S CA -0.100 58.100 58.200 0.001 0.000 1.087 367 S CB 1.402 64.602 63.200 -0.001 0.000 1.019 367 S HN 0.471 nan 8.310 nan 0.000 0.480 368 T N 2.212 116.758 114.554 -0.015 0.000 3.160 368 T HA 0.126 4.475 4.350 -0.003 0.000 0.257 368 T C 1.275 175.955 174.700 -0.033 0.000 1.147 368 T CA 0.567 62.650 62.100 -0.029 0.000 1.064 368 T CB -0.227 68.621 68.868 -0.034 0.000 0.949 368 T HN 0.601 nan 8.240 nan 0.000 0.526 369 K N 1.008 121.394 120.400 -0.024 0.000 2.147 369 K HA -0.024 4.294 4.320 -0.003 0.000 0.205 369 K C 2.288 178.870 176.600 -0.030 0.000 1.049 369 K CA 1.205 57.478 56.287 -0.025 0.000 0.936 369 K CB -0.003 32.487 32.500 -0.017 0.000 0.722 369 K HN 0.402 nan 8.250 nan 0.000 0.446 370 E N 0.200 120.382 120.200 -0.030 0.000 2.463 370 E HA -0.154 4.195 4.350 -0.003 0.000 0.201 370 E C 0.662 177.232 176.600 -0.050 0.000 1.045 370 E CA 0.717 57.096 56.400 -0.036 0.000 0.872 370 E CB 0.154 29.834 29.700 -0.034 0.000 0.797 370 E HN 0.156 nan 8.360 nan 0.000 0.538 371 L N 0.374 121.563 121.223 -0.055 0.000 2.700 371 L HA 0.041 4.379 4.340 -0.003 0.000 0.234 371 L C 1.893 178.722 176.870 -0.067 0.000 1.156 371 L CA 0.458 55.256 54.840 -0.069 0.000 0.946 371 L CB -0.037 41.974 42.059 -0.080 0.000 1.216 371 L HN -0.035 nan 8.230 nan 0.000 0.493 372 S N -3.411 112.256 115.700 -0.056 0.000 2.461 372 S HA -0.084 4.385 4.470 -0.003 0.000 0.228 372 S C 1.685 176.253 174.600 -0.053 0.000 1.005 372 S CA 1.014 59.182 58.200 -0.053 0.000 0.942 372 S CB -0.339 62.835 63.200 -0.043 0.000 0.776 372 S HN 0.321 nan 8.310 nan 0.000 0.514 373 T N 2.332 116.855 114.554 -0.052 0.000 3.235 373 T HA 0.358 4.707 4.350 -0.003 0.000 0.251 373 T C 0.220 174.888 174.700 -0.054 0.000 1.060 373 T CA 0.058 62.129 62.100 -0.049 0.000 0.949 373 T CB -0.933 67.909 68.868 -0.043 0.000 1.020 373 T HN 0.427 nan 8.240 nan 0.000 0.564 374 V N -1.589 118.287 119.914 -0.063 0.000 2.769 374 V HA 0.579 4.697 4.120 -0.003 0.000 0.312 374 V C 0.624 176.686 176.094 -0.054 0.000 1.058 374 V CA -0.875 61.385 62.300 -0.066 0.000 0.952 374 V CB 1.914 33.683 31.823 -0.090 0.000 1.019 374 V HN -0.039 nan 8.190 nan 0.000 0.445 375 D N 1.505 121.887 120.400 -0.030 0.000 2.149 375 D HA 0.117 4.755 4.640 -0.003 0.000 0.201 375 D C 0.268 176.619 176.300 0.085 0.000 0.972 375 D CA 1.616 55.628 54.000 0.020 0.000 0.835 375 D CB 0.515 41.355 40.800 0.067 0.000 0.966 375 D HN 0.550 nan 8.370 nan 0.000 0.476 376 L N -0.034 121.213 121.223 0.041 0.000 2.472 376 L HA 0.386 4.724 4.340 -0.003 0.000 0.260 376 L C -1.791 175.045 176.870 -0.057 0.000 0.963 376 L CA -0.610 54.273 54.840 0.073 0.000 0.829 376 L CB 2.655 44.786 42.059 0.119 0.000 1.348 376 L HN -0.368 nan 8.230 nan 0.000 0.408 377 V N 4.312 124.207 119.914 -0.031 0.000 2.588 377 V HA 0.505 4.623 4.120 -0.003 0.000 0.304 377 V C -0.676 175.395 176.094 -0.038 0.000 1.042 377 V CA -0.606 61.642 62.300 -0.087 0.000 0.877 377 V CB 2.144 33.893 31.823 -0.124 0.000 0.996 377 V HN 0.463 nan 8.190 nan 0.000 0.425 378 V N 4.158 124.047 119.914 -0.041 0.000 2.347 378 V HA 0.408 4.526 4.120 -0.003 0.000 0.280 378 V C 0.167 176.271 176.094 0.017 0.000 1.021 378 V CA -0.601 61.730 62.300 0.052 0.000 0.847 378 V CB 1.551 33.452 31.823 0.130 0.000 0.990 378 V HN 0.868 nan 8.190 nan 0.000 0.444 379 E N 4.429 124.665 120.200 0.060 0.000 2.194 379 E HA 0.548 4.896 4.350 -0.003 0.000 0.284 379 E C -0.348 176.313 176.600 0.102 0.000 1.035 379 E CA -0.383 56.054 56.400 0.061 0.000 0.836 379 E CB 1.727 31.504 29.700 0.127 0.000 1.070 379 E HN 0.764 nan 8.360 nan 0.000 0.401 380 A N 5.230 128.079 122.820 0.047 0.000 3.355 380 A HA 0.377 4.696 4.320 -0.003 0.000 0.290 380 A C -0.519 177.061 177.584 -0.007 0.000 0.973 380 A CA -0.387 51.665 52.037 0.026 0.000 0.933 380 A CB -0.150 18.835 19.000 -0.025 0.000 1.138 380 A HN 0.392 nan 8.150 nan 0.000 0.490 381 V N -3.476 116.457 119.914 0.032 0.000 3.158 381 V HA 0.844 4.962 4.120 -0.003 0.000 0.315 381 V C 0.141 176.268 176.094 0.055 0.000 1.148 381 V CA -1.534 60.768 62.300 0.002 0.000 1.042 381 V CB 0.470 32.334 31.823 0.069 0.000 1.101 381 V HN 0.340 nan 8.190 nan 0.000 0.448 382 F N 0.974 120.949 119.950 0.042 0.000 2.452 382 F HA 0.025 4.551 4.527 -0.003 0.000 0.403 382 F C 1.218 177.046 175.800 0.047 0.000 0.972 382 F CA 1.051 59.073 58.000 0.036 0.000 1.194 382 F CB -0.129 38.886 39.000 0.025 0.000 0.908 382 F HN 0.865 nan 8.300 nan 0.000 0.555 383 E N 2.740 123.119 120.200 0.298 0.000 2.053 383 E HA 0.039 4.387 4.350 -0.003 0.000 0.297 383 E C -1.209 175.477 176.600 0.143 0.000 1.173 383 E CA 0.147 56.656 56.400 0.182 0.000 1.219 383 E CB -0.458 29.328 29.700 0.144 0.000 1.103 383 E HN 0.469 nan 8.360 nan 0.000 0.476 384 D N 2.219 122.698 120.400 0.132 0.000 2.757 384 D HA 0.124 4.762 4.640 -0.003 0.000 0.249 384 D C 0.504 176.842 176.300 0.062 0.000 1.168 384 D CA -0.603 53.437 54.000 0.066 0.000 0.870 384 D CB 1.107 41.923 40.800 0.026 0.000 1.411 384 D HN 0.195 nan 8.370 nan 0.000 0.525 385 M N 3.375 122.998 119.600 0.038 0.000 2.159 385 M HA -0.075 4.403 4.480 -0.003 0.000 0.263 385 M C 0.982 177.301 176.300 0.031 0.000 1.063 385 M CA 1.778 57.096 55.300 0.029 0.000 1.110 385 M CB -0.426 32.183 32.600 0.016 0.000 1.374 385 M HN 0.391 nan 8.290 nan 0.000 0.411 386 N N 0.127 118.842 118.700 0.026 0.000 2.084 386 N HA -0.135 4.603 4.740 -0.003 0.000 0.190 386 N C 1.631 177.171 175.510 0.050 0.000 1.030 386 N CA 1.513 54.580 53.050 0.028 0.000 0.849 386 N CB -0.738 37.756 38.487 0.012 0.000 1.012 386 N HN 0.380 nan 8.380 nan 0.000 0.423 387 L N 1.704 122.964 121.223 0.061 0.000 2.042 387 L HA -0.145 4.193 4.340 -0.003 0.000 0.210 387 L C 1.852 178.802 176.870 0.134 0.000 1.076 387 L CA 1.710 56.606 54.840 0.093 0.000 0.749 387 L CB -0.381 41.747 42.059 0.115 0.000 0.893 387 L HN -0.003 nan 8.230 nan 0.000 0.432 388 K N 0.214 120.698 120.400 0.141 0.000 1.977 388 K HA -0.245 4.073 4.320 -0.003 0.000 0.218 388 K C 2.064 178.796 176.600 0.220 0.000 1.051 388 K CA 2.061 58.465 56.287 0.196 0.000 0.953 388 K CB -0.685 31.867 32.500 0.088 0.000 0.727 388 K HN 0.361 nan 8.250 nan 0.000 0.445 389 K N 1.084 121.543 120.400 0.099 0.000 2.097 389 K HA -0.262 4.057 4.320 -0.003 0.000 0.214 389 K C 2.293 178.979 176.600 0.143 0.000 1.052 389 K CA 2.159 58.503 56.287 0.094 0.000 0.932 389 K CB -0.213 32.316 32.500 0.048 0.000 0.716 389 K HN 0.192 nan 8.250 nan 0.000 0.455 390 K N 0.918 121.390 120.400 0.120 0.000 2.002 390 K HA -0.133 4.185 4.320 -0.003 0.000 0.209 390 K C 1.925 178.600 176.600 0.124 0.000 1.048 390 K CA 1.452 57.800 56.287 0.101 0.000 0.930 390 K CB -0.007 32.537 32.500 0.072 0.000 0.714 390 K HN -0.054 nan 8.250 nan 0.000 0.438 391 V N 0.955 120.965 119.914 0.159 0.000 2.469 391 V HA -0.214 3.904 4.120 -0.003 0.000 0.251 391 V C 2.071 178.218 176.094 0.088 0.000 1.064 391 V CA 1.662 64.034 62.300 0.120 0.000 1.066 391 V CB -0.606 31.298 31.823 0.135 0.000 0.667 391 V HN 0.245 nan 8.190 nan 0.000 0.461 392 F N 0.648 120.620 119.950 0.036 0.000 2.118 392 F HA 0.039 4.564 4.527 -0.003 0.000 0.293 392 F C 2.475 178.290 175.800 0.025 0.000 1.102 392 F CA 1.242 59.263 58.000 0.035 0.000 1.247 392 F CB -1.003 38.024 39.000 0.045 0.000 1.017 392 F HN 0.059 nan 8.300 nan 0.000 0.475 393 A N -0.322 122.621 122.820 0.205 0.000 1.948 393 A HA -0.295 4.023 4.320 -0.003 0.000 0.220 393 A C 2.153 179.771 177.584 0.057 0.000 1.177 393 A CA 2.106 54.209 52.037 0.109 0.000 0.636 393 A CB -0.982 18.070 19.000 0.088 0.000 0.815 393 A HN 0.505 nan 8.150 nan 0.000 0.449 394 E N -0.472 119.755 120.200 0.045 0.000 2.204 394 E HA -0.107 4.241 4.350 -0.003 0.000 0.194 394 E C 1.787 178.376 176.600 -0.019 0.000 0.989 394 E CA 0.840 57.246 56.400 0.011 0.000 0.824 394 E CB -0.136 29.571 29.700 0.011 0.000 0.756 394 E HN 0.659 nan 8.360 nan 0.000 0.477 395 L N 0.007 121.203 121.223 -0.045 0.000 2.162 395 L HA -0.025 4.314 4.340 -0.003 0.000 0.205 395 L C 2.628 179.465 176.870 -0.054 0.000 1.086 395 L CA 0.774 55.560 54.840 -0.090 0.000 0.778 395 L CB -0.151 41.784 42.059 -0.206 0.000 0.928 395 L HN 0.101 nan 8.230 nan 0.000 0.446 396 S N -0.113 115.580 115.700 -0.011 0.000 2.447 396 S HA -0.098 4.370 4.470 -0.003 0.000 0.233 396 S C 1.996 176.594 174.600 -0.003 0.000 1.006 396 S CA 1.112 59.318 58.200 0.009 0.000 0.957 396 S CB 0.058 63.289 63.200 0.053 0.000 0.773 396 S HN 0.408 nan 8.310 nan 0.000 0.507 397 A N 0.499 123.316 122.820 -0.004 0.000 1.935 397 A HA 0.265 4.583 4.320 -0.003 0.000 0.214 397 A C 2.017 179.589 177.584 -0.020 0.000 1.178 397 A CA 1.069 53.100 52.037 -0.009 0.000 0.640 397 A CB -0.490 18.509 19.000 -0.003 0.000 0.825 397 A HN 0.548 nan 8.150 nan 0.000 0.447 398 L N -0.910 120.296 121.223 -0.028 0.000 2.316 398 L HA 0.246 4.584 4.340 -0.003 0.000 0.207 398 L C 0.773 177.616 176.870 -0.045 0.000 1.070 398 L CA 0.563 55.383 54.840 -0.035 0.000 0.820 398 L CB -0.030 42.007 42.059 -0.037 0.000 0.992 398 L HN 0.327 nan 8.230 nan 0.000 0.466 399 C N 1.910 121.176 119.300 -0.056 0.000 2.604 399 C HA 0.248 4.706 4.460 -0.003 0.000 0.396 399 C C 0.512 175.463 174.990 -0.064 0.000 1.282 399 C CA -1.164 57.814 59.018 -0.066 0.000 2.292 399 C CB 0.159 27.850 27.740 -0.082 0.000 2.633 399 C HN 0.432 nan 8.230 nan 0.000 0.620 400 K N 2.380 122.740 120.400 -0.067 0.000 2.440 400 K HA 0.156 4.474 4.320 -0.003 0.000 0.270 400 K C -2.642 173.907 176.600 -0.085 0.000 0.980 400 K CA -0.420 55.827 56.287 -0.067 0.000 0.953 400 K CB -0.307 32.154 32.500 -0.064 0.000 0.925 400 K HN 0.307 nan 8.250 nan 0.000 0.497 401 P HA 0.055 nan 4.420 nan 0.000 0.271 401 P C 0.396 177.615 177.300 -0.134 0.000 1.218 401 P CA 0.601 63.647 63.100 -0.090 0.000 0.780 401 P CB 0.655 32.316 31.700 -0.065 0.000 0.901 402 G N 0.616 109.308 108.800 -0.179 0.000 2.168 402 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.263 402 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.263 402 G C 0.407 175.005 174.900 -0.503 0.000 0.977 402 G CA 0.107 45.027 45.100 -0.299 0.000 0.659 402 G HN 0.864 nan 8.290 nan 0.000 0.533 403 A N -0.311 122.292 122.820 -0.361 0.000 2.354 403 A HA 0.736 5.054 4.320 -0.003 0.000 0.269 403 A C -0.028 177.342 177.584 -0.358 0.000 1.109 403 A CA -0.325 51.502 52.037 -0.350 0.000 0.800 403 A CB 0.325 19.229 19.000 -0.160 0.000 1.045 403 A HN 0.565 nan 8.150 nan 0.000 0.489 404 F N 1.175 121.120 119.950 -0.009 0.000 2.394 404 F HA 0.471 4.997 4.527 -0.003 0.000 0.340 404 F C 0.225 176.028 175.800 0.004 0.000 1.105 404 F CA -0.233 57.774 58.000 0.011 0.000 1.124 404 F CB 1.163 40.172 39.000 0.016 0.000 1.145 404 F HN 0.281 nan 8.300 nan 0.000 0.505 405 L N 4.160 125.525 121.223 0.237 0.000 2.318 405 L HA 0.459 4.797 4.340 -0.003 0.000 0.277 405 L C -1.216 175.825 176.870 0.286 0.000 1.008 405 L CA -0.459 54.478 54.840 0.161 0.000 0.846 405 L CB 0.961 43.079 42.059 0.099 0.000 1.220 405 L HN 0.649 nan 8.230 nan 0.000 0.423 406 C N 0.775 120.212 119.300 0.227 0.000 2.351 406 C HA 0.582 5.040 4.460 -0.003 0.000 0.326 406 C C 0.825 176.025 174.990 0.351 0.000 1.272 406 C CA -0.772 58.404 59.018 0.263 0.000 1.650 406 C CB 1.244 29.099 27.740 0.193 0.000 2.257 406 C HN 0.734 nan 8.230 nan 0.000 0.505 407 T N 1.051 115.841 114.554 0.393 0.000 2.799 407 T HA 0.223 4.571 4.350 -0.003 0.000 0.286 407 T C 0.461 175.312 174.700 0.253 0.000 0.973 407 T CA -0.095 62.226 62.100 0.368 0.000 1.035 407 T CB 0.133 69.155 68.868 0.257 0.000 0.932 407 T HN 0.763 nan 8.240 nan 0.000 0.469 408 N N 3.774 122.626 118.700 0.253 0.000 2.466 408 N HA 0.104 4.842 4.740 -0.003 0.000 0.251 408 N C 0.355 176.015 175.510 0.250 0.000 1.164 408 N CA -0.209 52.994 53.050 0.256 0.000 0.888 408 N CB 0.018 38.650 38.487 0.242 0.000 1.177 408 N HN 0.617 nan 8.380 nan 0.000 0.498 409 T N -1.735 112.963 114.554 0.239 0.000 2.856 409 T HA 0.122 4.471 4.350 -0.003 0.000 0.306 409 T C 1.002 175.882 174.700 0.299 0.000 1.062 409 T CA -0.036 62.200 62.100 0.226 0.000 1.083 409 T CB 0.748 69.723 68.868 0.177 0.000 0.984 409 T HN 0.254 nan 8.240 nan 0.000 0.542 410 S N 1.689 117.501 115.700 0.187 0.000 2.506 410 S HA 0.356 4.824 4.470 -0.003 0.000 0.230 410 S C 1.644 176.125 174.600 -0.199 0.000 1.066 410 S CA 0.299 58.536 58.200 0.062 0.000 0.940 410 S CB 0.268 63.524 63.200 0.093 0.000 0.818 410 S HN 0.846 nan 8.310 nan 0.000 0.518 411 A N 0.232 122.995 122.820 -0.095 0.000 2.551 411 A HA 0.525 4.843 4.320 -0.003 0.000 0.252 411 A C 0.136 177.728 177.584 0.013 0.000 1.199 411 A CA -0.263 51.703 52.037 -0.118 0.000 0.972 411 A CB 0.239 19.280 19.000 0.068 0.000 1.153 411 A HN 0.314 nan 8.150 nan 0.000 0.559 412 L N 1.305 122.552 121.223 0.040 0.000 2.289 412 L HA 0.298 4.636 4.340 -0.003 0.000 0.285 412 L C 0.026 176.940 176.870 0.073 0.000 1.049 412 L CA -0.855 54.021 54.840 0.060 0.000 0.804 412 L CB 0.901 42.993 42.059 0.056 0.000 1.195 412 L HN 0.212 nan 8.230 nan 0.000 0.428 413 N N 1.966 120.700 118.700 0.057 0.000 2.434 413 N HA -0.067 4.671 4.740 -0.003 0.000 0.268 413 N C 0.717 176.248 175.510 0.035 0.000 1.256 413 N CA 0.267 53.352 53.050 0.059 0.000 0.914 413 N CB 1.504 40.016 38.487 0.041 0.000 1.088 413 N HN 0.510 nan 8.380 nan 0.000 0.478 414 V N 3.920 123.866 119.914 0.054 0.000 2.626 414 V HA -0.168 3.950 4.120 -0.003 0.000 0.252 414 V C 1.242 177.326 176.094 -0.017 0.000 1.067 414 V CA 1.609 63.911 62.300 0.003 0.000 1.081 414 V CB -0.214 31.625 31.823 0.027 0.000 0.686 414 V HN 0.605 nan 8.190 nan 0.000 0.468 415 D N 0.477 120.884 120.400 0.011 0.000 2.104 415 D HA -0.175 4.464 4.640 -0.003 0.000 0.194 415 D C 1.817 178.137 176.300 0.034 0.000 0.994 415 D CA 1.849 55.867 54.000 0.030 0.000 0.830 415 D CB -0.390 40.422 40.800 0.020 0.000 0.959 415 D HN 0.500 nan 8.370 nan 0.000 0.452 416 D N 0.180 120.585 120.400 0.009 0.000 2.218 416 D HA -0.062 4.577 4.640 -0.003 0.000 0.204 416 D C 2.217 178.491 176.300 -0.043 0.000 0.976 416 D CA 0.304 54.304 54.000 -0.000 0.000 0.853 416 D CB -0.105 40.695 40.800 -0.001 0.000 0.939 416 D HN 0.341 nan 8.370 nan 0.000 0.481 417 I N 0.689 121.190 120.570 -0.116 0.000 2.406 417 I HA -0.110 4.059 4.170 -0.003 0.000 0.249 417 I C 2.402 178.377 176.117 -0.237 0.000 1.122 417 I CA 0.532 61.662 61.300 -0.283 0.000 1.431 417 I CB -0.155 37.518 38.000 -0.545 0.000 1.087 417 I HN -0.094 nan 8.210 nan 0.000 0.424 418 A N 1.108 123.867 122.820 -0.101 0.000 1.930 418 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 418 A C 2.478 180.101 177.584 0.064 0.000 1.175 418 A CA 1.927 53.983 52.037 0.032 0.000 0.627 418 A CB -0.743 18.332 19.000 0.125 0.000 0.815 418 A HN 0.509 nan 8.150 nan 0.000 0.443 419 S N 0.378 116.112 115.700 0.057 0.000 2.469 419 S HA -0.085 4.384 4.470 -0.003 0.000 0.238 419 S C 1.379 176.001 174.600 0.037 0.000 0.998 419 S CA 1.270 59.503 58.200 0.054 0.000 0.957 419 S CB -0.681 62.555 63.200 0.061 0.000 0.764 419 S HN 0.931 nan 8.310 nan 0.000 0.514 420 S N 1.301 117.026 115.700 0.040 0.000 2.519 420 S HA 0.430 4.898 4.470 -0.003 0.000 0.245 420 S C 0.169 174.823 174.600 0.090 0.000 1.152 420 S CA -0.251 57.982 58.200 0.056 0.000 1.175 420 S CB -0.507 62.726 63.200 0.056 0.000 0.829 420 S HN 0.636 nan 8.310 nan 0.000 0.472 421 T N -2.732 111.872 114.554 0.084 0.000 2.883 421 T HA 0.484 4.832 4.350 -0.003 0.000 0.301 421 T C -0.568 174.164 174.700 0.053 0.000 1.158 421 T CA -0.705 61.455 62.100 0.099 0.000 1.007 421 T CB 1.345 70.313 68.868 0.167 0.000 1.186 421 T HN -0.058 nan 8.240 nan 0.000 0.499 422 D N 0.387 120.812 120.400 0.041 0.000 2.349 422 D HA 0.109 4.747 4.640 -0.003 0.000 0.224 422 D C 0.800 177.105 176.300 0.009 0.000 1.029 422 D CA 0.156 54.164 54.000 0.013 0.000 0.879 422 D CB 0.177 40.980 40.800 0.004 0.000 0.906 422 D HN 0.494 nan 8.370 nan 0.000 0.528 423 R N -1.298 119.222 120.500 0.034 0.000 2.627 423 R HA 0.239 4.577 4.340 -0.003 0.000 0.251 423 R C -2.533 173.816 176.300 0.081 0.000 1.524 423 R CA -1.144 54.979 56.100 0.038 0.000 1.606 423 R CB 0.431 30.746 30.300 0.024 0.000 1.396 423 R HN -0.128 nan 8.270 nan 0.000 0.724 424 P HA -0.195 nan 4.420 nan 0.000 0.217 424 P C 1.162 178.577 177.300 0.191 0.000 1.148 424 P CA 1.200 64.381 63.100 0.135 0.000 0.828 424 P CB 0.302 32.033 31.700 0.051 0.000 0.783 425 Q N -1.100 118.787 119.800 0.146 0.000 2.291 425 Q HA -0.041 4.297 4.340 -0.003 0.000 0.206 425 Q C 1.335 177.440 176.000 0.176 0.000 0.976 425 Q CA 0.868 56.770 55.803 0.164 0.000 0.875 425 Q CB -0.389 28.421 28.738 0.119 0.000 0.927 425 Q HN 0.281 nan 8.270 nan 0.000 0.450 426 L N -0.248 121.072 121.223 0.163 0.000 2.818 426 L HA 0.244 4.583 4.340 -0.003 0.000 0.243 426 L C -0.543 176.484 176.870 0.262 0.000 1.185 426 L CA -0.369 54.606 54.840 0.224 0.000 0.988 426 L CB 1.053 43.154 42.059 0.071 0.000 1.292 426 L HN -0.125 nan 8.230 nan 0.000 0.519 427 V N 1.467 121.514 119.914 0.222 0.000 2.384 427 V HA 0.463 4.581 4.120 -0.003 0.000 0.287 427 V C -0.360 175.834 176.094 0.167 0.000 1.020 427 V CA -0.369 62.072 62.300 0.235 0.000 0.850 427 V CB 2.743 34.710 31.823 0.240 0.000 0.987 427 V HN 0.098 nan 8.190 nan 0.000 0.436 428 I N 2.937 123.602 120.570 0.158 0.000 2.894 428 I HA 0.750 4.918 4.170 -0.003 0.000 0.302 428 I C 0.437 176.595 176.117 0.068 0.000 1.188 428 I CA -0.633 60.710 61.300 0.071 0.000 1.014 428 I CB 2.303 40.312 38.000 0.015 0.000 1.242 428 I HN 0.684 nan 8.210 nan 0.000 0.430 429 G N 2.257 111.055 108.800 -0.003 0.000 2.355 429 G HA2 0.453 4.411 3.960 -0.003 0.000 0.276 429 G HA3 0.453 4.411 3.960 -0.003 0.000 0.276 429 G C -0.340 174.522 174.900 -0.064 0.000 1.198 429 G CA -0.068 45.017 45.100 -0.025 0.000 0.876 429 G HN 0.611 nan 8.290 nan 0.000 0.478 430 T N -0.032 114.533 114.554 0.018 0.000 3.060 430 T HA 0.266 4.614 4.350 -0.003 0.000 0.367 430 T C -0.229 174.491 174.700 0.034 0.000 1.229 430 T CA -0.760 61.318 62.100 -0.037 0.000 1.104 430 T CB 0.368 69.254 68.868 0.031 0.000 1.083 430 T HN 0.617 nan 8.240 nan 0.000 0.524 431 H N 4.490 123.451 119.070 -0.182 0.000 2.969 431 H HA 0.289 4.843 4.556 -0.003 0.000 0.269 431 H C -0.679 174.568 175.328 -0.136 0.000 1.223 431 H CA -0.585 55.387 56.048 -0.126 0.000 1.400 431 H CB -0.101 29.526 29.762 -0.225 0.000 1.500 431 H HN 0.484 nan 8.280 nan 0.000 0.486 432 F N 3.565 123.331 119.950 -0.307 0.000 2.408 432 F HA 0.185 4.710 4.527 -0.003 0.000 0.303 432 F C 0.028 175.518 175.800 -0.518 0.000 1.268 432 F CA 0.194 58.059 58.000 -0.226 0.000 1.218 432 F CB 0.514 39.443 39.000 -0.118 0.000 1.283 432 F HN 0.398 nan 8.300 nan 0.000 0.545 433 F N 0.105 120.037 119.950 -0.030 0.000 2.557 433 F HA 0.300 4.826 4.527 -0.003 0.000 0.316 433 F C -0.062 175.708 175.800 -0.049 0.000 1.141 433 F CA -0.715 57.215 58.000 -0.117 0.000 0.922 433 F CB 1.886 40.784 39.000 -0.170 0.000 1.194 433 F HN 0.152 nan 8.300 nan 0.000 0.443 434 S N 3.604 119.347 115.700 0.073 0.000 2.554 434 S HA 0.581 5.049 4.470 -0.003 0.000 0.278 434 S C -2.534 172.098 174.600 0.054 0.000 1.242 434 S CA -1.396 56.835 58.200 0.052 0.000 1.051 434 S CB 0.633 63.844 63.200 0.019 0.000 0.986 434 S HN 0.268 nan 8.310 nan 0.000 0.502 435 P HA 0.216 nan 4.420 nan 0.000 0.271 435 P C -0.127 177.193 177.300 0.034 0.000 1.233 435 P CA -0.181 62.954 63.100 0.059 0.000 0.764 435 P CB 0.635 32.365 31.700 0.050 0.000 0.825 436 A N 3.253 126.136 122.820 0.104 0.000 2.209 436 A HA -0.151 4.168 4.320 -0.003 0.000 0.212 436 A C 1.555 179.190 177.584 0.085 0.000 1.158 436 A CA 0.892 52.982 52.037 0.088 0.000 0.742 436 A CB -1.093 17.907 19.000 -0.000 0.000 0.790 436 A HN 0.747 nan 8.150 nan 0.000 0.472 437 H N -2.408 116.651 119.070 -0.019 0.000 2.563 437 H HA 0.231 4.786 4.556 -0.003 0.000 0.264 437 H C 1.214 176.530 175.328 -0.019 0.000 0.957 437 H CA 1.157 57.188 56.048 -0.029 0.000 1.173 437 H CB -0.406 29.338 29.762 -0.029 0.000 1.420 437 H HN 0.221 nan 8.280 nan 0.000 0.551 438 V N 0.872 120.497 119.914 -0.482 0.000 2.735 438 V HA 0.062 4.181 4.120 -0.003 0.000 0.234 438 V C 1.323 177.315 176.094 -0.170 0.000 1.121 438 V CA 0.039 62.118 62.300 -0.368 0.000 1.160 438 V CB -0.025 31.535 31.823 -0.439 0.000 0.908 438 V HN 0.150 nan 8.190 nan 0.000 0.495 439 M N 1.510 121.041 119.600 -0.115 0.000 2.290 439 M HA 0.018 4.496 4.480 -0.003 0.000 0.356 439 M C 1.265 177.521 176.300 -0.074 0.000 1.448 439 M CA 0.906 56.167 55.300 -0.065 0.000 0.993 439 M CB 0.041 32.647 32.600 0.009 0.000 1.934 439 M HN 0.284 nan 8.290 nan 0.000 0.461 440 R N 1.684 122.104 120.500 -0.134 0.000 2.173 440 R HA 0.110 4.449 4.340 -0.003 0.000 0.208 440 R C 0.341 176.479 176.300 -0.270 0.000 1.035 440 R CA 0.034 56.014 56.100 -0.199 0.000 1.004 440 R CB -0.012 30.134 30.300 -0.257 0.000 0.917 440 R HN 0.435 nan 8.270 nan 0.000 0.462 441 L N 1.960 122.989 121.223 -0.324 0.000 2.453 441 L HA 0.128 4.467 4.340 -0.003 0.000 0.272 441 L C -0.595 176.118 176.870 -0.261 0.000 1.182 441 L CA 0.266 54.862 54.840 -0.406 0.000 0.858 441 L CB 0.585 42.212 42.059 -0.721 0.000 1.120 441 L HN -0.087 nan 8.230 nan 0.000 0.474 442 L N 5.018 126.086 121.223 -0.257 0.000 2.427 442 L HA 0.446 4.784 4.340 -0.003 0.000 0.264 442 L C -0.421 176.345 176.870 -0.174 0.000 0.989 442 L CA -0.107 54.570 54.840 -0.272 0.000 0.865 442 L CB 1.224 42.986 42.059 -0.496 0.000 1.209 442 L HN 0.686 nan 8.230 nan 0.000 0.430 443 E N 2.981 123.192 120.200 0.019 0.000 2.360 443 E HA 0.348 4.696 4.350 -0.003 0.000 0.269 443 E C -1.073 175.419 176.600 -0.179 0.000 1.022 443 E CA -0.171 56.219 56.400 -0.017 0.000 0.887 443 E CB 1.450 31.239 29.700 0.148 0.000 0.990 443 E HN 0.408 nan 8.360 nan 0.000 0.426 444 V N 5.610 125.396 119.914 -0.214 0.000 2.407 444 V HA 0.291 4.409 4.120 -0.003 0.000 0.291 444 V C -0.599 175.348 176.094 -0.244 0.000 1.018 444 V CA -0.609 61.546 62.300 -0.243 0.000 0.842 444 V CB 1.134 32.800 31.823 -0.262 0.000 0.996 444 V HN 0.483 nan 8.190 nan 0.000 0.426 445 I N 7.516 127.932 120.570 -0.257 0.000 2.428 445 I HA 0.405 4.574 4.170 -0.003 0.000 0.279 445 I C -2.524 173.520 176.117 -0.123 0.000 1.040 445 I CA -1.861 59.303 61.300 -0.227 0.000 1.171 445 I CB 1.587 39.361 38.000 -0.377 0.000 1.312 445 I HN 0.397 nan 8.210 nan 0.000 0.470 446 P HA 0.144 nan 4.420 nan 0.000 0.271 446 P C 0.079 177.362 177.300 -0.027 0.000 1.216 446 P CA -0.159 62.906 63.100 -0.058 0.000 0.771 446 P CB 0.753 32.422 31.700 -0.052 0.000 0.864 447 S N 3.515 119.208 115.700 -0.012 0.000 2.625 447 S HA 0.217 4.686 4.470 -0.003 0.000 0.262 447 S C 1.328 175.858 174.600 -0.116 0.000 1.223 447 S CA -0.412 57.769 58.200 -0.031 0.000 0.993 447 S CB 0.378 63.588 63.200 0.016 0.000 1.051 447 S HN 0.310 nan 8.310 nan 0.000 0.562 448 R N -0.775 119.553 120.500 -0.287 0.000 2.200 448 R HA -0.073 4.265 4.340 -0.003 0.000 0.234 448 R C 0.800 176.709 176.300 -0.651 0.000 1.127 448 R CA 1.619 57.360 56.100 -0.600 0.000 0.989 448 R CB -0.376 29.291 30.300 -1.054 0.000 0.869 448 R HN 0.741 nan 8.270 nan 0.000 0.459 449 Y N -1.443 118.887 120.300 0.051 0.000 2.432 449 Y HA 0.259 4.807 4.550 -0.003 0.000 0.252 449 Y C 0.589 176.527 175.900 0.065 0.000 1.097 449 Y CA -0.630 57.504 58.100 0.056 0.000 1.250 449 Y CB 0.357 38.847 38.460 0.051 0.000 1.245 449 Y HN -0.240 nan 8.280 nan 0.000 0.522 450 S N 2.079 117.870 115.700 0.151 0.000 2.673 450 S HA 0.053 4.521 4.470 -0.003 0.000 0.308 450 S C 0.633 175.307 174.600 0.124 0.000 1.246 450 S CA 0.034 58.308 58.200 0.125 0.000 1.077 450 S CB -0.074 63.160 63.200 0.057 0.000 0.814 450 S HN 0.423 nan 8.310 nan 0.000 0.503 451 S N 4.027 119.816 115.700 0.148 0.000 2.585 451 S HA 0.247 4.715 4.470 -0.003 0.000 0.273 451 S C -1.942 172.746 174.600 0.146 0.000 1.339 451 S CA -1.267 57.024 58.200 0.151 0.000 1.028 451 S CB 0.554 63.852 63.200 0.163 0.000 0.906 451 S HN 0.299 nan 8.310 nan 0.000 0.528 452 P HA -0.124 nan 4.420 nan 0.000 0.217 452 P C 1.444 178.883 177.300 0.232 0.000 1.151 452 P CA 1.651 64.916 63.100 0.274 0.000 0.849 452 P CB -0.345 31.509 31.700 0.257 0.000 0.787 453 T N -1.302 113.362 114.554 0.184 0.000 2.652 453 T HA -0.164 4.185 4.350 -0.003 0.000 0.267 453 T C 1.749 176.482 174.700 0.054 0.000 1.039 453 T CA 2.137 64.336 62.100 0.164 0.000 1.153 453 T CB -1.503 67.494 68.868 0.214 0.000 0.863 453 T HN 0.177 nan 8.240 nan 0.000 0.428 454 T N 2.675 117.287 114.554 0.098 0.000 2.565 454 T HA -0.152 4.197 4.350 -0.003 0.000 0.265 454 T C 1.970 176.513 174.700 -0.261 0.000 1.082 454 T CA 1.681 63.719 62.100 -0.104 0.000 1.173 454 T CB -0.722 68.227 68.868 0.136 0.000 0.864 454 T HN 0.335 nan 8.240 nan 0.000 0.425 455 I N 1.419 121.859 120.570 -0.217 0.000 2.113 455 I HA -0.291 3.878 4.170 -0.003 0.000 0.242 455 I C 2.979 178.799 176.117 -0.496 0.000 1.064 455 I CA 1.630 62.648 61.300 -0.470 0.000 1.320 455 I CB -0.705 36.824 38.000 -0.786 0.000 1.028 455 I HN 0.251 nan 8.210 nan 0.000 0.406 456 A N 0.471 123.176 122.820 -0.191 0.000 1.902 456 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 456 A C 2.381 179.933 177.584 -0.053 0.000 1.181 456 A CA 2.450 54.535 52.037 0.080 0.000 0.623 456 A CB -1.130 18.079 19.000 0.349 0.000 0.818 456 A HN 0.456 nan 8.150 nan 0.000 0.443 457 T N -0.170 114.281 114.554 -0.172 0.000 2.684 457 T HA -0.152 4.196 4.350 -0.003 0.000 0.267 457 T C 1.865 176.413 174.700 -0.254 0.000 1.036 457 T CA 1.684 63.621 62.100 -0.271 0.000 1.148 457 T CB -0.611 67.853 68.868 -0.673 0.000 0.863 457 T HN 0.151 nan 8.240 nan 0.000 0.436 458 V N 1.605 121.332 119.914 -0.310 0.000 2.332 458 V HA -0.194 3.924 4.120 -0.003 0.000 0.248 458 V C 2.644 178.630 176.094 -0.181 0.000 1.055 458 V CA 1.451 63.617 62.300 -0.223 0.000 1.038 458 V CB -0.605 31.075 31.823 -0.238 0.000 0.651 458 V HN 0.412 nan 8.190 nan 0.000 0.450 459 M N -0.193 119.277 119.600 -0.217 0.000 2.065 459 M HA -0.160 4.318 4.480 -0.003 0.000 0.259 459 M C 2.561 178.817 176.300 -0.074 0.000 1.069 459 M CA 2.308 57.509 55.300 -0.165 0.000 1.110 459 M CB -1.591 30.915 32.600 -0.157 0.000 1.328 459 M HN 0.479 nan 8.290 nan 0.000 0.405 460 S N 0.467 116.152 115.700 -0.026 0.000 2.383 460 S HA -0.146 4.323 4.470 -0.003 0.000 0.229 460 S C 1.885 176.475 174.600 -0.016 0.000 1.030 460 S CA 1.071 59.270 58.200 -0.001 0.000 1.002 460 S CB -0.245 62.971 63.200 0.025 0.000 0.829 460 S HN 0.336 nan 8.310 nan 0.000 0.467 461 L N 2.026 123.234 121.223 -0.024 0.000 2.093 461 L HA 0.011 4.349 4.340 -0.003 0.000 0.208 461 L C 2.623 179.483 176.870 -0.016 0.000 1.085 461 L CA 2.328 57.181 54.840 0.022 0.000 0.755 461 L CB -1.093 41.008 42.059 0.069 0.000 0.904 461 L HN 0.556 nan 8.230 nan 0.000 0.435 462 S N -1.231 114.423 115.700 -0.077 0.000 2.383 462 S HA -0.248 4.221 4.470 -0.003 0.000 0.227 462 S C 2.181 176.703 174.600 -0.130 0.000 1.026 462 S CA 1.301 59.419 58.200 -0.136 0.000 0.981 462 S CB -0.503 62.580 63.200 -0.194 0.000 0.818 462 S HN 0.513 nan 8.310 nan 0.000 0.472 463 K N 1.142 121.483 120.400 -0.099 0.000 2.026 463 K HA -0.094 4.224 4.320 -0.003 0.000 0.208 463 K C 2.409 178.968 176.600 -0.069 0.000 1.048 463 K CA 1.454 57.688 56.287 -0.089 0.000 0.929 463 K CB -0.276 32.186 32.500 -0.064 0.000 0.713 463 K HN 0.404 nan 8.250 nan 0.000 0.439 464 K N 0.991 121.367 120.400 -0.040 0.000 2.113 464 K HA -0.140 4.178 4.320 -0.003 0.000 0.208 464 K C 1.832 178.407 176.600 -0.041 0.000 1.047 464 K CA 1.728 58.004 56.287 -0.019 0.000 0.928 464 K CB -0.165 32.347 32.500 0.021 0.000 0.716 464 K HN 0.405 nan 8.250 nan 0.000 0.446 465 I N -3.747 116.770 120.570 -0.087 0.000 3.812 465 I HA 0.274 4.442 4.170 -0.003 0.000 0.320 465 I C 0.705 176.742 176.117 -0.134 0.000 1.276 465 I CA 0.456 61.669 61.300 -0.145 0.000 1.164 465 I CB 0.194 37.998 38.000 -0.327 0.000 1.009 465 I HN 0.225 nan 8.210 nan 0.000 0.431 466 G N 1.607 110.337 108.800 -0.116 0.000 2.143 466 G HA2 -0.252 3.707 3.960 -0.003 0.000 0.249 466 G HA3 -0.252 3.707 3.960 -0.003 0.000 0.249 466 G C 0.175 174.983 174.900 -0.153 0.000 0.981 466 G CA 0.146 45.174 45.100 -0.121 0.000 0.665 466 G HN 0.543 nan 8.290 nan 0.000 0.528 467 K N -0.808 119.489 120.400 -0.172 0.000 2.267 467 K HA 0.755 5.074 4.320 -0.003 0.000 0.236 467 K C -0.163 176.287 176.600 -0.250 0.000 1.030 467 K CA -0.901 55.260 56.287 -0.210 0.000 0.930 467 K CB 1.357 33.734 32.500 -0.205 0.000 1.182 467 K HN 0.106 nan 8.250 nan 0.000 0.474 468 I N 1.274 121.659 120.570 -0.309 0.000 2.405 468 I HA 0.177 4.345 4.170 -0.003 0.000 0.280 468 I C 0.256 176.194 176.117 -0.298 0.000 1.027 468 I CA -0.308 60.795 61.300 -0.329 0.000 1.161 468 I CB 1.561 39.284 38.000 -0.462 0.000 1.300 468 I HN 0.592 nan 8.210 nan 0.000 0.463 469 G N 5.439 114.084 108.800 -0.259 0.000 2.432 469 G HA2 0.532 4.491 3.960 -0.003 0.000 0.257 469 G HA3 0.532 4.491 3.960 -0.003 0.000 0.257 469 G C -0.669 174.085 174.900 -0.244 0.000 1.238 469 G CA -0.156 44.793 45.100 -0.251 0.000 0.838 469 G HN 0.335 nan 8.290 nan 0.000 0.547 470 V N 2.084 121.866 119.914 -0.219 0.000 2.686 470 V HA 0.269 4.388 4.120 -0.003 0.000 0.306 470 V C -0.197 175.815 176.094 -0.136 0.000 1.065 470 V CA -0.745 61.435 62.300 -0.201 0.000 0.894 470 V CB 2.036 33.762 31.823 -0.161 0.000 1.004 470 V HN 0.552 nan 8.190 nan 0.000 0.424 471 V N 6.030 125.894 119.914 -0.084 0.000 2.368 471 V HA 0.462 4.580 4.120 -0.003 0.000 0.266 471 V C 0.109 176.226 176.094 0.039 0.000 1.045 471 V CA -0.123 62.145 62.300 -0.053 0.000 0.899 471 V CB 1.371 33.175 31.823 -0.032 0.000 1.006 471 V HN 0.744 nan 8.190 nan 0.000 0.470 472 V N 2.929 122.839 119.914 -0.007 0.000 3.046 472 V HA 0.988 5.107 4.120 -0.003 0.000 0.316 472 V C 0.667 176.795 176.094 0.056 0.000 1.104 472 V CA -0.421 61.912 62.300 0.054 0.000 1.006 472 V CB 1.510 33.378 31.823 0.075 0.000 1.058 472 V HN 0.778 nan 8.190 nan 0.000 0.440 473 G N 0.728 109.594 108.800 0.110 0.000 2.732 473 G HA2 0.094 4.052 3.960 -0.003 0.000 0.244 473 G HA3 0.094 4.052 3.960 -0.003 0.000 0.244 473 G C 0.198 175.202 174.900 0.174 0.000 1.226 473 G CA 0.304 45.478 45.100 0.123 0.000 0.860 473 G HN 1.139 nan 8.290 nan 0.000 0.583 474 N N -1.137 117.661 118.700 0.163 0.000 2.320 474 N HA 0.071 4.809 4.740 -0.003 0.000 0.237 474 N C 0.879 176.510 175.510 0.201 0.000 1.129 474 N CA -0.420 52.764 53.050 0.224 0.000 0.854 474 N CB -0.473 38.091 38.487 0.129 0.000 1.083 474 N HN 0.680 nan 8.380 nan 0.000 0.504 475 C N -0.719 118.688 119.300 0.179 0.000 2.649 475 C HA 0.308 4.767 4.460 -0.003 0.000 0.377 475 C C 0.943 175.938 174.990 0.008 0.000 1.321 475 C CA -1.522 57.562 59.018 0.110 0.000 2.368 475 C CB -0.900 26.902 27.740 0.103 0.000 2.597 475 C HN 0.481 nan 8.230 nan 0.000 0.678 476 Y N 1.797 122.021 120.300 -0.127 0.000 2.511 476 Y HA 0.434 4.982 4.550 -0.003 0.000 0.332 476 Y C 1.386 177.103 175.900 -0.304 0.000 1.177 476 Y CA 1.426 59.370 58.100 -0.260 0.000 1.422 476 Y CB 0.205 38.575 38.460 -0.150 0.000 1.271 476 Y HN 1.545 nan 8.280 nan 0.000 0.550 477 G N 4.722 112.739 108.800 -1.306 0.000 2.175 477 G HA2 -0.382 3.576 3.960 -0.003 0.000 0.265 477 G HA3 -0.382 3.576 3.960 -0.003 0.000 0.265 477 G C 0.389 175.015 174.900 -0.457 0.000 0.979 477 G CA 0.081 44.634 45.100 -0.911 0.000 0.663 477 G HN 0.979 nan 8.290 nan 0.000 0.533 478 F N -2.341 117.524 119.950 -0.141 0.000 3.239 478 F HA -0.350 4.175 4.527 -0.003 0.000 0.258 478 F C 2.251 178.070 175.800 0.031 0.000 1.467 478 F CA 1.649 59.625 58.000 -0.039 0.000 1.749 478 F CB -1.697 37.271 39.000 -0.054 0.000 0.557 478 F HN 0.157 nan 8.300 nan 0.000 0.354 479 V N -0.274 119.834 119.914 0.324 0.000 2.492 479 V HA 0.092 4.210 4.120 -0.003 0.000 0.241 479 V C 2.139 178.392 176.094 0.266 0.000 1.041 479 V CA 1.932 64.374 62.300 0.237 0.000 1.057 479 V CB -0.602 31.354 31.823 0.221 0.000 0.711 479 V HN 0.906 nan 8.190 nan 0.000 0.468 480 G N 0.255 109.277 108.800 0.370 0.000 2.454 480 G HA2 -0.203 3.756 3.960 -0.003 0.000 0.214 480 G HA3 -0.203 3.756 3.960 -0.003 0.000 0.214 480 G C 1.374 176.390 174.900 0.194 0.000 1.217 480 G CA 0.756 46.098 45.100 0.404 0.000 0.799 480 G HN 0.459 nan 8.290 nan 0.000 0.538 481 N N 0.256 119.134 118.700 0.297 0.000 2.223 481 N HA -0.065 4.673 4.740 -0.003 0.000 0.185 481 N C 2.113 177.671 175.510 0.080 0.000 1.016 481 N CA 0.655 53.812 53.050 0.178 0.000 0.863 481 N CB -0.335 38.228 38.487 0.127 0.000 0.983 481 N HN 0.342 nan 8.380 nan 0.000 0.429 482 R N 0.448 120.976 120.500 0.047 0.000 2.081 482 R HA 0.019 4.357 4.340 -0.003 0.000 0.235 482 R C 1.970 178.314 176.300 0.073 0.000 1.131 482 R CA 1.062 57.192 56.100 0.050 0.000 0.960 482 R CB -0.124 30.201 30.300 0.042 0.000 0.856 482 R HN 0.192 nan 8.270 nan 0.000 0.436 483 M N 0.157 119.801 119.600 0.072 0.000 2.254 483 M HA -0.125 4.354 4.480 -0.003 0.000 0.265 483 M C 2.012 178.327 176.300 0.026 0.000 1.066 483 M CA 0.837 56.145 55.300 0.013 0.000 1.123 483 M CB 0.030 32.601 32.600 -0.049 0.000 1.388 483 M HN 0.154 nan 8.290 nan 0.000 0.425 484 L N 0.103 121.367 121.223 0.068 0.000 2.201 484 L HA -0.074 4.265 4.340 -0.003 0.000 0.212 484 L C 2.473 179.487 176.870 0.239 0.000 1.105 484 L CA 1.557 56.473 54.840 0.127 0.000 0.775 484 L CB -0.689 41.454 42.059 0.140 0.000 0.913 484 L HN 0.215 nan 8.230 nan 0.000 0.440 485 A N 0.276 123.206 122.820 0.183 0.000 1.865 485 A HA -0.129 4.189 4.320 -0.003 0.000 0.217 485 A C -0.040 177.619 177.584 0.125 0.000 1.191 485 A CA 1.943 54.088 52.037 0.181 0.000 0.623 485 A CB -1.989 17.113 19.000 0.171 0.000 0.826 485 A HN 0.389 nan 8.150 nan 0.000 0.444 486 P HA -0.154 nan 4.420 nan 0.000 0.217 486 P C 1.439 178.743 177.300 0.008 0.000 1.150 486 P CA 1.170 64.314 63.100 0.073 0.000 0.832 486 P CB -0.215 31.532 31.700 0.079 0.000 0.787 487 Y N -0.361 119.845 120.300 -0.156 0.000 2.053 487 Y HA -0.300 4.249 4.550 -0.003 0.000 0.277 487 Y C 2.233 177.838 175.900 -0.491 0.000 1.159 487 Y CA 1.750 59.663 58.100 -0.311 0.000 1.125 487 Y CB -1.301 36.956 38.460 -0.338 0.000 0.969 487 Y HN -0.119 nan 8.280 nan 0.000 0.492 488 Y N 0.266 120.299 120.300 -0.445 0.000 2.224 488 Y HA -0.228 4.320 4.550 -0.003 0.000 0.289 488 Y C 2.396 177.580 175.900 -1.195 0.000 1.146 488 Y CA 1.873 59.426 58.100 -0.911 0.000 1.182 488 Y CB -0.832 37.215 38.460 -0.689 0.000 0.983 488 Y HN 0.222 nan 8.280 nan 0.000 0.524 489 N N -0.414 117.964 118.700 -0.538 0.000 2.043 489 N HA -0.189 4.549 4.740 -0.003 0.000 0.193 489 N C 1.807 176.895 175.510 -0.703 0.000 1.037 489 N CA 1.474 54.177 53.050 -0.579 0.000 0.851 489 N CB -0.357 37.989 38.487 -0.236 0.000 1.027 489 N HN 0.198 nan 8.380 nan 0.000 0.422 490 Q N -0.006 119.597 119.800 -0.328 0.000 2.077 490 Q HA -0.071 4.267 4.340 -0.003 0.000 0.206 490 Q C 2.196 178.053 176.000 -0.238 0.000 0.989 490 Q CA 1.685 57.415 55.803 -0.122 0.000 0.853 490 Q CB -1.167 27.494 28.738 -0.130 0.000 0.907 490 Q HN 0.505 nan 8.270 nan 0.000 0.418 491 G N -0.046 108.460 108.800 -0.491 0.000 2.469 491 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.219 491 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.219 491 G C 1.133 175.989 174.900 -0.073 0.000 1.150 491 G CA 0.886 45.742 45.100 -0.406 0.000 0.763 491 G HN 0.244 nan 8.290 nan 0.000 0.561 492 F N 0.508 120.345 119.950 -0.189 0.000 2.084 492 F HA 0.155 4.681 4.527 -0.003 0.000 0.296 492 F C 2.451 178.220 175.800 -0.052 0.000 1.111 492 F CA -0.024 57.892 58.000 -0.139 0.000 1.224 492 F CB -1.224 37.590 39.000 -0.310 0.000 0.991 492 F HN 0.052 nan 8.300 nan 0.000 0.471 493 F N 0.271 120.336 119.950 0.192 0.000 2.202 493 F HA -0.186 4.339 4.527 -0.003 0.000 0.301 493 F C 2.327 178.165 175.800 0.063 0.000 1.082 493 F CA 0.793 58.858 58.000 0.107 0.000 1.313 493 F CB -1.613 37.426 39.000 0.065 0.000 1.024 493 F HN -0.051 nan 8.300 nan 0.000 0.495 494 L N -0.747 120.592 121.223 0.193 0.000 2.027 494 L HA -0.204 4.134 4.340 -0.003 0.000 0.206 494 L C 2.459 179.368 176.870 0.066 0.000 1.074 494 L CA 0.980 55.875 54.840 0.091 0.000 0.745 494 L CB -0.833 41.235 42.059 0.015 0.000 0.898 494 L HN 0.134 nan 8.230 nan 0.000 0.433 495 L N -0.427 120.830 121.223 0.056 0.000 2.012 495 L HA -0.245 4.094 4.340 -0.003 0.000 0.210 495 L C 2.587 179.495 176.870 0.065 0.000 1.073 495 L CA 1.496 56.339 54.840 0.004 0.000 0.748 495 L CB -0.727 41.308 42.059 -0.040 0.000 0.891 495 L HN 0.332 nan 8.230 nan 0.000 0.431 496 E N 0.311 120.598 120.200 0.144 0.000 2.070 496 E HA -0.256 4.093 4.350 -0.003 0.000 0.197 496 E C 1.897 178.567 176.600 0.117 0.000 1.004 496 E CA 1.516 58.031 56.400 0.192 0.000 0.805 496 E CB -0.092 29.781 29.700 0.288 0.000 0.744 496 E HN 0.546 nan 8.360 nan 0.000 0.451 497 E N -1.129 119.135 120.200 0.106 0.000 2.511 497 E HA 0.004 4.352 4.350 -0.003 0.000 0.196 497 E C 0.739 177.363 176.600 0.039 0.000 1.066 497 E CA 0.326 56.765 56.400 0.065 0.000 0.871 497 E CB 0.541 30.283 29.700 0.070 0.000 0.863 497 E HN 0.390 nan 8.360 nan 0.000 0.520 498 G N 0.799 109.618 108.800 0.031 0.000 2.200 498 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.145 498 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.145 498 G C 0.166 175.063 174.900 -0.005 0.000 1.021 498 G CA 0.118 45.224 45.100 0.009 0.000 0.720 498 G HN 0.197 nan 8.290 nan 0.000 0.494 499 S N -0.529 115.163 115.700 -0.013 0.000 2.719 499 S HA 0.852 5.321 4.470 -0.003 0.000 0.285 499 S C 0.121 174.674 174.600 -0.078 0.000 1.137 499 S CA -0.134 58.044 58.200 -0.037 0.000 1.012 499 S CB 1.232 64.410 63.200 -0.038 0.000 1.134 499 S HN 0.331 nan 8.310 nan 0.000 0.544 500 K N 0.604 120.941 120.400 -0.105 0.000 2.435 500 K HA 0.430 4.749 4.320 -0.003 0.000 0.251 500 K C -1.983 174.451 176.600 -0.276 0.000 0.954 500 K CA -2.269 53.915 56.287 -0.171 0.000 0.820 500 K CB 1.703 34.140 32.500 -0.104 0.000 1.292 500 K HN 0.270 nan 8.250 nan 0.000 0.436 501 P HA -0.281 nan 4.420 nan 0.000 0.217 501 P C 0.779 177.997 177.300 -0.136 0.000 1.151 501 P CA 1.554 64.236 63.100 -0.697 0.000 0.849 501 P CB 0.231 31.325 31.700 -1.009 0.000 0.787 502 E N -0.159 120.036 120.200 -0.009 0.000 2.274 502 E HA -0.160 4.189 4.350 -0.003 0.000 0.194 502 E C 1.002 177.666 176.600 0.106 0.000 0.996 502 E CA 1.023 57.542 56.400 0.199 0.000 0.840 502 E CB -0.790 29.035 29.700 0.208 0.000 0.772 502 E HN 0.208 nan 8.360 nan 0.000 0.491 503 D N 1.586 122.003 120.400 0.029 0.000 2.107 503 D HA -0.071 4.567 4.640 -0.003 0.000 0.204 503 D C 2.313 178.629 176.300 0.026 0.000 0.978 503 D CA 1.237 55.249 54.000 0.020 0.000 0.852 503 D CB -0.498 40.297 40.800 -0.009 0.000 1.008 503 D HN 0.044 nan 8.370 nan 0.000 0.458 504 V N 1.781 121.699 119.914 0.007 0.000 2.252 504 V HA -0.260 3.858 4.120 -0.003 0.000 0.249 504 V C 1.850 177.963 176.094 0.030 0.000 1.056 504 V CA 2.051 64.356 62.300 0.009 0.000 1.022 504 V CB -0.507 31.353 31.823 0.062 0.000 0.641 504 V HN 0.082 nan 8.190 nan 0.000 0.445 505 D N 0.349 120.821 120.400 0.120 0.000 2.144 505 D HA -0.102 4.536 4.640 -0.003 0.000 0.199 505 D C 2.165 178.528 176.300 0.105 0.000 0.984 505 D CA 1.547 55.627 54.000 0.132 0.000 0.834 505 D CB -0.623 40.337 40.800 0.267 0.000 0.955 505 D HN 0.483 nan 8.370 nan 0.000 0.465 506 G N 0.350 109.213 108.800 0.105 0.000 2.402 506 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.216 506 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.216 506 G C 1.850 176.798 174.900 0.080 0.000 1.162 506 G CA 0.585 45.740 45.100 0.091 0.000 0.777 506 G HN 0.218 nan 8.290 nan 0.000 0.539 507 V N 0.855 120.806 119.914 0.061 0.000 2.237 507 V HA -0.133 3.985 4.120 -0.003 0.000 0.245 507 V C 2.912 179.062 176.094 0.094 0.000 1.046 507 V CA 1.645 63.980 62.300 0.059 0.000 1.007 507 V CB -0.480 31.353 31.823 0.017 0.000 0.638 507 V HN 0.317 nan 8.190 nan 0.000 0.445 508 L N -0.510 120.756 121.223 0.071 0.000 2.131 508 L HA -0.179 4.159 4.340 -0.003 0.000 0.210 508 L C 2.455 179.486 176.870 0.268 0.000 1.092 508 L CA 1.517 56.446 54.840 0.149 0.000 0.759 508 L CB -0.472 41.595 42.059 0.013 0.000 0.903 508 L HN 0.367 nan 8.230 nan 0.000 0.435 509 E N -0.587 119.718 120.200 0.175 0.000 2.208 509 E HA -0.234 4.114 4.350 -0.003 0.000 0.193 509 E C 2.023 178.703 176.600 0.133 0.000 0.988 509 E CA 0.769 57.269 56.400 0.166 0.000 0.828 509 E CB 0.130 29.902 29.700 0.120 0.000 0.763 509 E HN 0.444 nan 8.360 nan 0.000 0.478 510 E N 0.163 120.440 120.200 0.128 0.000 2.046 510 E HA -0.185 4.163 4.350 -0.003 0.000 0.190 510 E C 1.718 178.377 176.600 0.098 0.000 0.982 510 E CA 0.558 57.018 56.400 0.101 0.000 0.800 510 E CB -0.132 29.626 29.700 0.096 0.000 0.756 510 E HN 0.222 nan 8.360 nan 0.000 0.449 511 F N -0.017 119.923 119.950 -0.015 0.000 2.225 511 F HA -0.182 4.343 4.527 -0.003 0.000 0.302 511 F C 1.398 177.077 175.800 -0.201 0.000 1.068 511 F CA 2.071 60.011 58.000 -0.099 0.000 1.327 511 F CB 0.076 38.996 39.000 -0.134 0.000 1.043 511 F HN 0.240 nan 8.300 nan 0.000 0.506 512 G N -1.956 106.762 108.800 -0.138 0.000 2.738 512 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.195 512 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.195 512 G C 0.120 174.892 174.900 -0.212 0.000 1.001 512 G CA -0.301 44.632 45.100 -0.279 0.000 0.759 512 G HN 0.127 nan 8.290 nan 0.000 0.494 513 F N 2.467 122.371 119.950 -0.077 0.000 2.578 513 F HA 0.368 4.893 4.527 -0.003 0.000 0.381 513 F C 1.867 177.667 175.800 -0.000 0.000 1.069 513 F CA 0.217 58.192 58.000 -0.042 0.000 1.231 513 F CB 1.047 40.046 39.000 -0.003 0.000 1.086 513 F HN -0.121 nan 8.300 nan 0.000 0.564 514 K N 2.745 123.260 120.400 0.192 0.000 2.089 514 K HA -0.155 4.163 4.320 -0.003 0.000 0.210 514 K C 0.255 176.931 176.600 0.126 0.000 1.048 514 K CA 1.612 57.974 56.287 0.125 0.000 0.926 514 K CB -0.030 32.530 32.500 0.101 0.000 0.714 514 K HN 0.722 nan 8.250 nan 0.000 0.448 515 M N -0.420 119.276 119.600 0.160 0.000 2.277 515 M HA 0.281 4.759 4.480 -0.003 0.000 0.282 515 M C -0.543 175.801 176.300 0.074 0.000 1.074 515 M CA -0.419 54.939 55.300 0.098 0.000 0.954 515 M CB 2.058 34.704 32.600 0.076 0.000 1.672 515 M HN 0.087 nan 8.290 nan 0.000 0.471 516 G N 4.133 112.965 108.800 0.055 0.000 2.614 516 G HA2 0.276 4.234 3.960 -0.003 0.000 0.239 516 G HA3 0.276 4.234 3.960 -0.003 0.000 0.239 516 G C -2.373 172.500 174.900 -0.044 0.000 1.240 516 G CA -1.017 44.085 45.100 0.003 0.000 0.842 516 G HN 0.519 nan 8.290 nan 0.000 0.584 517 P HA -0.181 nan 4.420 nan 0.000 0.214 517 P C 1.615 178.821 177.300 -0.157 0.000 1.169 517 P CA 1.409 64.221 63.100 -0.479 0.000 0.908 517 P CB -0.035 30.947 31.700 -1.196 0.000 0.791 518 F N -0.607 119.321 119.950 -0.036 0.000 2.134 518 F HA -0.135 4.390 4.527 -0.003 0.000 0.299 518 F C 2.522 178.528 175.800 0.343 0.000 1.097 518 F CA 1.347 59.364 58.000 0.028 0.000 1.264 518 F CB -0.921 37.941 39.000 -0.230 0.000 1.001 518 F HN -0.212 nan 8.300 nan 0.000 0.479 519 R N 0.095 120.865 120.500 0.451 0.000 2.091 519 R HA -0.130 4.209 4.340 -0.003 0.000 0.238 519 R C 2.232 178.677 176.300 0.241 0.000 1.136 519 R CA 1.518 57.776 56.100 0.263 0.000 0.959 519 R CB -1.033 29.242 30.300 -0.041 0.000 0.856 519 R HN 0.219 nan 8.270 nan 0.000 0.437 520 V N 0.376 120.418 119.914 0.214 0.000 2.261 520 V HA -0.261 3.858 4.120 -0.003 0.000 0.246 520 V C 2.465 178.711 176.094 0.253 0.000 1.047 520 V CA 2.018 64.447 62.300 0.215 0.000 1.015 520 V CB -0.544 31.413 31.823 0.224 0.000 0.642 520 V HN 0.350 nan 8.190 nan 0.000 0.446 521 S N -0.390 115.495 115.700 0.309 0.000 2.372 521 S HA -0.300 4.169 4.470 -0.003 0.000 0.227 521 S C 1.765 176.573 174.600 0.346 0.000 1.044 521 S CA 2.197 60.572 58.200 0.291 0.000 1.050 521 S CB -0.527 62.887 63.200 0.356 0.000 0.901 521 S HN 0.668 nan 8.310 nan 0.000 0.447 522 D N 0.678 121.353 120.400 0.458 0.000 2.144 522 D HA -0.041 4.598 4.640 -0.003 0.000 0.199 522 D C 1.900 178.310 176.300 0.184 0.000 0.984 522 D CA 0.577 54.801 54.000 0.374 0.000 0.834 522 D CB -0.277 40.854 40.800 0.553 0.000 0.955 522 D HN 0.277 nan 8.370 nan 0.000 0.465 523 L N 0.322 121.648 121.223 0.171 0.000 2.093 523 L HA -0.035 4.303 4.340 -0.003 0.000 0.208 523 L C 2.202 179.119 176.870 0.079 0.000 1.085 523 L CA 1.061 55.954 54.840 0.088 0.000 0.755 523 L CB -0.949 41.166 42.059 0.094 0.000 0.904 523 L HN -0.022 nan 8.230 nan 0.000 0.435 524 A N -0.673 122.214 122.820 0.112 0.000 2.067 524 A HA 0.217 4.536 4.320 -0.003 0.000 0.219 524 A C 1.227 178.860 177.584 0.081 0.000 1.158 524 A CA 0.947 53.041 52.037 0.095 0.000 0.661 524 A CB -0.550 18.516 19.000 0.109 0.000 0.801 524 A HN 0.532 nan 8.150 nan 0.000 0.452 525 G N -1.516 107.342 108.800 0.097 0.000 2.999 525 G HA2 -0.121 3.837 3.960 -0.003 0.000 0.686 525 G HA3 -0.121 3.837 3.960 -0.003 0.000 0.686 525 G C 0.194 175.179 174.900 0.141 0.000 1.057 525 G CA -0.199 44.962 45.100 0.101 0.000 0.784 525 G HN 0.522 nan 8.290 nan 0.000 0.575 526 L N 1.447 122.781 121.223 0.186 0.000 2.395 526 L HA 0.052 4.390 4.340 -0.003 0.000 0.218 526 L C 2.601 179.626 176.870 0.259 0.000 1.130 526 L CA 1.182 56.139 54.840 0.195 0.000 0.826 526 L CB -0.429 41.680 42.059 0.083 0.000 0.941 526 L HN 0.816 nan 8.230 nan 0.000 0.451 527 D N 0.243 120.788 120.400 0.242 0.000 2.144 527 D HA -0.179 4.460 4.640 -0.003 0.000 0.200 527 D C 2.162 178.580 176.300 0.196 0.000 0.978 527 D CA 0.956 55.104 54.000 0.247 0.000 0.833 527 D CB -0.705 39.965 40.800 -0.218 0.000 0.961 527 D HN 0.182 nan 8.370 nan 0.000 0.470 528 V N 1.557 121.538 119.914 0.110 0.000 2.282 528 V HA -0.179 3.940 4.120 -0.003 0.000 0.249 528 V C 2.446 178.615 176.094 0.126 0.000 1.057 528 V CA 2.841 65.194 62.300 0.089 0.000 1.032 528 V CB -0.939 30.924 31.823 0.067 0.000 0.645 528 V HN 0.374 nan 8.190 nan 0.000 0.447 529 G N -1.786 107.111 108.800 0.161 0.000 2.418 529 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.217 529 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.217 529 G C 1.336 176.391 174.900 0.257 0.000 1.158 529 G CA 0.841 46.049 45.100 0.180 0.000 0.771 529 G HN 0.673 nan 8.290 nan 0.000 0.545 530 W N 1.586 122.932 121.300 0.076 0.000 2.333 530 W HA -0.036 4.622 4.660 -0.003 0.000 0.316 530 W C 2.553 179.108 176.519 0.061 0.000 1.215 530 W CA 1.547 58.940 57.345 0.079 0.000 1.278 530 W CB -0.369 29.147 29.460 0.093 0.000 1.154 530 W HN 0.093 nan 8.180 nan 0.000 0.486 531 K N -0.143 120.263 120.400 0.011 0.000 2.032 531 K HA -0.228 4.090 4.320 -0.003 0.000 0.209 531 K C 2.086 178.651 176.600 -0.058 0.000 1.048 531 K CA 2.245 58.442 56.287 -0.150 0.000 0.927 531 K CB -0.807 31.635 32.500 -0.096 0.000 0.712 531 K HN 0.233 nan 8.250 nan 0.000 0.441 532 I N 0.797 121.390 120.570 0.038 0.000 2.118 532 I HA -0.364 3.804 4.170 -0.003 0.000 0.241 532 I C 2.502 178.660 176.117 0.069 0.000 1.070 532 I CA 1.510 62.853 61.300 0.072 0.000 1.327 532 I CB -0.243 37.829 38.000 0.121 0.000 1.034 532 I HN 0.188 nan 8.210 nan 0.000 0.405 533 R N 0.567 121.130 120.500 0.105 0.000 2.096 533 R HA -0.169 4.170 4.340 -0.003 0.000 0.235 533 R C 2.294 178.613 176.300 0.033 0.000 1.127 533 R CA 1.220 57.386 56.100 0.111 0.000 0.968 533 R CB -0.295 30.141 30.300 0.226 0.000 0.861 533 R HN 0.389 nan 8.270 nan 0.000 0.440 534 K N -0.161 120.219 120.400 -0.033 0.000 2.097 534 K HA -0.106 4.212 4.320 -0.003 0.000 0.206 534 K C 2.166 178.721 176.600 -0.076 0.000 1.049 534 K CA 1.339 57.567 56.287 -0.099 0.000 0.933 534 K CB -0.294 32.058 32.500 -0.247 0.000 0.717 534 K HN 0.289 nan 8.250 nan 0.000 0.442 535 G N 1.320 110.084 108.800 -0.061 0.000 2.459 535 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.217 535 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.217 535 G C 1.117 175.988 174.900 -0.048 0.000 1.183 535 G CA 0.592 45.664 45.100 -0.046 0.000 0.776 535 G HN 0.354 nan 8.290 nan 0.000 0.552 536 Q N 0.250 120.022 119.800 -0.045 0.000 2.515 536 Q HA 0.281 4.620 4.340 -0.003 0.000 0.214 536 Q C 1.603 177.559 176.000 -0.072 0.000 0.971 536 Q CA 0.293 56.050 55.803 -0.076 0.000 0.952 536 Q CB -0.065 28.621 28.738 -0.087 0.000 0.999 536 Q HN 0.542 nan 8.270 nan 0.000 0.524 537 G N 0.497 109.261 108.800 -0.060 0.000 2.198 537 G HA2 -0.280 3.679 3.960 -0.003 0.000 0.260 537 G HA3 -0.280 3.679 3.960 -0.003 0.000 0.260 537 G C 0.462 175.318 174.900 -0.073 0.000 1.025 537 G CA 0.318 45.383 45.100 -0.059 0.000 0.769 537 G HN 0.430 nan 8.290 nan 0.000 0.507 538 L N -1.483 119.693 121.223 -0.079 0.000 2.463 538 L HA 0.264 4.602 4.340 -0.003 0.000 0.219 538 L C 2.323 179.124 176.870 -0.115 0.000 1.088 538 L CA 1.563 56.310 54.840 -0.156 0.000 0.849 538 L CB 0.426 42.369 42.059 -0.193 0.000 1.012 538 L HN 0.376 nan 8.230 nan 0.000 0.468 539 T N -1.699 112.859 114.554 0.007 0.000 3.100 539 T HA 0.207 4.555 4.350 -0.003 0.000 0.255 539 T C 1.001 175.760 174.700 0.099 0.000 0.893 539 T CA 0.424 62.587 62.100 0.107 0.000 0.882 539 T CB 0.120 69.154 68.868 0.276 0.000 1.266 539 T HN 0.246 nan 8.240 nan 0.000 0.528 540 G N 1.869 110.684 108.800 0.026 0.000 2.466 540 G HA2 0.278 4.236 3.960 -0.003 0.000 0.279 540 G HA3 0.278 4.236 3.960 -0.003 0.000 0.279 540 G C -1.577 173.332 174.900 0.015 0.000 1.410 540 G CA -0.327 44.768 45.100 -0.008 0.000 1.065 540 G HN 0.236 nan 8.290 nan 0.000 0.547 541 P HA 0.077 nan 4.420 nan 0.000 0.242 541 P C 1.179 178.477 177.300 -0.003 0.000 1.197 541 P CA 0.827 63.931 63.100 0.007 0.000 0.765 541 P CB 0.286 31.986 31.700 -0.001 0.000 0.936 542 S N -1.352 114.338 115.700 -0.016 0.000 2.618 542 S HA 0.154 4.622 4.470 -0.003 0.000 0.242 542 S C 0.397 174.987 174.600 -0.017 0.000 0.972 542 S CA -0.439 57.748 58.200 -0.021 0.000 1.004 542 S CB -0.774 62.405 63.200 -0.035 0.000 0.778 542 S HN 0.099 nan 8.310 nan 0.000 0.459 543 L N 3.107 124.327 121.223 -0.005 0.000 2.268 543 L HA 0.388 4.726 4.340 -0.003 0.000 0.289 543 L C -2.286 174.583 176.870 -0.001 0.000 1.064 543 L CA -2.222 52.615 54.840 -0.005 0.000 0.824 543 L CB 0.626 42.694 42.059 0.015 0.000 1.202 543 L HN 0.090 nan 8.230 nan 0.000 0.433 544 P HA -0.092 nan 4.420 nan 0.000 0.262 544 P C -2.373 174.930 177.300 0.006 0.000 1.151 544 P CA -0.525 62.573 63.100 -0.004 0.000 0.757 544 P CB -0.364 31.330 31.700 -0.010 0.000 0.754 545 P HA -0.033 nan 4.420 nan 0.000 0.256 545 P C 0.775 178.087 177.300 0.020 0.000 1.173 545 P CA 1.158 64.267 63.100 0.015 0.000 0.768 545 P CB -0.099 31.608 31.700 0.012 0.000 0.758 546 G N 2.593 111.410 108.800 0.028 0.000 2.338 546 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.296 546 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.296 546 G C 0.214 175.137 174.900 0.038 0.000 1.040 546 G CA -0.101 45.020 45.100 0.036 0.000 1.004 546 G HN 0.566 nan 8.290 nan 0.000 0.509 547 T N 1.668 116.244 114.554 0.037 0.000 2.901 547 T HA 0.440 4.788 4.350 -0.003 0.000 0.301 547 T C -1.271 173.465 174.700 0.061 0.000 1.012 547 T CA -0.296 61.826 62.100 0.037 0.000 1.135 547 T CB 1.094 69.973 68.868 0.017 0.000 0.936 547 T HN 0.292 nan 8.240 nan 0.000 0.539 548 P HA 0.088 nan 4.420 nan 0.000 0.269 548 P C 1.124 178.496 177.300 0.121 0.000 1.209 548 P CA -0.470 62.685 63.100 0.092 0.000 0.776 548 P CB 0.421 32.171 31.700 0.085 0.000 0.876 549 V N 2.246 122.249 119.914 0.149 0.000 2.594 549 V HA -0.109 4.010 4.120 -0.003 0.000 0.253 549 V C 1.071 177.286 176.094 0.201 0.000 1.069 549 V CA 1.534 63.943 62.300 0.181 0.000 1.082 549 V CB -0.650 31.309 31.823 0.227 0.000 0.680 549 V HN 0.452 nan 8.190 nan 0.000 0.469 550 R N 0.018 120.607 120.500 0.148 0.000 2.700 550 R HA 0.471 4.809 4.340 -0.003 0.000 0.399 550 R C -0.246 176.177 176.300 0.205 0.000 1.115 550 R CA -0.139 56.060 56.100 0.165 0.000 1.058 550 R CB 0.413 30.719 30.300 0.010 0.000 1.389 550 R HN 0.523 nan 8.270 nan 0.000 0.582 551 K N 0.265 120.794 120.400 0.214 0.000 2.546 551 K HA 0.364 4.682 4.320 -0.003 0.000 0.264 551 K C -1.382 175.290 176.600 0.119 0.000 0.937 551 K CA -0.795 55.594 56.287 0.170 0.000 0.833 551 K CB 1.445 34.008 32.500 0.106 0.000 1.378 551 K HN -0.132 nan 8.250 nan 0.000 0.432 552 R N 2.554 123.112 120.500 0.097 0.000 2.521 552 R HA 0.336 4.674 4.340 -0.003 0.000 0.295 552 R C 0.163 176.483 176.300 0.032 0.000 1.183 552 R CA 0.067 56.173 56.100 0.011 0.000 0.957 552 R CB 0.894 31.142 30.300 -0.086 0.000 1.171 552 R HN 0.988 nan 8.270 nan 0.000 0.494 553 G N 3.739 112.553 108.800 0.023 0.000 2.634 553 G HA2 -0.470 3.488 3.960 -0.003 0.000 0.318 553 G HA3 -0.470 3.488 3.960 -0.003 0.000 0.318 553 G C 0.747 175.675 174.900 0.048 0.000 1.207 553 G CA 0.882 45.999 45.100 0.029 0.000 0.987 553 G HN 0.558 nan 8.290 nan 0.000 0.547 554 N N 0.795 119.527 118.700 0.054 0.000 2.422 554 N HA 0.355 5.093 4.740 -0.003 0.000 0.181 554 N C 0.586 176.148 175.510 0.086 0.000 1.080 554 N CA 1.111 54.200 53.050 0.065 0.000 0.893 554 N CB 0.514 39.038 38.487 0.062 0.000 0.973 554 N HN 0.499 nan 8.380 nan 0.000 0.456 555 S N 0.200 115.962 115.700 0.103 0.000 2.454 555 S HA 0.327 4.795 4.470 -0.003 0.000 0.306 555 S C -0.258 174.445 174.600 0.171 0.000 1.100 555 S CA -0.939 57.344 58.200 0.139 0.000 1.087 555 S CB 0.883 64.184 63.200 0.168 0.000 1.019 555 S HN 0.186 nan 8.310 nan 0.000 0.480 556 R N 2.625 123.210 120.500 0.142 0.000 2.697 556 R HA 0.065 4.403 4.340 -0.003 0.000 0.265 556 R C -1.320 175.220 176.300 0.400 0.000 1.009 556 R CA 0.438 56.633 56.100 0.158 0.000 1.099 556 R CB 0.202 30.454 30.300 -0.080 0.000 0.965 556 R HN 0.695 nan 8.270 nan 0.000 0.428 557 Y N 1.362 121.834 120.300 0.287 0.000 2.524 557 Y HA 0.319 4.867 4.550 -0.003 0.000 0.347 557 Y C -1.233 174.878 175.900 0.353 0.000 1.005 557 Y CA -0.715 57.582 58.100 0.328 0.000 1.025 557 Y CB 2.282 40.857 38.460 0.192 0.000 1.275 557 Y HN 0.585 nan 8.280 nan 0.000 0.460 558 S N 6.186 121.587 115.700 -0.498 0.000 2.669 558 S HA 0.443 4.911 4.470 -0.003 0.000 0.315 558 S C -2.521 171.615 174.600 -0.773 0.000 1.106 558 S CA -1.659 56.300 58.200 -0.402 0.000 1.107 558 S CB 0.900 63.996 63.200 -0.173 0.000 0.990 558 S HN 0.546 nan 8.310 nan 0.000 0.471 559 P HA 0.198 nan 4.420 nan 0.000 0.255 559 P C 1.105 178.244 177.300 -0.269 0.000 1.357 559 P CA -0.114 62.838 63.100 -0.247 0.000 0.839 559 P CB 0.001 31.736 31.700 0.058 0.000 1.356 560 L N -0.365 120.627 121.223 -0.386 0.000 2.012 560 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 560 L C 2.666 179.384 176.870 -0.252 0.000 1.073 560 L CA 2.132 56.821 54.840 -0.251 0.000 0.748 560 L CB -1.517 40.492 42.059 -0.084 0.000 0.891 560 L HN 0.119 nan 8.230 nan 0.000 0.431 561 G N -0.436 108.147 108.800 -0.361 0.000 2.418 561 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.217 561 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.217 561 G C 1.096 175.788 174.900 -0.346 0.000 1.158 561 G CA 0.939 45.845 45.100 -0.323 0.000 0.771 561 G HN 0.322 nan 8.290 nan 0.000 0.545 562 D N 0.730 120.994 120.400 -0.228 0.000 2.106 562 D HA -0.151 4.487 4.640 -0.003 0.000 0.191 562 D C 2.605 178.692 176.300 -0.355 0.000 0.997 562 D CA 1.158 55.023 54.000 -0.224 0.000 0.834 562 D CB -0.446 40.410 40.800 0.094 0.000 0.956 562 D HN 0.327 nan 8.370 nan 0.000 0.448 563 M N 0.078 119.556 119.600 -0.204 0.000 2.080 563 M HA -0.126 4.352 4.480 -0.003 0.000 0.260 563 M C 2.466 178.547 176.300 -0.365 0.000 1.068 563 M CA 1.084 56.297 55.300 -0.146 0.000 1.109 563 M CB -0.333 32.340 32.600 0.121 0.000 1.342 563 M HN -0.009 nan 8.290 nan 0.000 0.405 564 L N -0.620 120.315 121.223 -0.479 0.000 2.043 564 L HA -0.313 4.025 4.340 -0.003 0.000 0.212 564 L C 2.625 179.027 176.870 -0.780 0.000 1.075 564 L CA 1.318 55.746 54.840 -0.687 0.000 0.752 564 L CB -0.707 40.864 42.059 -0.812 0.000 0.891 564 L HN 0.509 nan 8.230 nan 0.000 0.432 565 C N -0.023 118.772 119.300 -0.842 0.000 2.462 565 C HA -0.144 4.315 4.460 -0.003 0.000 0.278 565 C C 2.342 176.700 174.990 -1.052 0.000 1.253 565 C CA 0.455 58.797 59.018 -1.127 0.000 1.713 565 C CB -0.755 25.957 27.740 -1.714 0.000 2.049 565 C HN 0.481 nan 8.230 nan 0.000 0.477 566 E N 0.487 120.214 120.200 -0.788 0.000 2.526 566 E HA -0.058 4.290 4.350 -0.003 0.000 0.205 566 E C 1.157 177.570 176.600 -0.311 0.000 1.104 566 E CA 0.671 56.857 56.400 -0.357 0.000 0.899 566 E CB -0.093 29.518 29.700 -0.148 0.000 0.838 566 E HN 0.693 nan 8.360 nan 0.000 0.564 567 A N -0.638 121.887 122.820 -0.491 0.000 2.630 567 A HA 0.461 4.779 4.320 -0.003 0.000 0.287 567 A C 1.243 178.462 177.584 -0.608 0.000 1.040 567 A CA 0.169 51.930 52.037 -0.461 0.000 0.971 567 A CB 0.281 19.003 19.000 -0.463 0.000 1.241 567 A HN 0.208 nan 8.150 nan 0.000 0.558 568 G N 0.292 108.610 108.800 -0.804 0.000 2.153 568 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.252 568 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.252 568 G C 0.167 174.477 174.900 -0.983 0.000 0.994 568 G CA 0.390 44.940 45.100 -0.916 0.000 0.698 568 G HN 0.611 nan 8.290 nan 0.000 0.521 569 R N -0.454 119.430 120.500 -1.027 0.000 2.235 569 R HA 0.519 4.857 4.340 -0.003 0.000 0.338 569 R C 0.159 176.002 176.300 -0.762 0.000 1.087 569 R CA -0.533 55.104 56.100 -0.772 0.000 0.948 569 R CB 0.098 29.949 30.300 -0.749 0.000 1.099 569 R HN 0.159 nan 8.270 nan 0.000 0.483 570 F N 0.664 120.481 119.950 -0.221 0.000 2.706 570 F HA 0.320 4.846 4.527 -0.003 0.000 0.308 570 F C 1.487 177.228 175.800 -0.098 0.000 1.095 570 F CA 0.218 58.125 58.000 -0.156 0.000 1.244 570 F CB 0.924 39.873 39.000 -0.085 0.000 1.063 570 F HN 0.780 nan 8.300 nan 0.000 0.582 571 G N 0.069 108.892 108.800 0.038 0.000 2.301 571 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.194 571 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.194 571 G C 0.404 175.231 174.900 -0.123 0.000 1.266 571 G CA -0.042 45.087 45.100 0.048 0.000 1.210 571 G HN 0.013 nan 8.290 nan 0.000 0.524 572 Q N 0.659 120.283 119.800 -0.294 0.000 2.291 572 Q HA -0.080 4.258 4.340 -0.003 0.000 0.205 572 Q C 2.493 178.316 176.000 -0.296 0.000 0.970 572 Q CA 1.984 57.404 55.803 -0.638 0.000 0.876 572 Q CB -0.201 28.222 28.738 -0.525 0.000 0.935 572 Q HN 0.679 nan 8.270 nan 0.000 0.455 573 K N -0.639 119.686 120.400 -0.125 0.000 2.228 573 K HA -0.027 4.292 4.320 -0.003 0.000 0.202 573 K C 1.606 178.194 176.600 -0.020 0.000 1.051 573 K CA 1.555 57.809 56.287 -0.054 0.000 0.960 573 K CB -0.147 32.343 32.500 -0.016 0.000 0.743 573 K HN 0.073 nan 8.250 nan 0.000 0.458 574 T N -3.613 110.940 114.554 -0.002 0.000 3.086 574 T HA 0.301 4.650 4.350 -0.003 0.000 0.250 574 T C 1.380 176.066 174.700 -0.023 0.000 1.074 574 T CA 0.266 62.371 62.100 0.009 0.000 0.988 574 T CB 0.416 69.310 68.868 0.044 0.000 0.988 574 T HN 0.463 nan 8.240 nan 0.000 0.530 575 G N 0.793 109.568 108.800 -0.042 0.000 2.176 575 G HA2 -0.219 3.740 3.960 -0.003 0.000 0.253 575 G HA3 -0.219 3.740 3.960 -0.003 0.000 0.253 575 G C -0.097 174.897 174.900 0.156 0.000 0.979 575 G CA 0.248 45.370 45.100 0.036 0.000 0.641 575 G HN 0.751 nan 8.290 nan 0.000 0.530 576 K N -1.171 119.271 120.400 0.071 0.000 2.543 576 K HA 0.602 4.920 4.320 -0.003 0.000 0.255 576 K C 0.523 177.109 176.600 -0.023 0.000 0.934 576 K CA -0.109 56.218 56.287 0.066 0.000 0.810 576 K CB 1.729 34.157 32.500 -0.119 0.000 1.315 576 K HN 0.520 nan 8.250 nan 0.000 0.433 577 G N 0.755 109.588 108.800 0.054 0.000 3.517 577 G HA2 0.077 4.035 3.960 -0.003 0.000 0.173 577 G HA3 0.077 4.035 3.960 -0.003 0.000 0.173 577 G C -0.369 174.437 174.900 -0.156 0.000 1.340 577 G CA -0.274 44.776 45.100 -0.083 0.000 1.228 577 G HN 0.631 nan 8.290 nan 0.000 0.745 578 W N 0.219 121.618 121.300 0.164 0.000 2.526 578 W HA 0.406 5.065 4.660 -0.002 0.000 0.294 578 W C 0.917 177.371 176.519 -0.109 0.000 1.181 578 W CA 0.243 57.596 57.345 0.014 0.000 1.373 578 W CB -0.022 29.449 29.460 0.018 0.000 1.112 578 W HN 0.155 nan 8.180 nan 0.000 0.545 579 Y N 0.693 121.215 120.300 0.370 0.000 2.518 579 Y HA 0.297 4.845 4.550 -0.003 0.000 0.332 579 Y C 0.528 176.451 175.900 0.039 0.000 1.276 579 Y CA -0.993 57.187 58.100 0.133 0.000 1.418 579 Y CB 0.123 38.607 38.460 0.040 0.000 1.527 579 Y HN -0.151 nan 8.280 nan 0.000 0.549 580 Q N -0.615 119.201 119.800 0.027 0.000 2.433 580 Q HA 0.655 4.993 4.340 -0.003 0.000 0.279 580 Q C -2.186 173.677 176.000 -0.228 0.000 1.105 580 Q CA -0.971 54.847 55.803 0.026 0.000 0.815 580 Q CB 2.304 31.068 28.738 0.044 0.000 1.403 580 Q HN 0.572 nan 8.270 nan 0.000 0.435 581 Y N 0.154 120.509 120.300 0.091 0.000 2.602 581 Y HA 0.186 4.734 4.550 -0.003 0.000 0.342 581 Y C 0.660 176.589 175.900 0.048 0.000 1.029 581 Y CA -0.870 57.280 58.100 0.083 0.000 1.080 581 Y CB 1.354 39.865 38.460 0.086 0.000 1.284 581 Y HN 0.866 nan 8.280 nan 0.000 0.485 582 D N 0.401 120.914 120.400 0.189 0.000 2.182 582 D HA -0.147 4.491 4.640 -0.003 0.000 0.201 582 D C 0.024 176.380 176.300 0.094 0.000 0.986 582 D CA 1.538 55.602 54.000 0.107 0.000 0.847 582 D CB 0.430 41.281 40.800 0.084 0.000 0.942 582 D HN 0.689 nan 8.370 nan 0.000 0.467 583 K N -1.271 119.199 120.400 0.116 0.000 2.617 583 K HA 0.500 4.819 4.320 -0.003 0.000 0.293 583 K C -3.412 173.226 176.600 0.063 0.000 1.034 583 K CA -1.615 54.715 56.287 0.071 0.000 0.884 583 K CB 1.187 33.715 32.500 0.046 0.000 1.541 583 K HN -0.319 nan 8.250 nan 0.000 0.409 584 P HA 0.207 nan 4.420 nan 0.000 0.276 584 P C -0.581 176.705 177.300 -0.022 0.000 1.230 584 P CA -0.187 62.906 63.100 -0.013 0.000 0.776 584 P CB 0.333 32.026 31.700 -0.011 0.000 0.888 585 L N 0.550 121.734 121.223 -0.066 0.000 4.560 585 L HA -0.157 4.182 4.340 -0.003 0.000 0.415 585 L C 0.949 177.811 176.870 -0.014 0.000 1.123 585 L CA 1.499 56.308 54.840 -0.052 0.000 0.991 585 L CB -2.511 39.533 42.059 -0.025 0.000 2.127 585 L HN 0.586 nan 8.230 nan 0.000 0.765 586 G N -0.990 107.818 108.800 0.013 0.000 2.562 586 G HA2 0.492 4.450 3.960 -0.003 0.000 0.275 586 G HA3 0.492 4.450 3.960 -0.003 0.000 0.275 586 G C 0.932 175.917 174.900 0.141 0.000 1.196 586 G CA -0.159 44.995 45.100 0.089 0.000 0.908 586 G HN 0.296 nan 8.290 nan 0.000 0.524 587 R N -0.762 119.826 120.500 0.147 0.000 2.195 587 R HA 0.199 4.537 4.340 -0.003 0.000 0.197 587 R C 0.532 176.952 176.300 0.199 0.000 0.990 587 R CA 0.141 56.330 56.100 0.149 0.000 1.048 587 R CB 0.235 30.590 30.300 0.092 0.000 0.997 587 R HN 0.392 nan 8.270 nan 0.000 0.502 588 I N 3.184 123.859 120.570 0.174 0.000 2.308 588 I HA 0.075 4.244 4.170 -0.003 0.000 0.293 588 I C -0.089 176.081 176.117 0.088 0.000 1.078 588 I CA -0.479 60.892 61.300 0.119 0.000 1.292 588 I CB 0.268 38.300 38.000 0.053 0.000 1.423 588 I HN 0.220 nan 8.210 nan 0.000 0.493 589 H N 6.287 125.276 119.070 -0.135 0.000 2.467 589 H HA 0.656 5.210 4.556 -0.003 0.000 0.331 589 H C -1.047 174.098 175.328 -0.306 0.000 1.120 589 H CA -0.945 54.825 56.048 -0.463 0.000 1.270 589 H CB 1.503 30.904 29.762 -0.602 0.000 1.466 589 H HN 0.351 nan 8.280 nan 0.000 0.504 590 K N 3.303 123.482 120.400 -0.368 0.000 2.477 590 K HA 0.305 4.624 4.320 -0.003 0.000 0.255 590 K C -3.004 173.644 176.600 0.080 0.000 0.952 590 K CA -2.173 53.992 56.287 -0.204 0.000 0.826 590 K CB 2.247 34.677 32.500 -0.117 0.000 1.331 590 K HN 0.519 nan 8.250 nan 0.000 0.437 591 P HA 0.018 nan 4.420 nan 0.000 0.269 591 P C -0.876 176.475 177.300 0.086 0.000 1.209 591 P CA 0.086 63.281 63.100 0.158 0.000 0.776 591 P CB 0.500 32.254 31.700 0.089 0.000 0.876 592 D N 2.584 123.034 120.400 0.084 0.000 2.308 592 D HA 0.234 4.872 4.640 -0.003 0.000 0.242 592 D C -1.793 174.575 176.300 0.115 0.000 1.059 592 D CA -2.454 51.609 54.000 0.104 0.000 0.830 592 D CB 1.295 42.175 40.800 0.133 0.000 1.161 592 D HN 0.033 nan 8.370 nan 0.000 0.494 593 P HA -0.065 nan 4.420 nan 0.000 0.216 593 P C 1.363 178.732 177.300 0.116 0.000 1.150 593 P CA 0.704 63.855 63.100 0.086 0.000 0.837 593 P CB 0.061 31.804 31.700 0.072 0.000 0.786 594 W N 0.336 121.635 121.300 -0.001 0.000 2.308 594 W HA -0.229 4.429 4.660 -0.003 0.000 0.301 594 W C 1.940 178.487 176.519 0.047 0.000 1.220 594 W CA 1.221 58.564 57.345 -0.003 0.000 1.240 594 W CB -0.884 28.545 29.460 -0.053 0.000 1.142 594 W HN -0.134 nan 8.180 nan 0.000 0.521 595 L N 0.452 121.821 121.223 0.244 0.000 2.072 595 L HA -0.130 4.208 4.340 -0.003 0.000 0.205 595 L C 2.559 179.458 176.870 0.048 0.000 1.079 595 L CA 2.471 57.432 54.840 0.202 0.000 0.752 595 L CB -1.097 41.123 42.059 0.268 0.000 0.906 595 L HN -0.125 nan 8.230 nan 0.000 0.436 596 S N -0.767 114.938 115.700 0.009 0.000 2.359 596 S HA -0.230 4.238 4.470 -0.003 0.000 0.223 596 S C 1.794 176.344 174.600 -0.084 0.000 1.039 596 S CA 1.996 60.176 58.200 -0.033 0.000 1.042 596 S CB -0.935 62.252 63.200 -0.022 0.000 0.915 596 S HN 0.642 nan 8.310 nan 0.000 0.439 597 T N 1.838 116.317 114.554 -0.125 0.000 2.788 597 T HA -0.084 4.265 4.350 -0.003 0.000 0.268 597 T C 1.485 176.038 174.700 -0.246 0.000 1.044 597 T CA 1.260 63.251 62.100 -0.183 0.000 1.139 597 T CB -0.539 68.200 68.868 -0.215 0.000 0.867 597 T HN 0.380 nan 8.240 nan 0.000 0.454 598 F N 2.107 121.714 119.950 -0.572 0.000 2.075 598 F HA -0.009 4.517 4.527 -0.003 0.000 0.297 598 F C 1.870 177.517 175.800 -0.256 0.000 1.113 598 F CA 0.730 58.350 58.000 -0.633 0.000 1.218 598 F CB -0.699 37.668 39.000 -1.055 0.000 0.984 598 F HN -0.046 nan 8.300 nan 0.000 0.472 599 L N 0.193 121.202 121.223 -0.357 0.000 1.989 599 L HA -0.203 4.136 4.340 -0.003 0.000 0.211 599 L C 2.669 179.446 176.870 -0.155 0.000 1.071 599 L CA 1.877 56.545 54.840 -0.287 0.000 0.749 599 L CB -1.849 40.140 42.059 -0.116 0.000 0.890 599 L HN 0.179 nan 8.230 nan 0.000 0.431 600 S N -0.043 115.580 115.700 -0.128 0.000 2.414 600 S HA -0.342 4.127 4.470 -0.003 0.000 0.238 600 S C 1.791 176.330 174.600 -0.101 0.000 1.055 600 S CA 2.232 60.374 58.200 -0.096 0.000 1.174 600 S CB -0.451 62.694 63.200 -0.092 0.000 1.087 600 S HN 0.709 nan 8.310 nan 0.000 0.428 601 Q N -0.137 119.594 119.800 -0.116 0.000 2.167 601 Q HA -0.143 4.195 4.340 -0.003 0.000 0.202 601 Q C 1.903 177.844 176.000 -0.098 0.000 0.970 601 Q CA 1.781 57.523 55.803 -0.103 0.000 0.855 601 Q CB -0.758 27.926 28.738 -0.089 0.000 0.911 601 Q HN 0.666 nan 8.270 nan 0.000 0.438 602 Y N 1.648 121.805 120.300 -0.238 0.000 2.165 602 Y HA -0.170 4.379 4.550 -0.003 0.000 0.286 602 Y C 1.958 177.815 175.900 -0.072 0.000 1.155 602 Y CA 1.858 59.847 58.100 -0.186 0.000 1.164 602 Y CB 0.034 38.264 38.460 -0.384 0.000 0.978 602 Y HN 0.026 nan 8.280 nan 0.000 0.513 603 R N 0.025 120.413 120.500 -0.187 0.000 2.062 603 R HA -0.126 4.213 4.340 -0.003 0.000 0.229 603 R C 2.230 178.404 176.300 -0.209 0.000 1.128 603 R CA 1.534 57.510 56.100 -0.206 0.000 0.960 603 R CB -0.439 29.808 30.300 -0.089 0.000 0.855 603 R HN 0.440 nan 8.270 nan 0.000 0.432 604 E N 0.456 120.549 120.200 -0.177 0.000 2.070 604 E HA -0.195 4.154 4.350 -0.003 0.000 0.197 604 E C 1.998 178.397 176.600 -0.334 0.000 1.004 604 E CA 1.622 57.910 56.400 -0.186 0.000 0.805 604 E CB -0.013 29.606 29.700 -0.134 0.000 0.744 604 E HN 0.088 nan 8.360 nan 0.000 0.451 605 V N 0.677 120.364 119.914 -0.378 0.000 2.626 605 V HA -0.191 3.927 4.120 -0.003 0.000 0.252 605 V C 1.567 177.173 176.094 -0.814 0.000 1.067 605 V CA 1.513 63.490 62.300 -0.539 0.000 1.081 605 V CB -0.405 31.133 31.823 -0.476 0.000 0.686 605 V HN 0.337 nan 8.190 nan 0.000 0.468 606 H N -1.414 117.347 119.070 -0.514 0.000 2.594 606 H HA 0.226 4.780 4.556 -0.003 0.000 0.279 606 H C 0.328 175.475 175.328 -0.301 0.000 1.042 606 H CA 0.073 55.861 56.048 -0.433 0.000 1.177 606 H CB -0.049 29.442 29.762 -0.452 0.000 1.524 606 H HN 0.646 nan 8.280 nan 0.000 0.537 607 H N -0.277 118.750 119.070 -0.072 0.000 2.756 607 H HA -0.126 4.428 4.556 -0.003 0.000 0.315 607 H C -0.359 174.943 175.328 -0.044 0.000 1.210 607 H CA 0.335 56.351 56.048 -0.054 0.000 1.150 607 H CB -2.207 27.532 29.762 -0.039 0.000 1.463 607 H HN 0.325 nan 8.280 nan 0.000 0.427 608 I N 0.820 121.387 120.570 -0.004 0.000 2.321 608 I HA 0.114 4.282 4.170 -0.003 0.000 0.291 608 I C 0.773 176.888 176.117 -0.004 0.000 0.998 608 I CA -0.271 61.023 61.300 -0.011 0.000 1.227 608 I CB 1.353 39.321 38.000 -0.053 0.000 1.368 608 I HN 0.308 nan 8.210 nan 0.000 0.466 609 E N 6.036 126.242 120.200 0.009 0.000 2.257 609 E HA 0.008 4.356 4.350 -0.003 0.000 0.278 609 E C -0.122 176.482 176.600 0.006 0.000 1.049 609 E CA -0.437 55.968 56.400 0.008 0.000 0.876 609 E CB 0.729 30.435 29.700 0.010 0.000 1.035 609 E HN 0.426 nan 8.360 nan 0.000 0.419 610 Q N 4.779 124.579 119.800 0.001 0.000 2.613 610 Q HA 0.020 4.358 4.340 -0.003 0.000 0.228 610 Q C -0.611 175.392 176.000 0.005 0.000 1.318 610 Q CA 0.226 56.030 55.803 0.001 0.000 0.907 610 Q CB -0.092 28.642 28.738 -0.007 0.000 1.593 610 Q HN 0.415 nan 8.270 nan 0.000 0.559 611 R N 0.349 120.856 120.500 0.012 0.000 2.694 611 R HA 0.141 4.479 4.340 -0.003 0.000 0.268 611 R C 0.116 176.425 176.300 0.014 0.000 1.061 611 R CA 0.280 56.389 56.100 0.015 0.000 1.133 611 R CB 0.557 30.871 30.300 0.024 0.000 1.020 611 R HN 0.220 nan 8.270 nan 0.000 0.475 612 T N 3.596 118.159 114.554 0.015 0.000 2.749 612 T HA 0.331 4.679 4.350 -0.003 0.000 0.295 612 T C 0.218 174.930 174.700 0.021 0.000 0.936 612 T CA -0.216 61.893 62.100 0.014 0.000 1.060 612 T CB 0.221 69.097 68.868 0.013 0.000 0.904 612 T HN 0.292 nan 8.240 nan 0.000 0.500 613 I N 3.381 123.962 120.570 0.019 0.000 2.362 613 I HA 0.290 4.458 4.170 -0.003 0.000 0.289 613 I C 0.781 176.911 176.117 0.023 0.000 0.994 613 I CA -0.762 60.553 61.300 0.025 0.000 1.158 613 I CB 1.543 39.554 38.000 0.018 0.000 1.315 613 I HN 0.605 nan 8.210 nan 0.000 0.451 614 S N 5.523 121.243 115.700 0.033 0.000 2.584 614 S HA 0.212 4.681 4.470 -0.003 0.000 0.273 614 S C 1.163 175.779 174.600 0.026 0.000 1.311 614 S CA -0.719 57.501 58.200 0.033 0.000 1.034 614 S CB 1.795 65.022 63.200 0.044 0.000 0.939 614 S HN 0.699 nan 8.310 nan 0.000 0.513 615 K N 1.500 121.916 120.400 0.026 0.000 2.090 615 K HA -0.287 4.032 4.320 -0.003 0.000 0.218 615 K C 1.467 178.079 176.600 0.020 0.000 1.055 615 K CA 2.601 58.903 56.287 0.024 0.000 0.941 615 K CB -0.749 31.774 32.500 0.039 0.000 0.722 615 K HN 0.813 nan 8.250 nan 0.000 0.458 616 E N 0.539 120.764 120.200 0.041 0.000 2.051 616 E HA -0.164 4.184 4.350 -0.003 0.000 0.192 616 E C 2.033 178.655 176.600 0.037 0.000 0.991 616 E CA 1.574 58.004 56.400 0.050 0.000 0.799 616 E CB -0.221 29.529 29.700 0.083 0.000 0.748 616 E HN 0.509 nan 8.360 nan 0.000 0.449 617 E N 0.202 120.440 120.200 0.064 0.000 2.160 617 E HA -0.191 4.158 4.350 -0.003 0.000 0.195 617 E C 1.852 178.397 176.600 -0.092 0.000 0.991 617 E CA 0.886 57.322 56.400 0.060 0.000 0.810 617 E CB -0.048 29.718 29.700 0.110 0.000 0.742 617 E HN 0.243 nan 8.360 nan 0.000 0.466 618 I N 0.263 120.787 120.570 -0.076 0.000 2.086 618 I HA -0.266 3.902 4.170 -0.003 0.000 0.233 618 I C 2.493 178.501 176.117 -0.182 0.000 1.060 618 I CA 0.549 61.776 61.300 -0.121 0.000 1.326 618 I CB -0.445 37.507 38.000 -0.079 0.000 1.067 618 I HN 0.193 nan 8.210 nan 0.000 0.398 619 L N 0.998 122.127 121.223 -0.158 0.000 2.034 619 L HA -0.305 4.034 4.340 -0.003 0.000 0.217 619 L C 2.432 179.097 176.870 -0.342 0.000 1.077 619 L CA 2.048 56.752 54.840 -0.227 0.000 0.769 619 L CB -0.570 41.396 42.059 -0.155 0.000 0.890 619 L HN 0.244 nan 8.230 nan 0.000 0.435 620 E N -1.402 118.591 120.200 -0.346 0.000 2.107 620 E HA -0.172 4.176 4.350 -0.003 0.000 0.191 620 E C 2.319 178.568 176.600 -0.585 0.000 0.982 620 E CA 0.884 56.914 56.400 -0.616 0.000 0.809 620 E CB -0.034 29.523 29.700 -0.238 0.000 0.756 620 E HN 0.494 nan 8.360 nan 0.000 0.459 621 R N -0.063 120.141 120.500 -0.495 0.000 2.075 621 R HA -0.011 4.327 4.340 -0.003 0.000 0.226 621 R C 2.470 178.623 176.300 -0.244 0.000 1.114 621 R CA 0.919 56.738 56.100 -0.468 0.000 0.972 621 R CB -0.242 29.745 30.300 -0.522 0.000 0.869 621 R HN 0.208 nan 8.270 nan 0.000 0.437 622 C N 0.692 119.846 119.300 -0.244 0.000 2.453 622 C HA -0.030 4.428 4.460 -0.003 0.000 0.277 622 C C 2.561 177.552 174.990 0.003 0.000 1.262 622 C CA 0.612 59.530 59.018 -0.166 0.000 1.718 622 C CB -0.776 26.798 27.740 -0.277 0.000 2.031 622 C HN 0.424 nan 8.230 nan 0.000 0.480 623 L N -0.856 120.310 121.223 -0.095 0.000 2.095 623 L HA -0.085 4.253 4.340 -0.003 0.000 0.204 623 L C 2.491 179.473 176.870 0.187 0.000 1.080 623 L CA 1.419 56.261 54.840 0.003 0.000 0.759 623 L CB -0.684 41.281 42.059 -0.157 0.000 0.914 623 L HN 0.319 nan 8.230 nan 0.000 0.439 624 Y N 0.141 120.474 120.300 0.056 0.000 2.395 624 Y HA -0.109 4.440 4.550 -0.002 0.000 0.293 624 Y C 3.045 178.972 175.900 0.046 0.000 1.123 624 Y CA 0.461 58.611 58.100 0.082 0.000 1.227 624 Y CB -1.181 37.361 38.460 0.136 0.000 1.012 624 Y HN 0.269 nan 8.280 nan 0.000 0.552 625 S N 0.209 116.007 115.700 0.163 0.000 2.356 625 S HA -0.211 4.257 4.470 -0.003 0.000 0.223 625 S C 2.099 176.731 174.600 0.053 0.000 1.032 625 S CA 1.211 59.473 58.200 0.104 0.000 1.005 625 S CB -1.132 62.110 63.200 0.071 0.000 0.867 625 S HN 0.501 nan 8.310 nan 0.000 0.449 626 L N 0.889 122.126 121.223 0.024 0.000 2.017 626 L HA 0.007 4.345 4.340 -0.003 0.000 0.208 626 L C 2.481 179.248 176.870 -0.171 0.000 1.073 626 L CA 1.570 56.354 54.840 -0.094 0.000 0.745 626 L CB -0.367 41.608 42.059 -0.141 0.000 0.894 626 L HN 0.283 nan 8.230 nan 0.000 0.432 627 I N 0.290 120.789 120.570 -0.117 0.000 2.286 627 I HA -0.317 3.851 4.170 -0.003 0.000 0.248 627 I C 2.232 178.137 176.117 -0.353 0.000 1.115 627 I CA 1.343 62.473 61.300 -0.284 0.000 1.392 627 I CB -0.412 37.509 38.000 -0.132 0.000 1.065 627 I HN 0.407 nan 8.210 nan 0.000 0.418 628 N N 0.694 119.361 118.700 -0.055 0.000 2.104 628 N HA -0.248 4.491 4.740 -0.003 0.000 0.190 628 N C 1.785 177.313 175.510 0.030 0.000 1.024 628 N CA 1.423 54.524 53.050 0.086 0.000 0.853 628 N CB -0.057 38.500 38.487 0.116 0.000 1.008 628 N HN 0.196 nan 8.380 nan 0.000 0.424 629 E N -0.042 120.140 120.200 -0.031 0.000 2.106 629 E HA 0.057 4.405 4.350 -0.003 0.000 0.192 629 E C 1.718 178.268 176.600 -0.083 0.000 0.984 629 E CA 1.118 57.500 56.400 -0.031 0.000 0.806 629 E CB -0.459 29.227 29.700 -0.023 0.000 0.750 629 E HN 0.396 nan 8.360 nan 0.000 0.458 630 A N -0.373 122.325 122.820 -0.204 0.000 1.972 630 A HA -0.140 4.178 4.320 -0.003 0.000 0.219 630 A C 1.888 179.333 177.584 -0.233 0.000 1.169 630 A CA 1.212 53.094 52.037 -0.259 0.000 0.635 630 A CB -0.749 18.006 19.000 -0.409 0.000 0.810 630 A HN 0.301 nan 8.150 nan 0.000 0.446 631 F N -0.239 119.614 119.950 -0.161 0.000 2.146 631 F HA -0.022 4.504 4.527 -0.002 0.000 0.298 631 F C 2.440 178.077 175.800 -0.270 0.000 1.096 631 F CA 1.114 58.950 58.000 -0.273 0.000 1.275 631 F CB -0.703 38.210 39.000 -0.144 0.000 1.008 631 F HN 0.123 nan 8.300 nan 0.000 0.480 632 R N 0.326 120.860 120.500 0.057 0.000 2.094 632 R HA -0.196 4.142 4.340 -0.003 0.000 0.239 632 R C 2.300 178.592 176.300 -0.013 0.000 1.137 632 R CA 1.899 58.013 56.100 0.024 0.000 0.943 632 R CB -0.769 29.551 30.300 0.033 0.000 0.850 632 R HN 0.246 nan 8.270 nan 0.000 0.433 633 I N 0.818 121.374 120.570 -0.023 0.000 2.185 633 I HA -0.362 3.807 4.170 -0.003 0.000 0.246 633 I C 2.183 178.280 176.117 -0.033 0.000 1.088 633 I CA 1.488 62.783 61.300 -0.008 0.000 1.347 633 I CB -0.287 37.715 38.000 0.003 0.000 1.041 633 I HN 0.235 nan 8.210 nan 0.000 0.415 634 L N -0.058 121.080 121.223 -0.141 0.000 2.072 634 L HA -0.181 4.157 4.340 -0.003 0.000 0.205 634 L C 2.572 179.375 176.870 -0.112 0.000 1.079 634 L CA 1.000 55.717 54.840 -0.206 0.000 0.752 634 L CB -0.483 41.237 42.059 -0.566 0.000 0.906 634 L HN 0.171 nan 8.230 nan 0.000 0.436 635 E N 1.090 121.225 120.200 -0.108 0.000 2.097 635 E HA -0.263 4.085 4.350 -0.003 0.000 0.196 635 E C 1.682 178.315 176.600 0.055 0.000 1.000 635 E CA 1.628 58.078 56.400 0.084 0.000 0.804 635 E CB 0.019 29.774 29.700 0.091 0.000 0.740 635 E HN 0.444 nan 8.360 nan 0.000 0.454 636 E N -1.523 118.698 120.200 0.034 0.000 2.489 636 E HA 0.160 4.508 4.350 -0.003 0.000 0.193 636 E C 0.955 177.587 176.600 0.054 0.000 1.057 636 E CA 0.308 56.732 56.400 0.041 0.000 0.866 636 E CB 0.261 29.987 29.700 0.044 0.000 0.916 636 E HN 0.441 nan 8.360 nan 0.000 0.500 637 G N 1.504 110.340 108.800 0.061 0.000 2.189 637 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.267 637 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.267 637 G C 1.060 176.025 174.900 0.108 0.000 0.975 637 G CA 0.615 45.775 45.100 0.099 0.000 0.644 637 G HN 0.169 nan 8.290 nan 0.000 0.537 638 M N 0.140 119.793 119.600 0.090 0.000 2.530 638 M HA 0.296 4.774 4.480 -0.003 0.000 0.261 638 M C 1.347 177.716 176.300 0.116 0.000 1.067 638 M CA 1.279 56.641 55.300 0.104 0.000 1.071 638 M CB -1.199 31.461 32.600 0.100 0.000 1.405 638 M HN 1.032 nan 8.290 nan 0.000 0.478 639 A N -1.574 121.309 122.820 0.105 0.000 2.498 639 A HA 0.775 5.093 4.320 -0.003 0.000 0.298 639 A C 0.779 178.432 177.584 0.115 0.000 1.075 639 A CA -0.093 52.020 52.037 0.127 0.000 0.714 639 A CB 0.818 19.889 19.000 0.118 0.000 1.299 639 A HN 0.198 nan 8.150 nan 0.000 0.407 640 A N 0.877 123.767 122.820 0.116 0.000 1.930 640 A HA 0.380 4.698 4.320 -0.003 0.000 0.215 640 A C 1.007 178.564 177.584 -0.044 0.000 1.176 640 A CA 1.541 53.609 52.037 0.052 0.000 0.632 640 A CB -0.112 18.931 19.000 0.071 0.000 0.819 640 A HN 1.087 nan 8.150 nan 0.000 0.445 641 R N -3.337 117.063 120.500 -0.167 0.000 2.712 641 R HA 0.379 4.718 4.340 -0.003 0.000 0.272 641 R C -2.915 173.391 176.300 0.011 0.000 1.032 641 R CA -1.259 54.790 56.100 -0.085 0.000 0.874 641 R CB 0.396 30.582 30.300 -0.190 0.000 1.256 641 R HN -0.167 nan 8.270 nan 0.000 0.468 642 P HA -0.099 nan 4.420 nan 0.000 0.223 642 P C 0.199 177.610 177.300 0.185 0.000 1.151 642 P CA 1.069 64.291 63.100 0.203 0.000 0.787 642 P CB 0.295 32.225 31.700 0.382 0.000 0.788 643 E N -0.563 119.738 120.200 0.168 0.000 2.077 643 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 643 E C 2.087 178.826 176.600 0.232 0.000 0.989 643 E CA 1.195 57.722 56.400 0.211 0.000 0.800 643 E CB -1.009 28.778 29.700 0.145 0.000 0.746 643 E HN 0.542 nan 8.360 nan 0.000 0.452 644 H N -0.347 118.754 119.070 0.052 0.000 2.421 644 H HA -0.042 4.512 4.556 -0.003 0.000 0.298 644 H C 2.047 177.409 175.328 0.056 0.000 1.087 644 H CA 0.834 56.904 56.048 0.036 0.000 1.330 644 H CB 0.009 29.799 29.762 0.048 0.000 1.388 644 H HN 0.144 nan 8.280 nan 0.000 0.526 645 I N 0.862 121.552 120.570 0.200 0.000 2.202 645 I HA -0.243 3.925 4.170 -0.003 0.000 0.242 645 I C 1.871 178.062 176.117 0.124 0.000 1.091 645 I CA 1.081 62.464 61.300 0.137 0.000 1.368 645 I CB -0.137 37.895 38.000 0.052 0.000 1.058 645 I HN 0.190 nan 8.210 nan 0.000 0.410 646 D N 0.504 120.961 120.400 0.095 0.000 2.144 646 D HA -0.123 4.516 4.640 -0.003 0.000 0.199 646 D C 2.357 178.690 176.300 0.055 0.000 0.984 646 D CA 0.999 55.025 54.000 0.044 0.000 0.834 646 D CB -0.243 40.646 40.800 0.149 0.000 0.955 646 D HN 0.113 nan 8.370 nan 0.000 0.465 647 V N 1.036 120.987 119.914 0.061 0.000 2.332 647 V HA -0.239 3.879 4.120 -0.003 0.000 0.248 647 V C 2.459 178.595 176.094 0.071 0.000 1.055 647 V CA 1.187 63.517 62.300 0.051 0.000 1.038 647 V CB -0.349 31.462 31.823 -0.021 0.000 0.651 647 V HN 0.181 nan 8.190 nan 0.000 0.450 648 I N -1.597 119.021 120.570 0.080 0.000 2.202 648 I HA -0.255 3.913 4.170 -0.003 0.000 0.242 648 I C 2.365 178.535 176.117 0.088 0.000 1.091 648 I CA 1.794 63.136 61.300 0.068 0.000 1.368 648 I CB -0.414 37.692 38.000 0.176 0.000 1.058 648 I HN 0.222 nan 8.210 nan 0.000 0.410 649 Y N 0.575 120.937 120.300 0.104 0.000 2.274 649 Y HA -0.180 4.369 4.550 -0.002 0.000 0.290 649 Y C 2.299 178.300 175.900 0.168 0.000 1.145 649 Y CA 1.327 59.536 58.100 0.181 0.000 1.203 649 Y CB -0.316 38.140 38.460 -0.007 0.000 0.984 649 Y HN 0.089 nan 8.280 nan 0.000 0.533 650 L N -1.444 119.823 121.223 0.073 0.000 2.056 650 L HA -0.239 4.099 4.340 -0.003 0.000 0.207 650 L C 2.078 178.788 176.870 -0.267 0.000 1.078 650 L CA 1.299 56.086 54.840 -0.089 0.000 0.749 650 L CB -0.406 41.503 42.059 -0.249 0.000 0.901 650 L HN 0.334 nan 8.230 nan 0.000 0.433 651 H N -1.732 117.261 119.070 -0.128 0.000 2.595 651 H HA 0.160 4.715 4.556 -0.003 0.000 0.265 651 H C 1.917 177.001 175.328 -0.407 0.000 0.953 651 H CA 0.927 56.835 56.048 -0.233 0.000 1.197 651 H CB 0.611 30.221 29.762 -0.253 0.000 1.438 651 H HN 0.317 nan 8.280 nan 0.000 0.531 652 G N -1.301 107.216 108.800 -0.471 0.000 2.784 652 G HA2 -0.020 3.939 3.960 -0.003 0.000 0.208 652 G HA3 -0.020 3.939 3.960 -0.003 0.000 0.208 652 G C 0.332 174.573 174.900 -1.099 0.000 1.120 652 G CA -0.022 44.471 45.100 -1.010 0.000 0.774 652 G HN 0.275 nan 8.290 nan 0.000 0.528 653 Y N -0.481 119.702 120.300 -0.194 0.000 2.768 653 Y HA 0.359 4.907 4.550 -0.003 0.000 0.249 653 Y C 1.554 177.562 175.900 0.180 0.000 1.146 653 Y CA -0.658 57.401 58.100 -0.070 0.000 1.171 653 Y CB 0.838 39.087 38.460 -0.353 0.000 1.249 653 Y HN 0.147 nan 8.280 nan 0.000 0.567 654 G N 0.580 109.486 108.800 0.176 0.000 2.321 654 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.287 654 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.287 654 G C 0.256 175.226 174.900 0.117 0.000 1.018 654 G CA 0.214 45.409 45.100 0.158 0.000 0.855 654 G HN 0.546 nan 8.290 nan 0.000 0.507 655 W N 1.375 122.652 121.300 -0.039 0.000 2.295 655 W HA 0.279 4.937 4.660 -0.003 0.000 0.335 655 W C -1.677 174.608 176.519 -0.390 0.000 1.351 655 W CA -1.140 55.999 57.345 -0.344 0.000 1.273 655 W CB 0.521 29.953 29.460 -0.047 0.000 1.214 655 W HN 0.245 nan 8.180 nan 0.000 0.563 656 P HA -0.051 nan 4.420 nan 0.000 0.265 656 P C 0.732 177.846 177.300 -0.310 0.000 1.222 656 P CA 0.510 63.251 63.100 -0.598 0.000 0.767 656 P CB 0.407 31.502 31.700 -1.009 0.000 0.801 657 R N 3.842 124.269 120.500 -0.122 0.000 2.117 657 R HA -0.188 4.150 4.340 -0.003 0.000 0.243 657 R C 1.946 178.211 176.300 -0.058 0.000 1.143 657 R CA 1.469 57.547 56.100 -0.037 0.000 0.968 657 R CB -0.347 29.941 30.300 -0.021 0.000 0.863 657 R HN 0.639 nan 8.270 nan 0.000 0.444 658 H N -1.112 117.916 119.070 -0.070 0.000 2.563 658 H HA 0.060 4.614 4.556 -0.003 0.000 0.272 658 H C 0.334 175.641 175.328 -0.035 0.000 1.005 658 H CA 0.530 56.531 56.048 -0.078 0.000 1.171 658 H CB 0.099 29.804 29.762 -0.095 0.000 1.351 658 H HN 0.168 nan 8.280 nan 0.000 0.602 659 K N -0.031 120.238 120.400 -0.218 0.000 2.506 659 K HA 0.235 4.553 4.320 -0.003 0.000 0.204 659 K C 1.078 177.873 176.600 0.325 0.000 1.045 659 K CA 0.198 56.536 56.287 0.084 0.000 1.074 659 K CB 1.230 33.664 32.500 -0.110 0.000 0.842 659 K HN 0.393 nan 8.250 nan 0.000 0.514 660 G N 1.013 109.828 108.800 0.026 0.000 2.609 660 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.235 660 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.235 660 G C 0.476 175.408 174.900 0.053 0.000 1.177 660 G CA 0.032 45.037 45.100 -0.157 0.000 0.707 660 G HN 0.760 nan 8.290 nan 0.000 0.513 661 G N -1.646 107.092 108.800 -0.102 0.000 2.347 661 G HA2 0.535 4.493 3.960 -0.003 0.000 0.321 661 G HA3 0.535 4.493 3.960 -0.003 0.000 0.321 661 G C -1.568 172.751 174.900 -0.968 0.000 1.412 661 G CA 0.377 44.973 45.100 -0.839 0.000 0.990 661 G HN 0.587 nan 8.290 nan 0.000 0.637 662 P HA -0.102 nan 4.420 nan 0.000 0.218 662 P C 1.958 179.137 177.300 -0.201 0.000 1.149 662 P CA 1.428 63.982 63.100 -0.910 0.000 0.817 662 P CB 0.059 31.221 31.700 -0.896 0.000 0.785 663 M N -1.508 118.008 119.600 -0.141 0.000 2.098 663 M HA -0.070 4.408 4.480 -0.003 0.000 0.262 663 M C 2.305 178.691 176.300 0.143 0.000 1.072 663 M CA 1.338 56.697 55.300 0.098 0.000 1.133 663 M CB -1.838 30.871 32.600 0.181 0.000 1.344 663 M HN -0.119 nan 8.290 nan 0.000 0.414 664 F N 0.373 120.224 119.950 -0.164 0.000 2.120 664 F HA -0.333 4.193 4.527 -0.002 0.000 0.300 664 F C 2.544 178.340 175.800 -0.007 0.000 1.095 664 F CA 1.856 59.679 58.000 -0.294 0.000 1.249 664 F CB -0.575 38.110 39.000 -0.525 0.000 0.995 664 F HN 0.107 nan 8.300 nan 0.000 0.480 665 Y N 0.638 121.060 120.300 0.204 0.000 2.145 665 Y HA -0.177 4.372 4.550 -0.002 0.000 0.286 665 Y C 2.365 178.371 175.900 0.176 0.000 1.145 665 Y CA 1.481 59.752 58.100 0.285 0.000 1.148 665 Y CB -1.050 37.750 38.460 0.567 0.000 0.981 665 Y HN 0.097 nan 8.280 nan 0.000 0.507 666 A N 0.346 123.255 122.820 0.149 0.000 1.902 666 A HA -0.139 4.180 4.320 -0.003 0.000 0.217 666 A C 2.446 180.058 177.584 0.046 0.000 1.181 666 A CA 2.042 54.129 52.037 0.082 0.000 0.623 666 A CB -1.511 17.609 19.000 0.201 0.000 0.818 666 A HN 0.590 nan 8.150 nan 0.000 0.443 667 A N 0.318 123.208 122.820 0.117 0.000 1.902 667 A HA -0.114 4.204 4.320 -0.003 0.000 0.217 667 A C 2.548 180.043 177.584 -0.148 0.000 1.181 667 A CA 2.481 54.551 52.037 0.056 0.000 0.623 667 A CB -1.083 17.887 19.000 -0.050 0.000 0.818 667 A HN 1.081 nan 8.150 nan 0.000 0.443 668 S N -0.371 115.139 115.700 -0.316 0.000 2.382 668 S HA -0.127 4.341 4.470 -0.003 0.000 0.228 668 S C 1.719 176.200 174.600 -0.199 0.000 1.027 668 S CA 1.580 59.612 58.200 -0.280 0.000 0.991 668 S CB -0.865 62.161 63.200 -0.290 0.000 0.823 668 S HN 0.262 nan 8.310 nan 0.000 0.469 669 V N 1.519 121.272 119.914 -0.270 0.000 2.548 669 V HA 0.252 4.370 4.120 -0.003 0.000 0.249 669 V C 1.452 177.492 176.094 -0.090 0.000 1.055 669 V CA 0.886 63.075 62.300 -0.185 0.000 1.065 669 V CB -1.594 30.090 31.823 -0.231 0.000 0.681 669 V HN 1.013 nan 8.190 nan 0.000 0.462 670 G N -0.711 108.040 108.800 -0.081 0.000 3.355 670 G HA2 -0.133 3.825 3.960 -0.003 0.000 0.686 670 G HA3 -0.133 3.825 3.960 -0.003 0.000 0.686 670 G C -0.000 174.872 174.900 -0.047 0.000 1.097 670 G CA -0.192 44.884 45.100 -0.040 0.000 0.881 670 G HN 0.162 nan 8.290 nan 0.000 0.550 671 L N 2.180 123.387 121.223 -0.026 0.000 2.043 671 L HA -0.094 4.245 4.340 -0.003 0.000 0.212 671 L C 0.261 177.071 176.870 -0.101 0.000 1.075 671 L CA 2.054 56.844 54.840 -0.083 0.000 0.752 671 L CB -1.161 40.812 42.059 -0.145 0.000 0.891 671 L HN 0.452 nan 8.230 nan 0.000 0.432 672 P HA -0.131 nan 4.420 nan 0.000 0.216 672 P C 1.658 178.922 177.300 -0.059 0.000 1.150 672 P CA 1.433 64.493 63.100 -0.067 0.000 0.837 672 P CB -0.075 31.597 31.700 -0.047 0.000 0.786 673 T N -0.679 113.843 114.554 -0.053 0.000 2.674 673 T HA -0.108 4.240 4.350 -0.003 0.000 0.265 673 T C 1.852 176.496 174.700 -0.093 0.000 1.039 673 T CA 1.373 63.449 62.100 -0.039 0.000 1.150 673 T CB -1.145 67.715 68.868 -0.012 0.000 0.864 673 T HN -0.125 nan 8.240 nan 0.000 0.427 674 V N 1.713 121.509 119.914 -0.197 0.000 2.324 674 V HA -0.164 3.954 4.120 -0.003 0.000 0.250 674 V C 2.400 178.383 176.094 -0.185 0.000 1.060 674 V CA 1.526 63.596 62.300 -0.385 0.000 1.042 674 V CB -0.800 30.827 31.823 -0.328 0.000 0.650 674 V HN 0.312 nan 8.190 nan 0.000 0.450 675 L N 0.096 121.251 121.223 -0.113 0.000 1.976 675 L HA -0.135 4.203 4.340 -0.003 0.000 0.209 675 L C 2.510 179.367 176.870 -0.021 0.000 1.071 675 L CA 1.972 56.771 54.840 -0.068 0.000 0.746 675 L CB -0.949 41.056 42.059 -0.090 0.000 0.890 675 L HN 0.276 nan 8.230 nan 0.000 0.432 676 E N 0.058 120.244 120.200 -0.024 0.000 2.086 676 E HA -0.284 4.064 4.350 -0.003 0.000 0.205 676 E C 2.112 178.721 176.600 0.015 0.000 1.027 676 E CA 1.856 58.252 56.400 -0.006 0.000 0.830 676 E CB -0.213 29.483 29.700 -0.006 0.000 0.751 676 E HN 0.484 nan 8.360 nan 0.000 0.456 677 K N 0.311 120.745 120.400 0.055 0.000 2.103 677 K HA -0.038 4.280 4.320 -0.003 0.000 0.204 677 K C 2.458 179.198 176.600 0.233 0.000 1.052 677 K CA 0.440 56.806 56.287 0.132 0.000 0.945 677 K CB -0.453 32.291 32.500 0.407 0.000 0.722 677 K HN 0.184 nan 8.250 nan 0.000 0.443 678 L N 1.112 122.484 121.223 0.247 0.000 2.017 678 L HA -0.213 4.125 4.340 -0.003 0.000 0.208 678 L C 2.734 179.748 176.870 0.241 0.000 1.073 678 L CA 1.304 56.320 54.840 0.293 0.000 0.745 678 L CB -0.447 41.724 42.059 0.186 0.000 0.894 678 L HN 0.232 nan 8.230 nan 0.000 0.432 679 Q N -0.037 119.851 119.800 0.147 0.000 2.096 679 Q HA -0.323 4.015 4.340 -0.003 0.000 0.208 679 Q C 2.233 178.293 176.000 0.101 0.000 0.993 679 Q CA 2.327 58.212 55.803 0.136 0.000 0.862 679 Q CB -0.152 28.626 28.738 0.066 0.000 0.915 679 Q HN 0.350 nan 8.270 nan 0.000 0.416 680 K N -0.231 120.170 120.400 0.001 0.000 1.978 680 K HA -0.228 4.091 4.320 -0.003 0.000 0.214 680 K C 1.939 178.497 176.600 -0.069 0.000 1.049 680 K CA 1.773 57.991 56.287 -0.115 0.000 0.939 680 K CB -0.350 31.977 32.500 -0.289 0.000 0.721 680 K HN 0.138 nan 8.250 nan 0.000 0.441 681 Y N -0.318 120.052 120.300 0.116 0.000 2.139 681 Y HA -0.270 4.279 4.550 -0.002 0.000 0.282 681 Y C 2.414 178.397 175.900 0.138 0.000 1.179 681 Y CA 1.842 60.011 58.100 0.116 0.000 1.161 681 Y CB -0.961 37.581 38.460 0.137 0.000 0.970 681 Y HN 0.337 nan 8.280 nan 0.000 0.511 682 Y N 0.714 121.119 120.300 0.176 0.000 2.373 682 Y HA -0.106 4.442 4.550 -0.003 0.000 0.293 682 Y C 2.563 178.498 175.900 0.059 0.000 1.129 682 Y CA 1.148 59.311 58.100 0.105 0.000 1.226 682 Y CB -0.402 38.113 38.460 0.091 0.000 1.000 682 Y HN 0.010 nan 8.280 nan 0.000 0.549 683 R N 0.031 120.473 120.500 -0.097 0.000 2.073 683 R HA -0.137 4.201 4.340 -0.003 0.000 0.229 683 R C 2.046 178.264 176.300 -0.136 0.000 1.120 683 R CA 1.824 57.810 56.100 -0.191 0.000 0.967 683 R CB -0.123 30.122 30.300 -0.092 0.000 0.862 683 R HN 0.456 nan 8.270 nan 0.000 0.436 684 Q N -0.405 119.367 119.800 -0.045 0.000 2.435 684 Q HA 0.018 4.356 4.340 -0.003 0.000 0.207 684 Q C -0.195 175.797 176.000 -0.012 0.000 0.956 684 Q CA 0.601 56.395 55.803 -0.015 0.000 0.917 684 Q CB 0.367 29.127 28.738 0.037 0.000 0.997 684 Q HN 0.333 nan 8.270 nan 0.000 0.497 685 N N 0.697 119.388 118.700 -0.015 0.000 2.726 685 N HA 0.124 4.862 4.740 -0.003 0.000 0.253 685 N C -2.405 173.078 175.510 -0.045 0.000 1.530 685 N CA -0.804 52.235 53.050 -0.019 0.000 0.772 685 N CB 1.454 39.953 38.487 0.019 0.000 1.220 685 N HN 0.040 nan 8.380 nan 0.000 0.508 686 P HA -0.077 nan 4.420 nan 0.000 0.230 686 P C 0.495 177.804 177.300 0.014 0.000 1.158 686 P CA 1.020 63.982 63.100 -0.230 0.000 0.769 686 P CB 0.228 31.790 31.700 -0.229 0.000 0.807 687 D N -0.217 120.191 120.400 0.014 0.000 2.336 687 D HA -0.014 4.624 4.640 -0.003 0.000 0.229 687 D C 0.647 176.987 176.300 0.066 0.000 1.061 687 D CA -0.015 54.008 54.000 0.038 0.000 0.875 687 D CB -0.648 40.147 40.800 -0.009 0.000 0.904 687 D HN 0.271 nan 8.370 nan 0.000 0.525 688 I N 1.682 122.326 120.570 0.124 0.000 2.620 688 I HA 0.149 4.317 4.170 -0.003 0.000 0.280 688 I C -1.660 174.582 176.117 0.208 0.000 1.143 688 I CA -1.936 59.446 61.300 0.137 0.000 1.163 688 I CB 1.502 39.543 38.000 0.067 0.000 1.461 688 I HN -0.283 nan 8.210 nan 0.000 0.530 689 P HA -0.212 nan 4.420 nan 0.000 0.226 689 P C 1.310 178.584 177.300 -0.042 0.000 1.146 689 P CA 1.040 64.179 63.100 0.065 0.000 0.773 689 P CB 0.294 32.041 31.700 0.079 0.000 0.772 690 Q N 0.335 120.164 119.800 0.048 0.000 2.119 690 Q HA -0.081 4.257 4.340 -0.003 0.000 0.201 690 Q C 2.139 178.148 176.000 0.015 0.000 0.972 690 Q CA 1.093 56.923 55.803 0.046 0.000 0.847 690 Q CB -0.642 28.163 28.738 0.113 0.000 0.903 690 Q HN 0.316 nan 8.270 nan 0.000 0.433 691 L N 0.998 122.245 121.223 0.040 0.000 2.275 691 L HA -0.037 4.302 4.340 -0.003 0.000 0.215 691 L C 1.358 178.155 176.870 -0.121 0.000 1.119 691 L CA 0.287 55.165 54.840 0.062 0.000 0.790 691 L CB -0.344 41.844 42.059 0.214 0.000 0.919 691 L HN 0.234 nan 8.230 nan 0.000 0.443 692 E N 2.120 121.990 120.200 -0.551 0.000 2.558 692 E HA -0.018 4.330 4.350 -0.003 0.000 0.255 692 E C -2.097 174.350 176.600 -0.256 0.000 0.968 692 E CA -1.722 54.194 56.400 -0.806 0.000 0.939 692 E CB 0.573 29.624 29.700 -1.081 0.000 0.921 692 E HN -0.043 nan 8.360 nan 0.000 0.477 693 P HA -0.082 nan 4.420 nan 0.000 0.261 693 P C -0.649 176.626 177.300 -0.042 0.000 1.183 693 P CA 0.190 63.270 63.100 -0.034 0.000 0.761 693 P CB 0.828 32.515 31.700 -0.020 0.000 0.785 694 S N 2.992 118.695 115.700 0.004 0.000 2.552 694 S HA -0.064 4.404 4.470 -0.003 0.000 0.289 694 S C 1.312 175.894 174.600 -0.029 0.000 1.304 694 S CA -0.089 58.121 58.200 0.016 0.000 1.063 694 S CB -0.102 63.163 63.200 0.109 0.000 0.848 694 S HN 0.396 nan 8.310 nan 0.000 0.499 695 D N 2.773 123.164 120.400 -0.015 0.000 2.133 695 D HA -0.194 4.444 4.640 -0.003 0.000 0.192 695 D C 1.367 177.625 176.300 -0.070 0.000 1.001 695 D CA 1.803 55.780 54.000 -0.039 0.000 0.844 695 D CB -0.267 40.523 40.800 -0.016 0.000 0.944 695 D HN 0.890 nan 8.370 nan 0.000 0.447 696 Y N 0.960 121.154 120.300 -0.177 0.000 2.241 696 Y HA -0.257 4.291 4.550 -0.002 0.000 0.286 696 Y C 2.169 177.774 175.900 -0.492 0.000 1.166 696 Y CA 1.159 59.102 58.100 -0.261 0.000 1.203 696 Y CB -0.131 38.218 38.460 -0.185 0.000 0.977 696 Y HN -0.014 nan 8.280 nan 0.000 0.529 697 L N 0.500 121.481 121.223 -0.402 0.000 2.068 697 L HA -0.059 4.279 4.340 -0.003 0.000 0.204 697 L C 2.307 178.931 176.870 -0.411 0.000 1.076 697 L CA 1.505 55.949 54.840 -0.659 0.000 0.753 697 L CB -0.816 40.871 42.059 -0.619 0.000 0.910 697 L HN 0.046 nan 8.230 nan 0.000 0.439 698 R N -0.519 119.826 120.500 -0.258 0.000 2.133 698 R HA -0.200 4.138 4.340 -0.003 0.000 0.247 698 R C 2.374 178.549 176.300 -0.209 0.000 1.151 698 R CA 1.978 57.966 56.100 -0.187 0.000 0.971 698 R CB -0.412 29.815 30.300 -0.122 0.000 0.866 698 R HN 0.425 nan 8.270 nan 0.000 0.447 699 R N 0.219 120.565 120.500 -0.257 0.000 2.119 699 R HA 0.032 4.370 4.340 -0.003 0.000 0.222 699 R C 2.377 178.501 176.300 -0.293 0.000 1.088 699 R CA 0.676 56.626 56.100 -0.251 0.000 0.984 699 R CB -0.125 30.017 30.300 -0.263 0.000 0.884 699 R HN 0.215 nan 8.270 nan 0.000 0.447 700 L N 0.188 121.161 121.223 -0.417 0.000 1.994 700 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 700 L C 2.370 179.077 176.870 -0.273 0.000 1.071 700 L CA 1.206 55.794 54.840 -0.420 0.000 0.745 700 L CB -0.507 41.148 42.059 -0.673 0.000 0.892 700 L HN 0.015 nan 8.230 nan 0.000 0.431 701 V N 0.166 119.921 119.914 -0.264 0.000 2.392 701 V HA -0.314 3.804 4.120 -0.003 0.000 0.249 701 V C 2.731 178.747 176.094 -0.130 0.000 1.059 701 V CA 1.809 64.005 62.300 -0.173 0.000 1.051 701 V CB -0.952 30.776 31.823 -0.159 0.000 0.658 701 V HN 0.500 nan 8.190 nan 0.000 0.455 702 A N -0.897 121.839 122.820 -0.140 0.000 1.933 702 A HA -0.229 4.089 4.320 -0.003 0.000 0.218 702 A C 1.966 179.495 177.584 -0.093 0.000 1.175 702 A CA 1.397 53.371 52.037 -0.106 0.000 0.628 702 A CB -0.390 18.545 19.000 -0.108 0.000 0.814 702 A HN 0.618 nan 8.150 nan 0.000 0.444 703 Q N -0.970 118.764 119.800 -0.109 0.000 2.247 703 Q HA 0.338 4.676 4.340 -0.003 0.000 0.234 703 Q C 0.711 176.672 176.000 -0.064 0.000 0.899 703 Q CA 0.208 55.962 55.803 -0.083 0.000 0.951 703 Q CB -0.211 28.472 28.738 -0.092 0.000 1.057 703 Q HN 0.808 nan 8.270 nan 0.000 0.444 704 G N 0.653 109.415 108.800 -0.063 0.000 2.198 704 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.260 704 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.260 704 G C 0.168 175.050 174.900 -0.029 0.000 1.025 704 G CA 0.213 45.287 45.100 -0.043 0.000 0.769 704 G HN 0.336 nan 8.290 nan 0.000 0.507 705 S N -0.789 114.882 115.700 -0.047 0.000 3.667 705 S HA -0.139 4.329 4.470 -0.003 0.000 0.405 705 S C -0.965 173.683 174.600 0.080 0.000 0.913 705 S CA 0.812 59.005 58.200 -0.012 0.000 1.288 705 S CB -0.868 62.322 63.200 -0.017 0.000 0.905 705 S HN 1.068 nan 8.310 nan 0.000 0.550 706 P HA 0.357 nan 4.420 nan 0.000 0.274 706 P C -2.437 175.023 177.300 0.267 0.000 1.256 706 P CA -1.313 61.880 63.100 0.154 0.000 0.795 706 P CB -0.266 31.522 31.700 0.146 0.000 1.038 707 P HA 0.051 nan 4.420 nan 0.000 0.269 707 P C 1.333 178.409 177.300 -0.374 0.000 1.215 707 P CA -0.258 62.820 63.100 -0.036 0.000 0.780 707 P CB 0.688 32.350 31.700 -0.063 0.000 0.898 708 L N 2.773 123.489 121.223 -0.845 0.000 2.030 708 L HA -0.300 4.039 4.340 -0.003 0.000 0.222 708 L C 2.250 178.563 176.870 -0.929 0.000 1.082 708 L CA 2.602 56.359 54.840 -1.804 0.000 0.785 708 L CB -0.616 40.724 42.059 -1.200 0.000 0.895 708 L HN 0.433 nan 8.230 nan 0.000 0.439 709 K N -1.043 119.121 120.400 -0.393 0.000 2.574 709 K HA -0.129 4.189 4.320 -0.003 0.000 0.193 709 K C 1.318 177.883 176.600 -0.059 0.000 1.035 709 K CA 1.548 57.748 56.287 -0.146 0.000 0.982 709 K CB -0.150 32.318 32.500 -0.053 0.000 0.795 709 K HN 0.478 nan 8.250 nan 0.000 0.491 710 E N -0.621 119.549 120.200 -0.051 0.000 2.526 710 E HA 0.031 4.379 4.350 -0.003 0.000 0.208 710 E C 0.573 177.308 176.600 0.226 0.000 0.997 710 E CA -0.410 56.036 56.400 0.077 0.000 0.961 710 E CB 0.139 29.881 29.700 0.070 0.000 1.030 710 E HN 0.303 nan 8.360 nan 0.000 0.483 711 W N 1.574 122.905 121.300 0.053 0.000 2.317 711 W HA -0.220 4.438 4.660 -0.004 0.000 0.318 711 W C 2.117 178.668 176.519 0.053 0.000 1.227 711 W CA 0.865 58.244 57.345 0.056 0.000 1.269 711 W CB -1.032 28.548 29.460 0.201 0.000 1.155 711 W HN 0.175 nan 8.180 nan 0.000 0.484 712 Q N -0.058 119.961 119.800 0.365 0.000 2.084 712 Q HA -0.143 4.195 4.340 -0.003 0.000 0.202 712 Q C 2.271 178.369 176.000 0.162 0.000 0.978 712 Q CA 2.334 58.304 55.803 0.277 0.000 0.844 712 Q CB -1.176 27.697 28.738 0.225 0.000 0.898 712 Q HN 0.467 nan 8.270 nan 0.000 0.426 713 S N -0.672 115.102 115.700 0.124 0.000 2.436 713 S HA 0.022 4.491 4.470 -0.003 0.000 0.228 713 S C 1.831 176.456 174.600 0.041 0.000 1.014 713 S CA 0.444 58.692 58.200 0.080 0.000 0.950 713 S CB -0.135 63.104 63.200 0.066 0.000 0.784 713 S HN 0.297 nan 8.310 nan 0.000 0.504 714 L N -0.156 121.081 121.223 0.023 0.000 2.616 714 L HA 0.519 4.857 4.340 -0.003 0.000 0.229 714 L C 1.970 178.768 176.870 -0.120 0.000 1.110 714 L CA 0.592 55.413 54.840 -0.032 0.000 0.884 714 L CB 0.152 42.199 42.059 -0.019 0.000 1.115 714 L HN 0.483 nan 8.230 nan 0.000 0.481 715 A N -0.584 122.130 122.820 -0.177 0.000 2.591 715 A HA 0.416 4.735 4.320 -0.003 0.000 0.204 715 A C 1.066 178.507 177.584 -0.237 0.000 1.410 715 A CA 0.317 52.138 52.037 -0.361 0.000 1.065 715 A CB -0.083 18.437 19.000 -0.800 0.000 1.362 715 A HN 0.199 nan 8.150 nan 0.000 0.566 716 G N 0.953 109.754 108.800 0.001 0.000 2.594 716 G HA2 0.402 4.361 3.960 -0.003 0.000 0.243 716 G HA3 0.402 4.361 3.960 -0.003 0.000 0.243 716 G C -0.560 174.378 174.900 0.064 0.000 1.229 716 G CA -0.279 44.941 45.100 0.200 0.000 0.843 716 G HN 0.087 nan 8.290 nan 0.000 0.578 717 P HA -0.113 nan 4.420 nan 0.000 0.221 717 P C 0.237 177.366 177.300 -0.286 0.000 1.145 717 P CA 1.230 64.224 63.100 -0.176 0.000 0.795 717 P CB 0.119 31.642 31.700 -0.294 0.000 0.775 718 H N 0.000 119.112 119.070 0.070 0.000 2.539 718 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 718 H CA 0.000 56.080 56.048 0.054 0.000 1.023 718 H CB 0.000 29.797 29.762 0.058 0.000 1.292 718 H HN 0.000 nan 8.280 nan 0.000 0.496