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 1mt5_1_B DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.549 177.584 -0.058 0.000 1.274 37 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 37 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 38 R N 0.808 121.246 120.500 -0.102 0.000 2.236 38 R HA 0.323 4.632 4.340 -0.051 0.000 0.208 38 R C 2.303 178.637 176.300 0.057 0.000 1.036 38 R CA 1.802 57.850 56.100 -0.086 0.000 1.001 38 R CB -1.689 28.449 30.300 -0.269 0.000 0.896 38 R HN 1.400 nan 8.270 nan 0.000 0.464 39 G N 0.458 109.308 108.800 0.085 0.000 2.517 39 G HA2 -0.012 3.917 3.960 -0.051 0.000 0.222 39 G HA3 -0.012 3.917 3.960 -0.051 0.000 0.222 39 G C 1.472 176.408 174.900 0.061 0.000 1.109 39 G CA 0.756 45.932 45.100 0.127 0.000 0.746 39 G HN 0.889 nan 8.290 nan 0.000 0.576 40 A N 0.567 123.401 122.820 0.024 0.000 2.604 40 A HA 0.641 4.930 4.320 -0.051 0.000 0.248 40 A C 2.138 179.707 177.584 -0.025 0.000 1.466 40 A CA 1.031 53.067 52.037 -0.003 0.000 1.222 40 A CB -0.548 18.445 19.000 -0.010 0.000 0.945 40 A HN 0.579 nan 8.150 nan 0.000 0.600 41 A N 0.097 122.910 122.820 -0.012 0.000 1.930 41 A HA -0.088 4.202 4.320 -0.051 0.000 0.217 41 A C 2.304 179.830 177.584 -0.097 0.000 1.175 41 A CA 2.049 54.042 52.037 -0.074 0.000 0.627 41 A CB -0.976 18.004 19.000 -0.033 0.000 0.815 41 A HN 0.778 nan 8.150 nan 0.000 0.443 42 T N -2.626 111.902 114.554 -0.045 0.000 3.051 42 T HA -0.065 4.254 4.350 -0.051 0.000 0.269 42 T C 1.794 176.477 174.700 -0.028 0.000 1.127 42 T CA 1.068 63.147 62.100 -0.035 0.000 1.107 42 T CB -0.264 68.597 68.868 -0.013 0.000 0.898 42 T HN 0.475 nan 8.240 nan 0.000 0.517 43 R N 0.577 121.057 120.500 -0.032 0.000 2.148 43 R HA 0.198 4.508 4.340 -0.051 0.000 0.223 43 R C 2.531 178.816 176.300 -0.025 0.000 1.088 43 R CA 1.062 57.150 56.100 -0.021 0.000 0.985 43 R CB -0.315 29.975 30.300 -0.017 0.000 0.880 43 R HN 0.528 nan 8.270 nan 0.000 0.451 44 A N -0.183 122.587 122.820 -0.084 0.000 2.044 44 A HA 0.015 4.304 4.320 -0.051 0.000 0.213 44 A C 1.954 179.498 177.584 -0.067 0.000 1.169 44 A CA 0.250 52.216 52.037 -0.117 0.000 0.724 44 A CB -0.077 18.687 19.000 -0.394 0.000 0.840 44 A HN 0.149 nan 8.150 nan 0.000 0.463 45 R N 0.042 120.491 120.500 -0.086 0.000 2.092 45 R HA -0.199 4.110 4.340 -0.051 0.000 0.231 45 R C 2.383 178.712 176.300 0.048 0.000 1.119 45 R CA 1.883 57.977 56.100 -0.010 0.000 0.970 45 R CB -0.127 30.154 30.300 -0.031 0.000 0.864 45 R HN 0.772 nan 8.270 nan 0.000 0.440 46 Q N -0.142 119.680 119.800 0.036 0.000 2.172 46 Q HA -0.088 4.221 4.340 -0.051 0.000 0.200 46 Q C 1.579 177.627 176.000 0.079 0.000 0.964 46 Q CA 1.354 57.189 55.803 0.053 0.000 0.855 46 Q CB -0.097 28.663 28.738 0.036 0.000 0.918 46 Q HN 0.086 nan 8.270 nan 0.000 0.444 47 K N 0.283 120.737 120.400 0.091 0.000 2.097 47 K HA -0.140 4.149 4.320 -0.051 0.000 0.205 47 K C 2.287 178.990 176.600 0.172 0.000 1.050 47 K CA 1.409 57.769 56.287 0.121 0.000 0.938 47 K CB -0.008 32.568 32.500 0.127 0.000 0.718 47 K HN 0.394 nan 8.250 nan 0.000 0.442 48 Q N 0.151 120.086 119.800 0.226 0.000 2.079 48 Q HA -0.206 4.104 4.340 -0.051 0.000 0.200 48 Q C 2.293 178.389 176.000 0.159 0.000 0.974 48 Q CA 1.868 57.812 55.803 0.236 0.000 0.840 48 Q CB 0.030 28.975 28.738 0.346 0.000 0.898 48 Q HN 0.261 nan 8.270 nan 0.000 0.430 49 R N 0.115 120.693 120.500 0.131 0.000 2.148 49 R HA 0.045 4.355 4.340 -0.051 0.000 0.227 49 R C 2.034 178.406 176.300 0.121 0.000 1.103 49 R CA 1.461 57.627 56.100 0.111 0.000 0.983 49 R CB -1.242 29.109 30.300 0.086 0.000 0.874 49 R HN 0.497 nan 8.270 nan 0.000 0.451 50 A N -0.220 122.672 122.820 0.119 0.000 1.872 50 A HA -0.018 4.271 4.320 -0.051 0.000 0.214 50 A C 2.567 180.239 177.584 0.148 0.000 1.187 50 A CA 1.674 53.781 52.037 0.118 0.000 0.614 50 A CB -0.526 18.534 19.000 0.100 0.000 0.826 50 A HN 0.470 nan 8.150 nan 0.000 0.442 51 S N -0.728 115.076 115.700 0.173 0.000 2.399 51 S HA -0.055 4.385 4.470 -0.051 0.000 0.231 51 S C 1.670 176.394 174.600 0.206 0.000 1.022 51 S CA 1.131 59.469 58.200 0.229 0.000 0.983 51 S CB -0.319 63.029 63.200 0.247 0.000 0.803 51 S HN 0.413 nan 8.310 nan 0.000 0.480 52 L N 1.155 122.494 121.223 0.194 0.000 2.465 52 L HA 0.045 4.354 4.340 -0.051 0.000 0.224 52 L C 2.481 179.569 176.870 0.364 0.000 1.145 52 L CA 1.514 56.511 54.840 0.261 0.000 0.834 52 L CB -0.392 41.770 42.059 0.172 0.000 0.944 52 L HN 0.430 nan 8.230 nan 0.000 0.451 53 E N -1.757 118.571 120.200 0.213 0.000 2.389 53 E HA -0.017 4.303 4.350 -0.051 0.000 0.199 53 E C 2.013 178.647 176.600 0.057 0.000 0.978 53 E CA 0.917 57.404 56.400 0.144 0.000 0.912 53 E CB -0.692 29.079 29.700 0.119 0.000 0.907 53 E HN 0.437 nan 8.360 nan 0.000 0.494 54 T N 0.599 115.197 114.554 0.073 0.000 2.857 54 T HA -0.003 4.316 4.350 -0.051 0.000 0.266 54 T C 2.202 176.844 174.700 -0.096 0.000 1.048 54 T CA 1.320 63.448 62.100 0.047 0.000 1.139 54 T CB -0.224 68.747 68.868 0.172 0.000 0.874 54 T HN 0.349 nan 8.240 nan 0.000 0.455 55 M N 1.108 120.593 119.600 -0.193 0.000 2.132 55 M HA -0.078 4.371 4.480 -0.051 0.000 0.263 55 M C 2.242 178.364 176.300 -0.296 0.000 1.065 55 M CA 1.611 56.717 55.300 -0.323 0.000 1.122 55 M CB -0.408 32.096 32.600 -0.160 0.000 1.365 55 M HN 0.176 nan 8.290 nan 0.000 0.411 56 D N 0.642 120.803 120.400 -0.398 0.000 2.117 56 D HA -0.136 4.473 4.640 -0.051 0.000 0.198 56 D C 2.177 178.253 176.300 -0.374 0.000 0.982 56 D CA 2.287 55.865 54.000 -0.702 0.000 0.828 56 D CB 0.164 40.484 40.800 -0.801 0.000 0.967 56 D HN 0.211 nan 8.370 nan 0.000 0.464 57 K N 0.263 120.543 120.400 -0.200 0.000 2.097 57 K HA 0.201 4.490 4.320 -0.051 0.000 0.205 57 K C 2.189 178.745 176.600 -0.074 0.000 1.050 57 K CA 1.405 57.625 56.287 -0.113 0.000 0.938 57 K CB -1.076 31.393 32.500 -0.050 0.000 0.718 57 K HN 0.299 nan 8.250 nan 0.000 0.442 58 A N 1.085 123.881 122.820 -0.040 0.000 1.929 58 A HA 0.065 4.354 4.320 -0.051 0.000 0.216 58 A C 2.582 180.188 177.584 0.036 0.000 1.176 58 A CA 1.930 53.995 52.037 0.046 0.000 0.628 58 A CB -0.627 18.499 19.000 0.211 0.000 0.816 58 A HN 0.907 nan 8.150 nan 0.000 0.444 59 V N -2.540 117.372 119.914 -0.002 0.000 2.667 59 V HA -0.211 3.878 4.120 -0.051 0.000 0.252 59 V C 2.082 178.166 176.094 -0.016 0.000 1.065 59 V CA 2.124 64.437 62.300 0.021 0.000 1.083 59 V CB -0.976 30.816 31.823 -0.053 0.000 0.692 59 V HN 0.555 nan 8.190 nan 0.000 0.468 60 Q N 0.671 120.412 119.800 -0.098 0.000 2.020 60 Q HA -0.078 4.231 4.340 -0.051 0.000 0.198 60 Q C 2.708 178.664 176.000 -0.074 0.000 0.974 60 Q CA 2.666 58.411 55.803 -0.097 0.000 0.829 60 Q CB -0.345 28.313 28.738 -0.133 0.000 0.894 60 Q HN 0.756 nan 8.270 nan 0.000 0.433 61 R N 0.055 120.513 120.500 -0.070 0.000 2.193 61 R HA -0.155 4.154 4.340 -0.051 0.000 0.229 61 R C 1.655 177.898 176.300 -0.095 0.000 1.110 61 R CA 1.576 57.630 56.100 -0.077 0.000 0.988 61 R CB -1.455 28.807 30.300 -0.063 0.000 0.871 61 R HN 0.387 nan 8.270 nan 0.000 0.458 62 F N 1.092 120.880 119.950 -0.269 0.000 2.118 62 F HA 0.020 4.518 4.527 -0.049 0.000 0.293 62 F C 3.004 178.702 175.800 -0.169 0.000 1.102 62 F CA 2.170 59.987 58.000 -0.305 0.000 1.247 62 F CB -0.310 38.392 39.000 -0.496 0.000 1.017 62 F HN 0.317 nan 8.300 nan 0.000 0.475 63 R N 0.793 121.253 120.500 -0.067 0.000 2.148 63 R HA 0.039 4.349 4.340 -0.051 0.000 0.227 63 R C 2.172 178.364 176.300 -0.179 0.000 1.103 63 R CA 1.628 57.653 56.100 -0.125 0.000 0.983 63 R CB -2.234 28.059 30.300 -0.013 0.000 0.874 63 R HN 0.478 nan 8.270 nan 0.000 0.451 64 L N -0.694 120.435 121.223 -0.158 0.000 2.109 64 L HA 0.170 4.480 4.340 -0.051 0.000 0.207 64 L C 2.788 179.550 176.870 -0.179 0.000 1.086 64 L CA 2.394 57.149 54.840 -0.142 0.000 0.760 64 L CB -1.835 40.160 42.059 -0.106 0.000 0.910 64 L HN 0.685 nan 8.230 nan 0.000 0.437 65 Q N -0.907 118.747 119.800 -0.243 0.000 2.444 65 Q HA 0.067 4.377 4.340 -0.051 0.000 0.206 65 Q C 1.060 176.835 176.000 -0.375 0.000 0.948 65 Q CA 1.087 56.728 55.803 -0.271 0.000 0.946 65 Q CB -0.644 27.942 28.738 -0.252 0.000 1.027 65 Q HN 0.901 nan 8.270 nan 0.000 0.513 66 N N -0.536 117.883 118.700 -0.468 0.000 2.673 66 N HA 0.244 4.953 4.740 -0.051 0.000 0.265 66 N C -2.432 172.910 175.510 -0.280 0.000 1.709 66 N CA -0.860 51.910 53.050 -0.467 0.000 0.792 66 N CB 1.808 39.752 38.487 -0.905 0.000 1.286 66 N HN 0.131 nan 8.380 nan 0.000 0.506 67 P HA 0.065 nan 4.420 nan 0.000 0.224 67 P C 0.880 178.131 177.300 -0.081 0.000 1.157 67 P CA 0.970 63.999 63.100 -0.117 0.000 0.799 67 P CB 0.166 31.808 31.700 -0.096 0.000 0.809 68 D N -0.366 119.988 120.400 -0.077 0.000 2.347 68 D HA 0.216 4.825 4.640 -0.051 0.000 0.215 68 D C 1.131 177.411 176.300 -0.034 0.000 0.976 68 D CA 0.632 54.603 54.000 -0.049 0.000 0.884 68 D CB -0.880 39.894 40.800 -0.044 0.000 0.915 68 D HN 0.267 nan 8.370 nan 0.000 0.526 69 L N 0.368 121.570 121.223 -0.034 0.000 2.439 69 L HA 0.546 4.855 4.340 -0.051 0.000 0.269 69 L C 0.414 177.286 176.870 0.003 0.000 1.179 69 L CA -0.472 54.366 54.840 -0.003 0.000 0.828 69 L CB 0.733 42.808 42.059 0.027 0.000 1.106 69 L HN 0.231 nan 8.230 nan 0.000 0.467 70 D N 0.882 121.287 120.400 0.008 0.000 2.313 70 D HA 0.386 4.995 4.640 -0.051 0.000 0.239 70 D C 0.980 177.275 176.300 -0.008 0.000 1.142 70 D CA 0.443 54.442 54.000 -0.003 0.000 0.847 70 D CB 1.743 42.541 40.800 -0.004 0.000 1.082 70 D HN 0.606 nan 8.370 nan 0.000 0.480 71 S N 2.896 118.583 115.700 -0.021 0.000 2.341 71 S HA -0.101 4.338 4.470 -0.051 0.000 0.216 71 S C 2.003 176.556 174.600 -0.078 0.000 1.034 71 S CA 1.218 59.387 58.200 -0.052 0.000 0.964 71 S CB -0.193 62.978 63.200 -0.048 0.000 0.882 71 S HN 0.722 nan 8.310 nan 0.000 0.469 72 E N 0.654 120.820 120.200 -0.057 0.000 2.401 72 E HA 0.219 4.539 4.350 -0.051 0.000 0.199 72 E C 1.543 178.115 176.600 -0.047 0.000 1.023 72 E CA 1.161 57.527 56.400 -0.056 0.000 0.859 72 E CB -0.699 28.978 29.700 -0.038 0.000 0.780 72 E HN 0.590 nan 8.360 nan 0.000 0.523 73 A N -0.816 121.981 122.820 -0.039 0.000 2.259 73 A HA 0.423 4.712 4.320 -0.051 0.000 0.213 73 A C 1.985 179.554 177.584 -0.024 0.000 1.209 73 A CA 0.436 52.459 52.037 -0.023 0.000 0.910 73 A CB 0.229 19.223 19.000 -0.010 0.000 0.946 73 A HN 0.392 nan 8.150 nan 0.000 0.497 74 L N 0.097 121.292 121.223 -0.046 0.000 2.044 74 L HA -0.011 4.299 4.340 -0.051 0.000 0.205 74 L C 2.136 178.947 176.870 -0.098 0.000 1.075 74 L CA 1.879 56.685 54.840 -0.056 0.000 0.747 74 L CB -1.026 40.986 42.059 -0.077 0.000 0.903 74 L HN 0.435 nan 8.230 nan 0.000 0.435 75 L N -0.261 120.845 121.223 -0.196 0.000 2.027 75 L HA -0.167 4.142 4.340 -0.051 0.000 0.206 75 L C 2.324 179.155 176.870 -0.065 0.000 1.074 75 L CA 1.747 56.406 54.840 -0.302 0.000 0.745 75 L CB -0.950 40.898 42.059 -0.352 0.000 0.898 75 L HN 0.353 nan 8.230 nan 0.000 0.433 76 T N -2.152 112.379 114.554 -0.038 0.000 3.215 76 T HA 0.061 4.381 4.350 -0.051 0.000 0.254 76 T C 0.589 175.308 174.700 0.031 0.000 1.149 76 T CA -0.193 61.912 62.100 0.008 0.000 1.042 76 T CB -0.399 68.467 68.868 -0.003 0.000 0.966 76 T HN -0.146 nan 8.240 nan 0.000 0.534 77 L N 3.279 124.526 121.223 0.039 0.000 2.477 77 L HA 0.375 4.684 4.340 -0.051 0.000 0.272 77 L C -2.055 174.859 176.870 0.073 0.000 1.157 77 L CA -2.343 52.529 54.840 0.052 0.000 0.889 77 L CB 0.309 42.400 42.059 0.054 0.000 1.158 77 L HN 0.079 nan 8.230 nan 0.000 0.473 78 P HA 0.000 nan 4.420 nan 0.000 0.269 78 P C 0.795 178.127 177.300 0.053 0.000 1.215 78 P CA -0.447 62.687 63.100 0.057 0.000 0.780 78 P CB 0.603 32.331 31.700 0.047 0.000 0.898 79 L N 3.095 124.344 121.223 0.043 0.000 2.013 79 L HA -0.204 4.105 4.340 -0.051 0.000 0.212 79 L C 1.810 178.696 176.870 0.026 0.000 1.073 79 L CA 2.033 56.888 54.840 0.026 0.000 0.753 79 L CB -1.077 40.982 42.059 0.000 0.000 0.890 79 L HN 0.254 nan 8.230 nan 0.000 0.432 80 L N -0.837 120.404 121.223 0.030 0.000 2.013 80 L HA -0.275 4.034 4.340 -0.051 0.000 0.212 80 L C 2.570 179.461 176.870 0.036 0.000 1.073 80 L CA 1.926 56.785 54.840 0.032 0.000 0.753 80 L CB -1.959 40.124 42.059 0.039 0.000 0.890 80 L HN 0.495 nan 8.230 nan 0.000 0.432 81 Q N -0.735 119.088 119.800 0.039 0.000 2.083 81 Q HA -0.170 4.139 4.340 -0.051 0.000 0.198 81 Q C 2.338 178.366 176.000 0.046 0.000 0.969 81 Q CA 0.892 56.719 55.803 0.040 0.000 0.838 81 Q CB -0.074 28.688 28.738 0.039 0.000 0.900 81 Q HN 0.340 nan 8.270 nan 0.000 0.436 82 L N 0.136 121.389 121.223 0.051 0.000 2.012 82 L HA -0.165 4.145 4.340 -0.051 0.000 0.210 82 L C 2.240 179.143 176.870 0.054 0.000 1.073 82 L CA 1.692 56.568 54.840 0.059 0.000 0.748 82 L CB -0.707 41.398 42.059 0.078 0.000 0.891 82 L HN 0.181 nan 8.230 nan 0.000 0.431 83 V N -0.168 119.772 119.914 0.044 0.000 2.427 83 V HA -0.275 3.815 4.120 -0.051 0.000 0.248 83 V C 2.433 178.568 176.094 0.068 0.000 1.051 83 V CA 2.027 64.359 62.300 0.054 0.000 1.048 83 V CB -0.655 31.190 31.823 0.037 0.000 0.666 83 V HN 0.887 nan 8.190 nan 0.000 0.456 84 Q N 0.094 119.925 119.800 0.053 0.000 2.297 84 Q HA -0.096 4.214 4.340 -0.051 0.000 0.204 84 Q C 2.070 178.102 176.000 0.053 0.000 0.962 84 Q CA 1.780 57.612 55.803 0.049 0.000 0.879 84 Q CB -0.424 28.337 28.738 0.038 0.000 0.947 84 Q HN 0.613 nan 8.270 nan 0.000 0.462 85 K N -0.500 119.934 120.400 0.058 0.000 2.361 85 K HA 0.058 4.347 4.320 -0.051 0.000 0.196 85 K C 1.361 178.010 176.600 0.081 0.000 1.039 85 K CA 0.124 56.447 56.287 0.061 0.000 1.001 85 K CB 0.245 32.777 32.500 0.054 0.000 0.795 85 K HN 0.198 nan 8.250 nan 0.000 0.495 86 L N 1.012 122.295 121.223 0.101 0.000 2.162 86 L HA -0.058 4.251 4.340 -0.051 0.000 0.205 86 L C 2.294 179.294 176.870 0.217 0.000 1.086 86 L CA 1.644 56.578 54.840 0.157 0.000 0.778 86 L CB -0.713 41.431 42.059 0.142 0.000 0.928 86 L HN 0.111 nan 8.230 nan 0.000 0.446 87 Q N -0.105 119.784 119.800 0.148 0.000 2.083 87 Q HA -0.122 4.187 4.340 -0.051 0.000 0.198 87 Q C 2.476 178.494 176.000 0.030 0.000 0.969 87 Q CA 1.960 57.808 55.803 0.075 0.000 0.838 87 Q CB -0.170 28.596 28.738 0.047 0.000 0.900 87 Q HN 0.581 nan 8.270 nan 0.000 0.436 88 S N -1.791 113.934 115.700 0.042 0.000 2.406 88 S HA 0.084 4.523 4.470 -0.051 0.000 0.228 88 S C 1.461 176.083 174.600 0.035 0.000 1.020 88 S CA 0.994 59.212 58.200 0.029 0.000 0.965 88 S CB -0.244 62.974 63.200 0.031 0.000 0.798 88 S HN 0.645 nan 8.310 nan 0.000 0.488 89 G N 0.731 109.568 108.800 0.061 0.000 2.134 89 G HA2 -0.233 3.696 3.960 -0.051 0.000 0.209 89 G HA3 -0.233 3.696 3.960 -0.051 0.000 0.209 89 G C 0.406 175.344 174.900 0.064 0.000 0.993 89 G CA 0.384 45.527 45.100 0.071 0.000 0.669 89 G HN 0.502 nan 8.290 nan 0.000 0.519 90 E N -0.801 119.434 120.200 0.059 0.000 2.077 90 E HA 0.029 4.348 4.350 -0.051 0.000 0.193 90 E C 1.013 177.651 176.600 0.063 0.000 0.989 90 E CA 0.738 57.170 56.400 0.053 0.000 0.800 90 E CB -0.011 29.716 29.700 0.045 0.000 0.746 90 E HN 0.638 nan 8.360 nan 0.000 0.452 91 L N 0.503 121.772 121.223 0.076 0.000 2.334 91 L HA 0.276 4.585 4.340 -0.051 0.000 0.273 91 L C -0.080 176.852 176.870 0.103 0.000 1.013 91 L CA -0.937 53.955 54.840 0.085 0.000 0.816 91 L CB 2.031 44.137 42.059 0.077 0.000 1.278 91 L HN -0.108 nan 8.230 nan 0.000 0.431 92 S N 0.938 116.705 115.700 0.111 0.000 2.584 92 S HA 0.284 4.723 4.470 -0.051 0.000 0.273 92 S C -1.962 172.685 174.600 0.078 0.000 1.311 92 S CA -1.234 57.037 58.200 0.119 0.000 1.034 92 S CB 1.079 64.369 63.200 0.151 0.000 0.939 92 S HN 0.419 nan 8.310 nan 0.000 0.513 93 P HA -0.170 nan 4.420 nan 0.000 0.216 93 P C 0.900 178.193 177.300 -0.012 0.000 1.157 93 P CA 1.364 64.416 63.100 -0.079 0.000 0.880 93 P CB 0.035 31.645 31.700 -0.150 0.000 0.791 94 E N -0.811 119.437 120.200 0.079 0.000 2.208 94 E HA -0.030 4.290 4.350 -0.051 0.000 0.193 94 E C 2.042 178.644 176.600 0.003 0.000 0.988 94 E CA 1.121 57.620 56.400 0.164 0.000 0.828 94 E CB -0.780 29.100 29.700 0.300 0.000 0.763 94 E HN 0.191 nan 8.360 nan 0.000 0.478 95 A N 0.563 123.454 122.820 0.119 0.000 2.067 95 A HA -0.040 4.249 4.320 -0.051 0.000 0.217 95 A C 2.271 179.882 177.584 0.046 0.000 1.156 95 A CA 1.165 53.303 52.037 0.167 0.000 0.683 95 A CB -0.300 18.845 19.000 0.242 0.000 0.808 95 A HN 0.248 nan 8.150 nan 0.000 0.455 96 V N -4.234 115.692 119.914 0.021 0.000 3.125 96 V HA 0.132 4.221 4.120 -0.051 0.000 0.249 96 V C 2.005 178.081 176.094 -0.031 0.000 1.113 96 V CA 1.126 63.442 62.300 0.026 0.000 1.106 96 V CB -0.808 31.053 31.823 0.063 0.000 0.768 96 V HN 0.353 nan 8.190 nan 0.000 0.468 97 F N 1.526 121.301 119.950 -0.292 0.000 2.084 97 F HA 0.031 4.526 4.527 -0.053 0.000 0.296 97 F C 1.900 177.367 175.800 -0.556 0.000 1.111 97 F CA 2.183 59.871 58.000 -0.520 0.000 1.224 97 F CB -0.176 38.396 39.000 -0.715 0.000 0.991 97 F HN 0.164 nan 8.300 nan 0.000 0.471 98 F N -0.020 119.674 119.950 -0.426 0.000 2.661 98 F HA -0.046 4.452 4.527 -0.049 0.000 0.298 98 F C 2.245 177.820 175.800 -0.374 0.000 1.137 98 F CA 1.048 58.724 58.000 -0.540 0.000 1.454 98 F CB -0.841 37.683 39.000 -0.794 0.000 1.103 98 F HN -0.092 nan 8.300 nan 0.000 0.577 99 T N -1.379 113.080 114.554 -0.158 0.000 2.809 99 T HA -0.172 4.147 4.350 -0.051 0.000 0.260 99 T C 1.558 176.117 174.700 -0.234 0.000 1.039 99 T CA 1.223 63.239 62.100 -0.140 0.000 1.141 99 T CB -0.486 68.292 68.868 -0.151 0.000 0.869 99 T HN 0.150 nan 8.240 nan 0.000 0.437 100 Y N 1.010 121.129 120.300 -0.302 0.000 2.314 100 Y HA 0.179 4.699 4.550 -0.050 0.000 0.293 100 Y C 2.159 177.826 175.900 -0.388 0.000 1.129 100 Y CA 0.106 57.997 58.100 -0.348 0.000 1.201 100 Y CB -0.357 37.813 38.460 -0.483 0.000 0.999 100 Y HN 0.117 nan 8.280 nan 0.000 0.541 101 L N -1.175 119.788 121.223 -0.434 0.000 2.083 101 L HA -0.175 4.134 4.340 -0.051 0.000 0.209 101 L C 2.408 179.235 176.870 -0.072 0.000 1.083 101 L CA 1.496 56.135 54.840 -0.336 0.000 0.752 101 L CB -0.946 40.714 42.059 -0.664 0.000 0.899 101 L HN 0.366 nan 8.230 nan 0.000 0.433 102 G N -0.171 108.583 108.800 -0.075 0.000 2.433 102 G HA2 -0.340 3.590 3.960 -0.051 0.000 0.216 102 G HA3 -0.340 3.590 3.960 -0.051 0.000 0.216 102 G C 1.612 176.566 174.900 0.090 0.000 1.186 102 G CA 0.900 46.009 45.100 0.016 0.000 0.779 102 G HN 0.183 nan 8.290 nan 0.000 0.543 103 K N 0.889 121.305 120.400 0.026 0.000 2.097 103 K HA 0.134 4.423 4.320 -0.051 0.000 0.206 103 K C 2.687 179.351 176.600 0.107 0.000 1.049 103 K CA 1.400 57.713 56.287 0.045 0.000 0.933 103 K CB -0.571 31.914 32.500 -0.025 0.000 0.717 103 K HN 0.198 nan 8.250 nan 0.000 0.442 104 A N -0.807 122.108 122.820 0.158 0.000 1.969 104 A HA -0.146 4.143 4.320 -0.051 0.000 0.218 104 A C 2.067 179.734 177.584 0.138 0.000 1.169 104 A CA 1.343 53.484 52.037 0.174 0.000 0.635 104 A CB -0.955 18.227 19.000 0.304 0.000 0.810 104 A HN 0.643 nan 8.150 nan 0.000 0.445 105 W N 0.545 121.845 121.300 0.000 0.000 2.418 105 W HA -0.069 4.560 4.660 -0.051 0.000 0.292 105 W C 1.981 178.493 176.519 -0.012 0.000 1.213 105 W CA 1.752 59.087 57.345 -0.017 0.000 1.283 105 W CB 0.078 29.516 29.460 -0.037 0.000 1.119 105 W HN 0.434 nan 8.180 nan 0.000 0.542 106 E N -0.309 120.011 120.200 0.201 0.000 2.028 106 E HA -0.218 4.101 4.350 -0.051 0.000 0.190 106 E C 2.301 178.859 176.600 -0.069 0.000 0.984 106 E CA 2.337 58.788 56.400 0.086 0.000 0.800 106 E CB -0.536 29.247 29.700 0.137 0.000 0.758 106 E HN 0.197 nan 8.360 nan 0.000 0.448 107 V N 0.101 119.992 119.914 -0.037 0.000 2.594 107 V HA -0.209 3.880 4.120 -0.051 0.000 0.253 107 V C 1.850 177.887 176.094 -0.096 0.000 1.069 107 V CA 2.106 64.372 62.300 -0.057 0.000 1.082 107 V CB -0.698 31.111 31.823 -0.022 0.000 0.680 107 V HN 0.164 nan 8.190 nan 0.000 0.469 108 N N 0.897 119.512 118.700 -0.140 0.000 2.244 108 N HA -0.140 4.569 4.740 -0.051 0.000 0.183 108 N C 1.791 177.167 175.510 -0.224 0.000 1.016 108 N CA 1.467 54.412 53.050 -0.175 0.000 0.866 108 N CB -0.400 37.959 38.487 -0.212 0.000 0.980 108 N HN 0.562 nan 8.380 nan 0.000 0.430 109 K N -1.313 118.899 120.400 -0.313 0.000 2.360 109 K HA 0.011 4.300 4.320 -0.051 0.000 0.201 109 K C 1.286 177.793 176.600 -0.155 0.000 1.046 109 K CA 1.083 57.201 56.287 -0.283 0.000 0.945 109 K CB -0.009 32.274 32.500 -0.361 0.000 0.750 109 K HN 0.287 nan 8.250 nan 0.000 0.464 110 G N -0.584 108.144 108.800 -0.120 0.000 3.192 110 G HA2 -0.045 3.884 3.960 -0.051 0.000 0.239 110 G HA3 -0.045 3.884 3.960 -0.051 0.000 0.239 110 G C 0.989 175.858 174.900 -0.053 0.000 1.084 110 G CA 0.298 45.353 45.100 -0.075 0.000 0.784 110 G HN 0.327 nan 8.290 nan 0.000 0.540 111 T N -3.473 111.046 114.554 -0.058 0.000 2.992 111 T HA 0.140 4.460 4.350 -0.051 0.000 0.255 111 T C 0.826 175.510 174.700 -0.028 0.000 0.938 111 T CA 0.383 62.466 62.100 -0.029 0.000 0.895 111 T CB -0.042 68.816 68.868 -0.016 0.000 1.221 111 T HN 0.134 nan 8.240 nan 0.000 0.512 112 N N 0.837 119.506 118.700 -0.052 0.000 2.725 112 N HA -0.224 4.486 4.740 -0.051 0.000 0.251 112 N C 0.889 176.376 175.510 -0.039 0.000 1.031 112 N CA 0.730 53.753 53.050 -0.044 0.000 0.720 112 N CB -1.770 36.708 38.487 -0.015 0.000 0.930 112 N HN 0.817 nan 8.380 nan 0.000 0.543 113 C N -3.576 115.693 119.300 -0.052 0.000 2.512 113 C HA 0.366 4.795 4.460 -0.051 0.000 0.276 113 C C 1.189 176.125 174.990 -0.091 0.000 1.368 113 C CA -0.335 58.651 59.018 -0.052 0.000 1.755 113 C CB -0.880 26.838 27.740 -0.037 0.000 2.008 113 C HN 0.246 nan 8.230 nan 0.000 0.511 114 V N 1.805 121.660 119.914 -0.099 0.000 2.509 114 V HA 0.345 4.434 4.120 -0.051 0.000 0.284 114 V C 0.979 176.975 176.094 -0.163 0.000 1.047 114 V CA 0.624 62.853 62.300 -0.118 0.000 0.952 114 V CB 1.329 33.106 31.823 -0.077 0.000 0.988 114 V HN 0.502 nan 8.190 nan 0.000 0.469 115 T N 1.688 116.096 114.554 -0.242 0.000 3.058 115 T HA 0.175 4.494 4.350 -0.051 0.000 0.247 115 T C 0.477 175.060 174.700 -0.196 0.000 0.987 115 T CA 0.836 62.640 62.100 -0.493 0.000 1.062 115 T CB 0.391 68.725 68.868 -0.890 0.000 1.048 115 T HN 0.829 nan 8.240 nan 0.000 0.468 116 S N 0.050 115.715 115.700 -0.059 0.000 2.550 116 S HA 0.577 5.017 4.470 -0.051 0.000 0.270 116 S C -1.691 172.953 174.600 0.074 0.000 1.145 116 S CA -0.865 57.379 58.200 0.072 0.000 0.852 116 S CB 1.301 64.590 63.200 0.149 0.000 1.119 116 S HN 0.333 nan 8.310 nan 0.000 0.465 117 Y N 2.886 123.198 120.300 0.020 0.000 2.328 117 Y HA 0.631 5.150 4.550 -0.051 0.000 0.337 117 Y C -0.679 175.215 175.900 -0.010 0.000 1.008 117 Y CA -1.161 56.940 58.100 0.001 0.000 1.129 117 Y CB 0.954 39.466 38.460 0.087 0.000 1.185 117 Y HN 0.644 nan 8.280 nan 0.000 0.476 118 L N 7.326 128.111 121.223 -0.730 0.000 2.480 118 L HA 0.064 4.373 4.340 -0.051 0.000 0.243 118 L C 1.675 178.073 176.870 -0.787 0.000 1.315 118 L CA 0.478 54.732 54.840 -0.977 0.000 1.231 118 L CB -0.896 40.457 42.059 -1.177 0.000 1.444 118 L HN 0.988 nan 8.230 nan 0.000 0.409 119 T N -1.904 112.369 114.554 -0.468 0.000 2.680 119 T HA -0.279 4.040 4.350 -0.051 0.000 0.268 119 T C 1.024 175.628 174.700 -0.160 0.000 1.033 119 T CA 1.639 63.532 62.100 -0.344 0.000 1.152 119 T CB -0.563 68.307 68.868 0.005 0.000 0.859 119 T HN 0.614 nan 8.240 nan 0.000 0.452 120 D N 1.732 122.112 120.400 -0.034 0.000 2.395 120 D HA 0.159 4.768 4.640 -0.051 0.000 0.250 120 D C 1.138 177.431 176.300 -0.012 0.000 1.203 120 D CA -0.210 53.804 54.000 0.023 0.000 0.872 120 D CB -1.219 39.637 40.800 0.093 0.000 0.941 120 D HN 0.797 nan 8.370 nan 0.000 0.504 121 C N -1.382 117.856 119.300 -0.104 0.000 2.769 121 C HA 0.407 4.836 4.460 -0.051 0.000 0.296 121 C C 1.573 176.432 174.990 -0.218 0.000 1.538 121 C CA -0.345 58.561 59.018 -0.187 0.000 2.178 121 C CB 0.249 27.842 27.740 -0.246 0.000 2.077 121 C HN 0.583 nan 8.230 nan 0.000 0.648 122 E N -1.380 118.565 120.200 -0.425 0.000 5.003 122 E HA -0.329 3.991 4.350 -0.051 0.000 0.166 122 E C 1.495 178.015 176.600 -0.132 0.000 1.244 122 E CA 2.129 58.362 56.400 -0.279 0.000 2.281 122 E CB -2.095 27.575 29.700 -0.050 0.000 1.825 122 E HN 0.985 nan 8.360 nan 0.000 0.420 123 T N -1.139 113.364 114.554 -0.084 0.000 2.915 123 T HA -0.157 4.162 4.350 -0.051 0.000 0.269 123 T C 1.709 176.363 174.700 -0.077 0.000 1.071 123 T CA 1.595 63.662 62.100 -0.055 0.000 1.132 123 T CB -0.053 68.800 68.868 -0.026 0.000 0.878 123 T HN 0.097 nan 8.240 nan 0.000 0.479 124 Q N 0.535 120.265 119.800 -0.117 0.000 2.378 124 Q HA 0.275 4.585 4.340 -0.051 0.000 0.205 124 Q C 1.901 177.795 176.000 -0.177 0.000 0.954 124 Q CA 0.775 56.504 55.803 -0.124 0.000 0.901 124 Q CB -0.599 28.076 28.738 -0.106 0.000 0.981 124 Q HN 0.595 nan 8.270 nan 0.000 0.483 125 L N -1.048 120.027 121.223 -0.248 0.000 2.162 125 L HA -0.024 4.286 4.340 -0.051 0.000 0.205 125 L C 2.042 178.843 176.870 -0.115 0.000 1.086 125 L CA 0.967 55.658 54.840 -0.248 0.000 0.778 125 L CB -0.156 41.697 42.059 -0.344 0.000 0.928 125 L HN 0.096 nan 8.230 nan 0.000 0.446 126 S N -0.542 115.116 115.700 -0.071 0.000 2.387 126 S HA -0.140 4.299 4.470 -0.051 0.000 0.226 126 S C 1.546 176.151 174.600 0.008 0.000 1.026 126 S CA 1.382 59.574 58.200 -0.012 0.000 0.972 126 S CB -0.221 62.976 63.200 -0.004 0.000 0.814 126 S HN 0.567 nan 8.310 nan 0.000 0.477 127 Q N 0.129 119.925 119.800 -0.008 0.000 2.324 127 Q HA 0.766 5.075 4.340 -0.051 0.000 0.373 127 Q C -0.129 175.879 176.000 0.013 0.000 0.909 127 Q CA -0.054 55.755 55.803 0.009 0.000 1.135 127 Q CB 0.043 28.778 28.738 -0.004 0.000 1.313 127 Q HN 0.526 nan 8.270 nan 0.000 0.417 128 A N 1.697 124.540 122.820 0.038 0.000 2.328 128 A HA 0.699 4.989 4.320 -0.051 0.000 0.284 128 A C -2.368 175.328 177.584 0.186 0.000 1.160 128 A CA -1.422 50.660 52.037 0.074 0.000 0.818 128 A CB 0.226 19.223 19.000 -0.006 0.000 1.087 128 A HN 0.407 nan 8.150 nan 0.000 0.504 129 P HA 0.088 nan 4.420 nan 0.000 0.263 129 P C 0.775 178.152 177.300 0.128 0.000 1.195 129 P CA -0.183 62.980 63.100 0.103 0.000 0.762 129 P CB 0.491 32.230 31.700 0.064 0.000 0.799 130 R N 3.340 123.813 120.500 -0.044 0.000 2.148 130 R HA -0.108 4.201 4.340 -0.051 0.000 0.223 130 R C 1.639 177.701 176.300 -0.397 0.000 1.088 130 R CA 1.677 57.536 56.100 -0.402 0.000 0.985 130 R CB -0.164 29.940 30.300 -0.327 0.000 0.880 130 R HN 0.602 nan 8.270 nan 0.000 0.451 131 Q N -0.121 119.592 119.800 -0.145 0.000 2.188 131 Q HA 0.264 4.573 4.340 -0.051 0.000 0.212 131 Q C 0.448 176.443 176.000 -0.008 0.000 0.846 131 Q CA 0.301 56.052 55.803 -0.086 0.000 0.989 131 Q CB 0.608 29.311 28.738 -0.059 0.000 1.114 131 Q HN 0.408 nan 8.270 nan 0.000 0.488 132 G N 0.319 109.148 108.800 0.049 0.000 2.398 132 G HA2 0.357 4.286 3.960 -0.051 0.000 0.246 132 G HA3 0.357 4.286 3.960 -0.051 0.000 0.246 132 G C 0.726 175.675 174.900 0.081 0.000 1.289 132 G CA -0.494 44.656 45.100 0.083 0.000 0.869 132 G HN 0.315 nan 8.290 nan 0.000 0.543 133 L N 1.678 122.924 121.223 0.037 0.000 2.549 133 L HA 0.072 4.382 4.340 -0.051 0.000 0.230 133 L C 1.454 178.334 176.870 0.016 0.000 1.162 133 L CA 1.272 56.120 54.840 0.014 0.000 0.834 133 L CB -0.706 41.339 42.059 -0.024 0.000 0.947 133 L HN 0.496 nan 8.230 nan 0.000 0.452 134 L N -2.666 118.576 121.223 0.033 0.000 3.059 134 L HA 0.088 4.397 4.340 -0.051 0.000 0.298 134 L C 1.229 178.123 176.870 0.040 0.000 1.304 134 L CA -0.271 54.581 54.840 0.019 0.000 0.855 134 L CB -0.142 41.903 42.059 -0.024 0.000 1.266 134 L HN -0.056 nan 8.230 nan 0.000 0.572 135 Y N 1.053 121.340 120.300 -0.020 0.000 2.256 135 Y HA -0.173 4.347 4.550 -0.050 0.000 0.288 135 Y C 1.889 177.779 175.900 -0.017 0.000 1.155 135 Y CA 1.958 60.048 58.100 -0.017 0.000 1.203 135 Y CB 0.279 38.734 38.460 -0.009 0.000 0.980 135 Y HN 0.306 nan 8.280 nan 0.000 0.530 136 G N -0.318 108.320 108.800 -0.271 0.000 2.662 136 G HA2 0.067 3.996 3.960 -0.051 0.000 0.212 136 G HA3 0.067 3.996 3.960 -0.051 0.000 0.212 136 G C -0.016 174.758 174.900 -0.211 0.000 1.141 136 G CA 0.288 45.181 45.100 -0.346 0.000 0.797 136 G HN 0.127 nan 8.290 nan 0.000 0.531 137 V N 3.956 123.789 119.914 -0.136 0.000 2.446 137 V HA 0.191 4.280 4.120 -0.051 0.000 0.276 137 V C -1.804 174.217 176.094 -0.121 0.000 1.030 137 V CA -1.438 60.790 62.300 -0.121 0.000 1.033 137 V CB 1.037 32.807 31.823 -0.088 0.000 0.993 137 V HN 0.145 nan 8.190 nan 0.000 0.477 138 P HA 0.303 nan 4.420 nan 0.000 0.281 138 P C -0.737 176.592 177.300 0.048 0.000 1.252 138 P CA -0.030 62.990 63.100 -0.135 0.000 0.778 138 P CB 1.419 32.778 31.700 -0.568 0.000 0.895 139 V N 0.381 120.461 119.914 0.277 0.000 2.680 139 V HA 0.747 4.836 4.120 -0.051 0.000 0.309 139 V C -0.118 176.002 176.094 0.044 0.000 1.052 139 V CA -1.059 61.329 62.300 0.146 0.000 0.908 139 V CB 1.705 33.525 31.823 -0.005 0.000 1.001 139 V HN 0.593 nan 8.190 nan 0.000 0.431 140 S N 4.441 120.065 115.700 -0.127 0.000 2.437 140 S HA 0.793 5.233 4.470 -0.051 0.000 0.305 140 S C -0.607 173.848 174.600 -0.242 0.000 1.109 140 S CA -0.717 57.271 58.200 -0.353 0.000 1.099 140 S CB 0.888 63.878 63.200 -0.350 0.000 1.004 140 S HN 0.754 nan 8.310 nan 0.000 0.475 141 L N 2.866 123.965 121.223 -0.206 0.000 2.289 141 L HA 0.480 4.790 4.340 -0.051 0.000 0.285 141 L C 0.572 177.426 176.870 -0.027 0.000 1.049 141 L CA -0.879 53.882 54.840 -0.131 0.000 0.804 141 L CB 0.950 43.031 42.059 0.037 0.000 1.195 141 L HN 0.692 nan 8.230 nan 0.000 0.428 142 K N 1.940 122.346 120.400 0.011 0.000 2.530 142 K HA -0.155 4.135 4.320 -0.051 0.000 0.280 142 K C 1.161 177.797 176.600 0.061 0.000 1.004 142 K CA 0.222 56.579 56.287 0.117 0.000 1.071 142 K CB 0.618 33.296 32.500 0.296 0.000 0.876 142 K HN 0.656 nan 8.250 nan 0.000 0.487 143 E N 3.021 123.125 120.200 -0.160 0.000 2.200 143 E HA -0.341 3.978 4.350 -0.051 0.000 0.211 143 E C 1.499 177.870 176.600 -0.381 0.000 1.048 143 E CA 2.653 58.797 56.400 -0.427 0.000 0.851 143 E CB -0.323 29.248 29.700 -0.216 0.000 0.747 143 E HN 0.800 nan 8.360 nan 0.000 0.462 144 C N -0.740 118.480 119.300 -0.132 0.000 2.456 144 C HA 0.165 4.595 4.460 -0.051 0.000 0.279 144 C C 1.084 175.990 174.990 -0.140 0.000 1.427 144 C CA -0.799 58.136 59.018 -0.138 0.000 1.778 144 C CB -1.566 26.068 27.740 -0.176 0.000 1.842 144 C HN 0.165 nan 8.230 nan 0.000 0.531 145 F N 4.026 123.952 119.950 -0.040 0.000 2.490 145 F HA 0.266 4.780 4.527 -0.021 0.000 0.357 145 F C 1.301 177.205 175.800 0.173 0.000 1.166 145 F CA 0.204 58.242 58.000 0.063 0.000 1.116 145 F CB 0.003 39.050 39.000 0.079 0.000 1.171 145 F HN 0.271 nan 8.300 nan 0.000 0.576 146 S N 4.251 120.104 115.700 0.255 0.000 2.548 146 S HA 0.360 4.799 4.470 -0.051 0.000 0.277 146 S C -1.003 173.772 174.600 0.292 0.000 1.315 146 S CA -0.466 57.890 58.200 0.261 0.000 1.050 146 S CB 0.701 63.989 63.200 0.148 0.000 0.918 146 S HN 0.579 nan 8.310 nan 0.000 0.497 147 Y N 0.774 121.175 120.300 0.168 0.000 2.421 147 Y HA 0.497 5.012 4.550 -0.059 0.000 0.339 147 Y C 0.079 176.014 175.900 0.059 0.000 0.996 147 Y CA -0.744 57.379 58.100 0.038 0.000 1.046 147 Y CB 1.095 39.452 38.460 -0.172 0.000 1.226 147 Y HN 0.977 nan 8.280 nan 0.000 0.445 148 K N 2.765 123.141 120.400 -0.039 0.000 2.436 148 K HA 0.440 4.729 4.320 -0.051 0.000 0.282 148 K C 0.996 177.740 176.600 0.241 0.000 1.044 148 K CA 0.390 56.711 56.287 0.057 0.000 1.028 148 K CB -0.568 31.888 32.500 -0.074 0.000 0.919 148 K HN 1.736 nan 8.250 nan 0.000 0.474 149 G N 1.479 110.397 108.800 0.196 0.000 2.162 149 G HA2 -0.200 3.729 3.960 -0.051 0.000 0.260 149 G HA3 -0.200 3.729 3.960 -0.051 0.000 0.260 149 G C 0.207 175.198 174.900 0.150 0.000 0.976 149 G CA 0.581 45.779 45.100 0.163 0.000 0.655 149 G HN 1.015 nan 8.290 nan 0.000 0.533 150 H N -0.150 119.003 119.070 0.139 0.000 2.771 150 H HA 0.460 4.982 4.556 -0.056 0.000 0.367 150 H C -0.892 174.540 175.328 0.174 0.000 1.172 150 H CA -0.824 55.304 56.048 0.133 0.000 1.186 150 H CB 1.704 31.514 29.762 0.080 0.000 1.790 150 H HN 0.161 nan 8.280 nan 0.000 0.556 151 D N 0.234 120.817 120.400 0.305 0.000 2.225 151 D HA 0.192 4.801 4.640 -0.051 0.000 0.249 151 D C -0.396 176.058 176.300 0.258 0.000 1.052 151 D CA -0.253 53.889 54.000 0.237 0.000 0.909 151 D CB 1.264 42.177 40.800 0.190 0.000 1.186 151 D HN 0.249 nan 8.370 nan 0.000 0.431 152 S N 0.391 116.190 115.700 0.165 0.000 2.217 152 S HA 0.214 4.654 4.470 -0.051 0.000 0.168 152 S C -0.026 174.616 174.600 0.069 0.000 1.526 152 S CA -0.813 57.434 58.200 0.079 0.000 1.150 152 S CB -0.001 63.226 63.200 0.045 0.000 1.158 152 S HN 0.497 nan 8.310 nan 0.000 0.473 153 T N 0.700 115.318 114.554 0.108 0.000 2.870 153 T HA 0.270 4.589 4.350 -0.051 0.000 0.300 153 T C 0.350 175.096 174.700 0.078 0.000 0.989 153 T CA -0.536 61.619 62.100 0.092 0.000 1.139 153 T CB 0.216 69.168 68.868 0.141 0.000 0.920 153 T HN 0.115 nan 8.240 nan 0.000 0.537 154 L N 4.086 125.321 121.223 0.020 0.000 2.968 154 L HA 0.384 4.694 4.340 -0.051 0.000 0.235 154 L C 1.837 178.728 176.870 0.035 0.000 1.323 154 L CA 0.478 55.325 54.840 0.013 0.000 1.159 154 L CB -0.802 41.240 42.059 -0.028 0.000 1.523 154 L HN 1.235 nan 8.230 nan 0.000 0.468 155 G N -0.462 108.399 108.800 0.102 0.000 2.168 155 G HA2 -0.254 3.676 3.960 -0.051 0.000 0.257 155 G HA3 -0.254 3.676 3.960 -0.051 0.000 0.257 155 G C 0.128 175.019 174.900 -0.016 0.000 0.997 155 G CA 0.045 45.199 45.100 0.091 0.000 0.708 155 G HN 0.222 nan 8.290 nan 0.000 0.520 156 L N 0.391 121.573 121.223 -0.069 0.000 2.325 156 L HA 0.629 4.939 4.340 -0.051 0.000 0.278 156 L C 1.613 178.418 176.870 -0.109 0.000 1.023 156 L CA 0.212 54.957 54.840 -0.158 0.000 0.811 156 L CB 1.352 43.269 42.059 -0.237 0.000 1.249 156 L HN 0.054 nan 8.230 nan 0.000 0.431 157 S N 1.940 117.568 115.700 -0.119 0.000 2.368 157 S HA -0.139 4.301 4.470 -0.051 0.000 0.224 157 S C 1.692 176.242 174.600 -0.083 0.000 1.029 157 S CA 0.694 58.840 58.200 -0.090 0.000 0.988 157 S CB -0.209 62.934 63.200 -0.097 0.000 0.838 157 S HN 0.568 nan 8.310 nan 0.000 0.462 158 L N 2.625 123.784 121.223 -0.106 0.000 2.103 158 L HA -0.203 4.106 4.340 -0.051 0.000 0.215 158 L C 0.989 177.830 176.870 -0.050 0.000 1.080 158 L CA 1.809 56.599 54.840 -0.084 0.000 0.764 158 L CB -0.884 41.108 42.059 -0.110 0.000 0.890 158 L HN 0.341 nan 8.230 nan 0.000 0.435 159 N N -1.694 116.980 118.700 -0.044 0.000 2.280 159 N HA -0.047 4.662 4.740 -0.051 0.000 0.192 159 N C 1.329 176.848 175.510 0.015 0.000 1.109 159 N CA 0.398 53.443 53.050 -0.008 0.000 0.855 159 N CB 0.189 38.675 38.487 -0.002 0.000 0.974 159 N HN 0.321 nan 8.380 nan 0.000 0.482 160 E N 1.422 121.622 120.200 -0.001 0.000 2.216 160 E HA -0.007 4.313 4.350 -0.051 0.000 0.192 160 E C 1.933 178.543 176.600 0.017 0.000 0.988 160 E CA 1.101 57.507 56.400 0.009 0.000 0.834 160 E CB -0.464 29.222 29.700 -0.023 0.000 0.772 160 E HN 0.265 nan 8.360 nan 0.000 0.479 161 G N 1.371 110.177 108.800 0.009 0.000 2.511 161 G HA2 -0.168 3.761 3.960 -0.051 0.000 0.216 161 G HA3 -0.168 3.761 3.960 -0.051 0.000 0.216 161 G C 0.885 175.800 174.900 0.025 0.000 1.218 161 G CA 1.487 46.595 45.100 0.012 0.000 0.788 161 G HN 0.366 nan 8.290 nan 0.000 0.560 162 M N 1.664 121.283 119.600 0.032 0.000 2.088 162 M HA 0.459 4.908 4.480 -0.051 0.000 0.346 162 M C -2.965 173.371 176.300 0.061 0.000 1.111 162 M CA -3.378 51.946 55.300 0.040 0.000 1.017 162 M CB 1.084 33.704 32.600 0.034 0.000 1.568 162 M HN -0.105 nan 8.290 nan 0.000 0.445 163 P HA 0.173 nan 4.420 nan 0.000 0.272 163 P C -0.466 176.891 177.300 0.095 0.000 1.223 163 P CA -0.108 63.049 63.100 0.094 0.000 0.784 163 P CB 0.335 32.081 31.700 0.076 0.000 0.923 164 S N -0.514 115.262 115.700 0.127 0.000 2.564 164 S HA 0.295 4.735 4.470 -0.051 0.000 0.278 164 S C 1.465 176.111 174.600 0.077 0.000 1.333 164 S CA -0.005 58.257 58.200 0.104 0.000 1.048 164 S CB 0.439 63.715 63.200 0.127 0.000 0.900 164 S HN 0.592 nan 8.310 nan 0.000 0.505 165 E N 1.325 121.554 120.200 0.048 0.000 2.208 165 E HA 0.155 4.474 4.350 -0.051 0.000 0.193 165 E C 0.852 177.458 176.600 0.010 0.000 0.988 165 E CA 1.028 57.444 56.400 0.027 0.000 0.828 165 E CB -0.095 29.616 29.700 0.017 0.000 0.763 165 E HN 0.668 nan 8.360 nan 0.000 0.478 166 S N -0.348 115.355 115.700 0.005 0.000 2.550 166 S HA 0.413 4.853 4.470 -0.051 0.000 0.270 166 S C -1.900 172.674 174.600 -0.043 0.000 1.145 166 S CA -0.845 57.338 58.200 -0.028 0.000 0.852 166 S CB 1.538 64.724 63.200 -0.024 0.000 1.119 166 S HN 0.337 nan 8.310 nan 0.000 0.465 167 D N 2.299 122.629 120.400 -0.117 0.000 2.458 167 D HA 0.163 4.773 4.640 -0.051 0.000 0.243 167 D C 0.829 177.103 176.300 -0.042 0.000 1.146 167 D CA 0.041 53.953 54.000 -0.147 0.000 0.877 167 D CB 0.170 40.816 40.800 -0.257 0.000 1.176 167 D HN 0.669 nan 8.370 nan 0.000 0.461 168 C N 0.883 120.200 119.300 0.027 0.000 2.705 168 C HA 0.172 4.602 4.460 -0.051 0.000 0.382 168 C C 2.147 177.173 174.990 0.060 0.000 1.322 168 C CA -0.889 58.168 59.018 0.064 0.000 2.290 168 C CB 0.148 27.962 27.740 0.122 0.000 2.650 168 C HN 0.489 nan 8.230 nan 0.000 0.695 169 V N 2.394 122.346 119.914 0.063 0.000 2.407 169 V HA -0.166 3.923 4.120 -0.051 0.000 0.248 169 V C 2.465 178.591 176.094 0.053 0.000 1.055 169 V CA 2.555 64.883 62.300 0.046 0.000 1.049 169 V CB -0.498 31.353 31.823 0.046 0.000 0.662 169 V HN 0.974 nan 8.190 nan 0.000 0.455 170 V N -3.074 116.900 119.914 0.100 0.000 2.591 170 V HA -0.075 4.014 4.120 -0.051 0.000 0.249 170 V C 2.209 178.333 176.094 0.050 0.000 1.053 170 V CA 1.405 63.757 62.300 0.087 0.000 1.068 170 V CB -0.587 31.328 31.823 0.153 0.000 0.689 170 V HN 0.276 nan 8.190 nan 0.000 0.462 171 V N 0.311 120.272 119.914 0.077 0.000 2.295 171 V HA -0.293 3.796 4.120 -0.051 0.000 0.246 171 V C 2.845 178.929 176.094 -0.016 0.000 1.049 171 V CA 2.521 64.842 62.300 0.036 0.000 1.024 171 V CB -0.772 31.096 31.823 0.074 0.000 0.648 171 V HN 0.555 nan 8.190 nan 0.000 0.447 172 Q N -0.402 119.381 119.800 -0.028 0.000 2.029 172 Q HA -0.260 4.050 4.340 -0.051 0.000 0.209 172 Q C 2.364 178.341 176.000 -0.038 0.000 0.999 172 Q CA 2.768 58.541 55.803 -0.049 0.000 0.857 172 Q CB -0.512 28.200 28.738 -0.044 0.000 0.926 172 Q HN 0.704 nan 8.270 nan 0.000 0.415 173 V N -1.386 118.517 119.914 -0.018 0.000 2.809 173 V HA -0.142 3.947 4.120 -0.051 0.000 0.256 173 V C 1.881 177.970 176.094 -0.008 0.000 1.080 173 V CA 1.154 63.449 62.300 -0.007 0.000 1.102 173 V CB -0.491 31.329 31.823 -0.005 0.000 0.705 173 V HN 0.300 nan 8.190 nan 0.000 0.475 174 L N -0.128 121.084 121.223 -0.018 0.000 2.046 174 L HA -0.120 4.189 4.340 -0.051 0.000 0.208 174 L C 2.906 179.766 176.870 -0.016 0.000 1.077 174 L CA 2.196 57.023 54.840 -0.022 0.000 0.747 174 L CB -0.504 41.538 42.059 -0.029 0.000 0.896 174 L HN 0.292 nan 8.230 nan 0.000 0.432 175 K N -0.100 120.287 120.400 -0.022 0.000 2.217 175 K HA -0.073 4.216 4.320 -0.051 0.000 0.202 175 K C 1.949 178.534 176.600 -0.025 0.000 1.051 175 K CA 0.871 57.141 56.287 -0.029 0.000 0.952 175 K CB -0.017 32.453 32.500 -0.050 0.000 0.736 175 K HN 0.297 nan 8.250 nan 0.000 0.453 176 L N 0.317 121.524 121.223 -0.027 0.000 2.478 176 L HA -0.094 4.216 4.340 -0.051 0.000 0.223 176 L C 1.565 178.460 176.870 0.042 0.000 1.140 176 L CA 0.707 55.534 54.840 -0.022 0.000 0.842 176 L CB 0.025 42.036 42.059 -0.079 0.000 0.953 176 L HN 0.106 nan 8.230 nan 0.000 0.452 177 Q N -0.326 119.497 119.800 0.038 0.000 2.189 177 Q HA 0.217 4.527 4.340 -0.051 0.000 0.221 177 Q C 1.044 177.074 176.000 0.051 0.000 0.848 177 Q CA 0.446 56.277 55.803 0.046 0.000 1.007 177 Q CB 0.672 29.422 28.738 0.020 0.000 1.116 177 Q HN 0.330 nan 8.270 nan 0.000 0.481 178 G N -0.731 108.101 108.800 0.053 0.000 2.148 178 G HA2 -0.300 3.630 3.960 -0.051 0.000 0.254 178 G HA3 -0.300 3.630 3.960 -0.051 0.000 0.254 178 G C 0.228 175.111 174.900 -0.027 0.000 0.981 178 G CA 0.152 45.287 45.100 0.057 0.000 0.670 178 G HN 0.614 nan 8.290 nan 0.000 0.528 179 A N -0.584 122.221 122.820 -0.025 0.000 2.322 179 A HA 0.716 5.006 4.320 -0.051 0.000 0.269 179 A C 0.376 177.939 177.584 -0.035 0.000 1.094 179 A CA 0.250 52.263 52.037 -0.040 0.000 0.807 179 A CB 1.258 20.241 19.000 -0.029 0.000 1.047 179 A HN 1.187 nan 8.150 nan 0.000 0.487 180 V N 3.557 123.458 119.914 -0.021 0.000 2.275 180 V HA 0.270 4.360 4.120 -0.051 0.000 0.272 180 V C -2.543 173.643 176.094 0.154 0.000 1.028 180 V CA -1.549 60.761 62.300 0.017 0.000 0.810 180 V CB 0.811 32.609 31.823 -0.042 0.000 1.043 180 V HN 0.712 nan 8.190 nan 0.000 0.453 181 P HA 0.179 nan 4.420 nan 0.000 0.271 181 P C 0.025 177.387 177.300 0.103 0.000 1.233 181 P CA 0.060 63.229 63.100 0.115 0.000 0.764 181 P CB 0.308 32.081 31.700 0.121 0.000 0.825 182 F N 3.243 123.143 119.950 -0.084 0.000 2.747 182 F HA 0.328 4.829 4.527 -0.042 0.000 0.305 182 F C -0.174 175.582 175.800 -0.072 0.000 1.065 182 F CA -0.315 57.677 58.000 -0.013 0.000 1.230 182 F CB -0.046 39.053 39.000 0.165 0.000 1.027 182 F HN 0.054 nan 8.300 nan 0.000 0.607 183 V N -0.857 118.609 119.914 -0.746 0.000 2.709 183 V HA 0.511 4.601 4.120 -0.051 0.000 0.308 183 V C -0.994 174.880 176.094 -0.367 0.000 1.062 183 V CA -0.920 61.061 62.300 -0.531 0.000 0.901 183 V CB 1.060 32.525 31.823 -0.598 0.000 1.003 183 V HN 0.303 nan 8.190 nan 0.000 0.425 184 H N 2.199 121.080 119.070 -0.315 0.000 2.548 184 H HA 0.632 5.176 4.556 -0.020 0.000 0.331 184 H C 0.256 175.447 175.328 -0.229 0.000 1.093 184 H CA 0.116 56.023 56.048 -0.234 0.000 1.367 184 H CB 1.593 31.248 29.762 -0.179 0.000 1.455 184 H HN 0.992 nan 8.280 nan 0.000 0.519 185 T N 0.835 115.339 114.554 -0.083 0.000 2.912 185 T HA 0.152 4.471 4.350 -0.051 0.000 0.288 185 T C 0.174 174.789 174.700 -0.141 0.000 1.030 185 T CA -1.228 60.796 62.100 -0.127 0.000 1.020 185 T CB 1.670 70.476 68.868 -0.103 0.000 1.056 185 T HN 0.435 nan 8.240 nan 0.000 0.480 186 N N 0.550 119.166 118.700 -0.140 0.000 2.479 186 N HA 0.371 5.081 4.740 -0.051 0.000 0.257 186 N C -0.369 175.120 175.510 -0.036 0.000 1.232 186 N CA -0.288 52.690 53.050 -0.120 0.000 0.920 186 N CB 0.535 38.975 38.487 -0.079 0.000 1.105 186 N HN 0.762 nan 8.380 nan 0.000 0.444 187 V N 0.497 120.412 119.914 0.002 0.000 2.914 187 V HA 0.757 4.847 4.120 -0.051 0.000 0.314 187 V C -2.452 173.686 176.094 0.072 0.000 1.084 187 V CA -2.127 60.196 62.300 0.039 0.000 0.963 187 V CB 1.786 33.629 31.823 0.034 0.000 1.025 187 V HN 0.616 nan 8.190 nan 0.000 0.432 188 P HA 0.062 nan 4.420 nan 0.000 0.271 188 P C 0.460 177.828 177.300 0.112 0.000 1.244 188 P CA 0.153 63.306 63.100 0.089 0.000 0.793 188 P CB 0.943 32.691 31.700 0.081 0.000 0.984 189 Q N 0.785 120.668 119.800 0.137 0.000 1.857 189 Q HA -0.154 4.155 4.340 -0.051 0.000 0.237 189 Q C 1.605 177.679 176.000 0.125 0.000 1.004 189 Q CA 2.193 58.083 55.803 0.146 0.000 0.881 189 Q CB -0.662 28.198 28.738 0.203 0.000 0.946 189 Q HN 0.339 nan 8.270 nan 0.000 0.421 190 S N -0.657 115.187 115.700 0.239 0.000 2.660 190 S HA 0.187 4.627 4.470 -0.051 0.000 0.227 190 S C 0.379 175.120 174.600 0.234 0.000 0.948 190 S CA 0.320 58.635 58.200 0.191 0.000 0.948 190 S CB -0.072 63.288 63.200 0.268 0.000 0.779 190 S HN 0.479 nan 8.310 nan 0.000 0.487 191 M N -1.503 118.201 119.600 0.174 0.000 2.891 191 M HA -0.232 4.217 4.480 -0.051 0.000 0.178 191 M C -0.054 176.336 176.300 0.150 0.000 0.649 191 M CA 0.657 56.038 55.300 0.135 0.000 0.675 191 M CB -1.229 31.418 32.600 0.079 0.000 2.440 191 M HN 0.223 nan 8.290 nan 0.000 0.288 192 L N 1.750 123.109 121.223 0.226 0.000 2.533 192 L HA 0.374 4.684 4.340 -0.051 0.000 0.239 192 L C 0.433 177.391 176.870 0.146 0.000 1.376 192 L CA 0.715 55.639 54.840 0.140 0.000 1.240 192 L CB 0.150 42.217 42.059 0.013 0.000 1.487 192 L HN 0.281 nan 8.230 nan 0.000 0.419 193 S N 0.042 115.819 115.700 0.128 0.000 2.543 193 S HA 0.383 4.822 4.470 -0.051 0.000 0.274 193 S C -0.110 174.554 174.600 0.106 0.000 1.149 193 S CA -0.660 57.591 58.200 0.084 0.000 0.866 193 S CB 0.627 63.861 63.200 0.057 0.000 1.111 193 S HN 0.262 nan 8.310 nan 0.000 0.457 194 F N 1.096 120.962 119.950 -0.140 0.000 2.654 194 F HA 0.575 5.068 4.527 -0.057 0.000 0.303 194 F C 0.221 175.919 175.800 -0.169 0.000 1.099 194 F CA -0.628 57.225 58.000 -0.244 0.000 1.270 194 F CB 0.057 38.641 39.000 -0.694 0.000 1.024 194 F HN 0.481 nan 8.300 nan 0.000 0.548 195 D N 0.749 120.976 120.400 -0.289 0.000 2.451 195 D HA 0.281 4.891 4.640 -0.051 0.000 0.259 195 D C -0.791 175.498 176.300 -0.019 0.000 1.201 195 D CA -0.497 53.420 54.000 -0.138 0.000 1.028 195 D CB 1.982 42.685 40.800 -0.161 0.000 1.095 195 D HN 0.247 nan 8.370 nan 0.000 0.539 196 C N 1.312 120.621 119.300 0.015 0.000 2.522 196 C HA 0.735 5.164 4.460 -0.051 0.000 0.344 196 C C -1.039 173.977 174.990 0.043 0.000 1.104 196 C CA -0.133 58.909 59.018 0.040 0.000 1.317 196 C CB -0.813 26.958 27.740 0.052 0.000 1.896 196 C HN 0.453 nan 8.230 nan 0.000 0.443 197 S N 5.037 120.770 115.700 0.056 0.000 2.614 197 S HA 0.690 5.129 4.470 -0.051 0.000 0.280 197 S C -2.032 172.620 174.600 0.086 0.000 1.111 197 S CA -0.471 57.767 58.200 0.064 0.000 0.847 197 S CB 1.191 64.415 63.200 0.040 0.000 1.079 197 S HN 1.246 nan 8.310 nan 0.000 0.452 198 N N 1.526 120.286 118.700 0.099 0.000 2.961 198 N HA 0.369 5.078 4.740 -0.051 0.000 0.245 198 N C -3.141 172.413 175.510 0.073 0.000 1.404 198 N CA -1.301 51.812 53.050 0.104 0.000 0.880 198 N CB 1.228 39.795 38.487 0.132 0.000 1.461 198 N HN 0.319 nan 8.380 nan 0.000 0.510 199 P HA 0.169 nan 4.420 nan 0.000 0.245 199 P C 0.952 178.234 177.300 -0.031 0.000 1.212 199 P CA 0.155 63.270 63.100 0.026 0.000 0.774 199 P CB 0.279 32.050 31.700 0.120 0.000 0.999 200 L N -2.508 118.660 121.223 -0.092 0.000 2.286 200 L HA 0.228 4.538 4.340 -0.051 0.000 0.203 200 L C 1.483 178.039 176.870 -0.523 0.000 1.068 200 L CA 1.639 56.265 54.840 -0.356 0.000 0.811 200 L CB -0.590 41.160 42.059 -0.515 0.000 0.989 200 L HN -0.101 nan 8.230 nan 0.000 0.467 201 F N -1.253 118.709 119.950 0.019 0.000 2.706 201 F HA 0.536 5.017 4.527 -0.076 0.000 0.313 201 F C 1.383 177.185 175.800 0.003 0.000 1.096 201 F CA 0.198 58.206 58.000 0.013 0.000 1.219 201 F CB 0.118 39.128 39.000 0.017 0.000 1.051 201 F HN 0.082 nan 8.300 nan 0.000 0.568 202 G N 1.108 109.989 108.800 0.134 0.000 2.693 202 G HA2 -0.275 3.654 3.960 -0.051 0.000 0.226 202 G HA3 -0.275 3.654 3.960 -0.051 0.000 0.226 202 G C -0.650 174.298 174.900 0.080 0.000 1.354 202 G CA -0.734 44.411 45.100 0.075 0.000 0.873 202 G HN 0.270 nan 8.290 nan 0.000 0.562 203 Q N -0.385 119.442 119.800 0.046 0.000 2.261 203 Q HA 0.597 4.906 4.340 -0.051 0.000 0.252 203 Q C -0.163 175.858 176.000 0.034 0.000 0.915 203 Q CA -0.065 55.760 55.803 0.037 0.000 0.915 203 Q CB 0.790 29.540 28.738 0.019 0.000 1.204 203 Q HN 0.605 nan 8.270 nan 0.000 0.421 204 T N 4.095 118.671 114.554 0.037 0.000 2.794 204 T HA 0.475 4.795 4.350 -0.051 0.000 0.280 204 T C -0.463 174.261 174.700 0.040 0.000 0.987 204 T CA -0.392 61.727 62.100 0.032 0.000 0.993 204 T CB 0.728 69.615 68.868 0.031 0.000 0.939 204 T HN 0.557 nan 8.240 nan 0.000 0.449 205 M N 2.823 122.445 119.600 0.036 0.000 2.598 205 M HA 0.367 4.816 4.480 -0.051 0.000 0.317 205 M C 0.549 176.895 176.300 0.077 0.000 1.201 205 M CA -0.811 54.518 55.300 0.048 0.000 0.971 205 M CB 1.128 33.745 32.600 0.029 0.000 1.657 205 M HN 0.410 nan 8.290 nan 0.000 0.470 206 N N 2.612 121.376 118.700 0.106 0.000 2.497 206 N HA 0.130 4.839 4.740 -0.051 0.000 0.268 206 N C -1.917 173.673 175.510 0.134 0.000 1.171 206 N CA -1.118 52.028 53.050 0.160 0.000 0.948 206 N CB 1.195 39.795 38.487 0.189 0.000 1.069 206 N HN 0.360 nan 8.380 nan 0.000 0.460 207 P HA -0.084 nan 4.420 nan 0.000 0.218 207 P C 0.906 178.195 177.300 -0.018 0.000 1.149 207 P CA 1.223 64.325 63.100 0.003 0.000 0.817 207 P CB 0.072 31.720 31.700 -0.086 0.000 0.785 208 W N 1.096 122.406 121.300 0.017 0.000 2.407 208 W HA 0.072 4.700 4.660 -0.054 0.000 0.305 208 W C 1.359 177.877 176.519 -0.002 0.000 1.196 208 W CA 0.851 58.201 57.345 0.008 0.000 1.311 208 W CB -0.303 29.162 29.460 0.008 0.000 1.135 208 W HN -0.128 nan 8.180 nan 0.000 0.514 209 K N -0.397 120.138 120.400 0.226 0.000 2.535 209 K HA 0.225 4.514 4.320 -0.051 0.000 0.250 209 K C 0.393 177.037 176.600 0.074 0.000 0.948 209 K CA -0.229 56.127 56.287 0.114 0.000 0.796 209 K CB 1.804 34.355 32.500 0.086 0.000 1.216 209 K HN -0.346 nan 8.250 nan 0.000 0.432 210 S N 0.553 116.280 115.700 0.045 0.000 2.481 210 S HA -0.106 4.333 4.470 -0.051 0.000 0.231 210 S C 1.411 176.024 174.600 0.021 0.000 0.996 210 S CA 1.373 59.590 58.200 0.029 0.000 0.942 210 S CB -0.015 63.193 63.200 0.014 0.000 0.768 210 S HN 0.749 nan 8.310 nan 0.000 0.520 211 S N 0.557 116.267 115.700 0.016 0.000 2.603 211 S HA 0.170 4.609 4.470 -0.051 0.000 0.220 211 S C 0.447 175.046 174.600 -0.000 0.000 0.967 211 S CA -0.021 58.181 58.200 0.004 0.000 0.920 211 S CB 0.041 63.239 63.200 -0.003 0.000 0.773 211 S HN 0.139 nan 8.310 nan 0.000 0.529 212 K N 1.491 121.899 120.400 0.014 0.000 2.208 212 K HA 0.428 4.717 4.320 -0.051 0.000 0.247 212 K C -0.355 176.276 176.600 0.051 0.000 0.953 212 K CA -0.457 55.833 56.287 0.006 0.000 0.837 212 K CB 1.756 34.248 32.500 -0.013 0.000 1.131 212 K HN 0.154 nan 8.250 nan 0.000 0.431 213 S N 1.847 117.590 115.700 0.072 0.000 2.562 213 S HA 0.116 4.555 4.470 -0.051 0.000 0.281 213 S C -1.575 173.198 174.600 0.289 0.000 1.333 213 S CA -1.197 57.104 58.200 0.168 0.000 1.052 213 S CB 0.391 63.725 63.200 0.222 0.000 0.884 213 S HN 0.301 nan 8.310 nan 0.000 0.506 214 P HA 0.209 nan 4.420 nan 0.000 0.237 214 P C 0.827 178.323 177.300 0.326 0.000 1.178 214 P CA 0.908 64.174 63.100 0.277 0.000 0.766 214 P CB -0.631 31.169 31.700 0.167 0.000 0.876 215 G N -1.119 107.875 108.800 0.323 0.000 2.627 215 G HA2 0.312 4.241 3.960 -0.051 0.000 0.214 215 G HA3 0.312 4.241 3.960 -0.051 0.000 0.214 215 G C -0.325 174.608 174.900 0.056 0.000 1.331 215 G CA -0.521 44.573 45.100 -0.010 0.000 0.891 215 G HN 0.607 nan 8.290 nan 0.000 0.539 216 G N -2.702 106.138 108.800 0.067 0.000 2.340 216 G HA2 0.646 4.575 3.960 -0.051 0.000 0.300 216 G HA3 0.646 4.575 3.960 -0.051 0.000 0.300 216 G C 0.555 175.558 174.900 0.171 0.000 1.488 216 G CA 0.899 46.061 45.100 0.103 0.000 0.878 216 G HN 2.242 nan 8.290 nan 0.000 0.618 217 S N -1.339 114.446 115.700 0.142 0.000 2.575 217 S HA 0.163 4.603 4.470 -0.051 0.000 0.215 217 S C 1.180 175.828 174.600 0.080 0.000 0.966 217 S CA 0.978 59.239 58.200 0.101 0.000 0.911 217 S CB 0.167 63.425 63.200 0.096 0.000 0.780 217 S HN 0.897 nan 8.310 nan 0.000 0.514 218 S N 1.739 117.488 115.700 0.082 0.000 2.994 218 S HA 0.373 4.813 4.470 -0.051 0.000 0.247 218 S C 1.446 176.081 174.600 0.059 0.000 1.323 218 S CA -0.131 58.110 58.200 0.068 0.000 1.246 218 S CB 0.018 63.263 63.200 0.075 0.000 0.994 218 S HN 0.658 nan 8.310 nan 0.000 0.484 219 G N 1.901 110.737 108.800 0.060 0.000 2.421 219 G HA2 -0.024 3.905 3.960 -0.051 0.000 0.217 219 G HA3 -0.024 3.905 3.960 -0.051 0.000 0.217 219 G C 1.319 176.251 174.900 0.053 0.000 1.143 219 G CA 0.465 45.605 45.100 0.067 0.000 0.784 219 G HN 0.610 nan 8.290 nan 0.000 0.541 220 G N 0.252 109.067 108.800 0.025 0.000 2.443 220 G HA2 -0.056 3.873 3.960 -0.051 0.000 0.219 220 G HA3 -0.056 3.873 3.960 -0.051 0.000 0.219 220 G C 1.637 176.532 174.900 -0.008 0.000 1.131 220 G CA 0.776 45.874 45.100 -0.004 0.000 0.775 220 G HN 0.328 nan 8.290 nan 0.000 0.547 221 E N 0.647 120.849 120.200 0.004 0.000 2.076 221 E HA -0.019 4.300 4.350 -0.051 0.000 0.190 221 E C 2.789 179.405 176.600 0.028 0.000 0.979 221 E CA 0.909 57.308 56.400 -0.002 0.000 0.807 221 E CB -0.674 29.026 29.700 0.000 0.000 0.761 221 E HN 0.324 nan 8.360 nan 0.000 0.454 222 G N 1.096 109.929 108.800 0.056 0.000 2.402 222 G HA2 -0.199 3.731 3.960 -0.051 0.000 0.216 222 G HA3 -0.199 3.731 3.960 -0.051 0.000 0.216 222 G C 1.705 176.671 174.900 0.110 0.000 1.162 222 G CA 1.128 46.283 45.100 0.092 0.000 0.777 222 G HN 0.367 nan 8.290 nan 0.000 0.539 223 A N 0.106 122.982 122.820 0.093 0.000 1.969 223 A HA 0.158 4.448 4.320 -0.051 0.000 0.218 223 A C 2.305 179.920 177.584 0.052 0.000 1.169 223 A CA 1.469 53.557 52.037 0.085 0.000 0.635 223 A CB -0.301 18.739 19.000 0.066 0.000 0.810 223 A HN 0.384 nan 8.150 nan 0.000 0.445 224 L N -0.336 120.908 121.223 0.035 0.000 2.072 224 L HA 0.023 4.332 4.340 -0.051 0.000 0.205 224 L C 2.164 179.068 176.870 0.058 0.000 1.079 224 L CA 1.605 56.464 54.840 0.031 0.000 0.752 224 L CB -0.327 41.732 42.059 -0.001 0.000 0.906 224 L HN 0.405 nan 8.230 nan 0.000 0.436 225 I N -0.490 120.115 120.570 0.059 0.000 2.333 225 I HA -0.019 4.120 4.170 -0.051 0.000 0.246 225 I C 1.447 177.617 176.117 0.088 0.000 1.106 225 I CA 0.537 61.879 61.300 0.069 0.000 1.411 225 I CB -0.906 37.125 38.000 0.052 0.000 1.082 225 I HN 0.319 nan 8.210 nan 0.000 0.420 226 G N 0.214 109.079 108.800 0.110 0.000 2.484 226 G HA2 0.188 4.118 3.960 -0.051 0.000 0.235 226 G HA3 0.188 4.118 3.960 -0.051 0.000 0.235 226 G C 0.875 175.788 174.900 0.021 0.000 1.282 226 G CA 0.440 45.610 45.100 0.117 0.000 0.857 226 G HN 0.585 nan 8.290 nan 0.000 0.571 227 S N -0.620 115.035 115.700 -0.075 0.000 3.127 227 S HA -0.120 4.320 4.470 -0.051 0.000 0.281 227 S C 1.929 176.513 174.600 -0.028 0.000 1.293 227 S CA 1.350 59.483 58.200 -0.112 0.000 1.156 227 S CB -1.629 61.494 63.200 -0.130 0.000 1.389 227 S HN 3.027 nan 8.310 nan 0.000 0.672 228 G N -0.066 108.755 108.800 0.035 0.000 2.136 228 G HA2 -0.019 3.911 3.960 -0.051 0.000 0.242 228 G HA3 -0.019 3.911 3.960 -0.051 0.000 0.242 228 G C 1.267 176.279 174.900 0.186 0.000 0.989 228 G CA 0.781 45.939 45.100 0.096 0.000 0.682 228 G HN 1.957 nan 8.290 nan 0.000 0.522 229 G N -0.982 107.919 108.800 0.169 0.000 2.848 229 G HA2 0.425 4.354 3.960 -0.051 0.000 0.208 229 G HA3 0.425 4.354 3.960 -0.051 0.000 0.208 229 G C 0.451 175.562 174.900 0.353 0.000 1.152 229 G CA 1.354 46.594 45.100 0.234 0.000 0.789 229 G HN 1.259 nan 8.290 nan 0.000 0.531 230 S N -0.945 114.907 115.700 0.253 0.000 2.548 230 S HA 0.460 4.900 4.470 -0.051 0.000 0.278 230 S C -2.209 172.323 174.600 -0.113 0.000 1.150 230 S CA -0.730 57.494 58.200 0.041 0.000 0.907 230 S CB 2.251 65.517 63.200 0.111 0.000 1.108 230 S HN -0.086 nan 8.310 nan 0.000 0.459 231 P HA 0.209 nan 4.420 nan 0.000 0.224 231 P C -0.207 177.030 177.300 -0.106 0.000 1.157 231 P CA 0.354 63.317 63.100 -0.227 0.000 0.799 231 P CB 0.266 31.751 31.700 -0.358 0.000 0.809 232 L N -1.492 119.673 121.223 -0.096 0.000 2.545 232 L HA 0.761 5.070 4.340 -0.051 0.000 0.258 232 L C -1.019 175.814 176.870 -0.062 0.000 0.942 232 L CA -0.513 54.286 54.840 -0.067 0.000 0.855 232 L CB 1.913 43.924 42.059 -0.079 0.000 1.374 232 L HN 0.048 nan 8.230 nan 0.000 0.411 233 G N 2.872 111.626 108.800 -0.076 0.000 2.692 233 G HA2 0.613 4.542 3.960 -0.051 0.000 0.291 233 G HA3 0.613 4.542 3.960 -0.051 0.000 0.291 233 G C -2.346 172.463 174.900 -0.151 0.000 1.423 233 G CA -0.675 44.353 45.100 -0.120 0.000 0.843 233 G HN 0.411 nan 8.290 nan 0.000 0.486 234 L N 0.724 121.783 121.223 -0.273 0.000 2.325 234 L HA 0.820 5.129 4.340 -0.051 0.000 0.279 234 L C 0.993 177.749 176.870 -0.189 0.000 1.054 234 L CA -0.404 54.231 54.840 -0.342 0.000 0.804 234 L CB 1.087 42.693 42.059 -0.755 0.000 1.200 234 L HN 0.826 nan 8.230 nan 0.000 0.436 235 G N 0.466 109.302 108.800 0.059 0.000 3.140 235 G HA2 0.806 4.735 3.960 -0.051 0.000 0.271 235 G HA3 0.806 4.735 3.960 -0.051 0.000 0.271 235 G C -0.977 174.129 174.900 0.343 0.000 1.370 235 G CA -0.214 45.026 45.100 0.233 0.000 1.014 235 G HN 0.611 nan 8.290 nan 0.000 0.541 236 T N -2.222 112.459 114.554 0.211 0.000 2.901 236 T HA 0.687 5.006 4.350 -0.051 0.000 0.293 236 T C -1.797 172.943 174.700 0.067 0.000 1.084 236 T CA -0.766 61.402 62.100 0.113 0.000 1.008 236 T CB 2.661 71.538 68.868 0.015 0.000 1.170 236 T HN 0.499 nan 8.240 nan 0.000 0.509 237 D N 0.289 120.711 120.400 0.038 0.000 2.591 237 D HA 0.274 4.883 4.640 -0.051 0.000 0.222 237 D C -0.592 175.710 176.300 0.003 0.000 1.360 237 D CA -0.481 53.531 54.000 0.020 0.000 0.967 237 D CB 1.845 42.650 40.800 0.009 0.000 1.456 237 D HN 0.624 nan 8.370 nan 0.000 0.588 238 I N 2.042 122.609 120.570 -0.005 0.000 4.154 238 I HA 0.338 4.477 4.170 -0.051 0.000 0.334 238 I C 1.052 177.147 176.117 -0.037 0.000 1.371 238 I CA 0.181 61.464 61.300 -0.028 0.000 1.110 238 I CB 0.755 38.726 38.000 -0.048 0.000 1.085 238 I HN 0.512 nan 8.210 nan 0.000 0.398 239 G N -0.709 108.084 108.800 -0.012 0.000 4.189 239 G HA2 0.335 4.264 3.960 -0.051 0.000 0.220 239 G HA3 0.335 4.264 3.960 -0.051 0.000 0.220 239 G C 0.703 175.618 174.900 0.025 0.000 1.071 239 G CA 0.383 45.482 45.100 -0.002 0.000 0.854 239 G HN 0.351 nan 8.290 nan 0.000 0.426 240 G N -0.040 108.734 108.800 -0.042 0.000 2.234 240 G HA2 -0.150 3.780 3.960 -0.051 0.000 0.153 240 G HA3 -0.150 3.780 3.960 -0.051 0.000 0.153 240 G C 1.041 175.850 174.900 -0.152 0.000 1.013 240 G CA 0.647 45.572 45.100 -0.293 0.000 0.712 240 G HN 0.470 nan 8.290 nan 0.000 0.491 241 S N -0.243 115.487 115.700 0.051 0.000 2.555 241 S HA 0.203 4.642 4.470 -0.051 0.000 0.230 241 S C 2.049 176.680 174.600 0.052 0.000 0.978 241 S CA 0.960 59.227 58.200 0.112 0.000 0.934 241 S CB -0.010 63.253 63.200 0.105 0.000 0.766 241 S HN 0.489 nan 8.310 nan 0.000 0.533 242 I N 0.297 120.865 120.570 -0.002 0.000 2.867 242 I HA 0.059 4.198 4.170 -0.051 0.000 0.265 242 I C 2.322 178.408 176.117 -0.052 0.000 1.162 242 I CA 0.562 61.860 61.300 -0.005 0.000 1.471 242 I CB 0.162 38.167 38.000 0.009 0.000 1.123 242 I HN 0.090 nan 8.210 nan 0.000 0.440 243 R N -0.443 119.967 120.500 -0.149 0.000 2.075 243 R HA 0.044 4.353 4.340 -0.051 0.000 0.220 243 R C 2.164 178.300 176.300 -0.273 0.000 1.118 243 R CA 0.972 56.938 56.100 -0.223 0.000 0.986 243 R CB -0.393 29.725 30.300 -0.304 0.000 0.884 243 R HN 0.059 nan 8.270 nan 0.000 0.439 244 F N 1.358 121.182 119.950 -0.211 0.000 2.045 244 F HA -0.187 4.305 4.527 -0.057 0.000 0.297 244 F C -0.598 174.946 175.800 -0.428 0.000 1.114 244 F CA 1.498 59.212 58.000 -0.477 0.000 1.207 244 F CB -1.803 36.852 39.000 -0.576 0.000 0.964 244 F HN 0.060 nan 8.300 nan 0.000 0.486 245 P HA -0.044 nan 4.420 nan 0.000 0.223 245 P C 1.656 179.005 177.300 0.083 0.000 1.151 245 P CA 1.482 64.606 63.100 0.041 0.000 0.787 245 P CB -0.045 31.691 31.700 0.060 0.000 0.788 246 S N -0.038 115.687 115.700 0.041 0.000 2.355 246 S HA -0.090 4.349 4.470 -0.051 0.000 0.222 246 S C 2.057 176.712 174.600 0.092 0.000 1.031 246 S CA 1.477 59.710 58.200 0.055 0.000 0.993 246 S CB -0.949 62.259 63.200 0.013 0.000 0.859 246 S HN 0.160 nan 8.310 nan 0.000 0.453 247 A N 0.033 122.913 122.820 0.100 0.000 2.067 247 A HA 0.128 4.417 4.320 -0.051 0.000 0.217 247 A C 1.676 179.445 177.584 0.307 0.000 1.156 247 A CA 0.879 53.014 52.037 0.165 0.000 0.683 247 A CB -0.439 18.661 19.000 0.168 0.000 0.808 247 A HN 0.445 nan 8.150 nan 0.000 0.455 248 F N -1.062 118.924 119.950 0.061 0.000 2.262 248 F HA 0.016 4.515 4.527 -0.045 0.000 0.292 248 F C 2.325 178.131 175.800 0.011 0.000 1.081 248 F CA -0.118 57.910 58.000 0.047 0.000 1.355 248 F CB -0.871 38.204 39.000 0.125 0.000 1.069 248 F HN 0.202 nan 8.300 nan 0.000 0.506 249 C N -0.386 119.098 119.300 0.307 0.000 2.618 249 C HA 0.444 4.874 4.460 -0.051 0.000 0.264 249 C C 1.566 176.776 174.990 0.366 0.000 1.334 249 C CA 0.445 59.671 59.018 0.347 0.000 1.731 249 C CB -1.237 26.692 27.740 0.315 0.000 1.852 249 C HN 0.713 nan 8.230 nan 0.000 0.566 250 G N 2.026 110.921 108.800 0.158 0.000 2.326 250 G HA2 -0.207 3.723 3.960 -0.051 0.000 0.286 250 G HA3 -0.207 3.723 3.960 -0.051 0.000 0.286 250 G C -0.303 174.710 174.900 0.188 0.000 1.096 250 G CA 0.578 45.744 45.100 0.110 0.000 1.003 250 G HN 0.752 nan 8.290 nan 0.000 0.503 251 I N -3.759 116.895 120.570 0.139 0.000 3.445 251 I HA 0.873 5.012 4.170 -0.051 0.000 0.303 251 I C 0.518 176.674 176.117 0.065 0.000 1.129 251 I CA -1.678 59.688 61.300 0.110 0.000 0.989 251 I CB 1.518 39.585 38.000 0.112 0.000 1.314 251 I HN 0.094 nan 8.210 nan 0.000 0.488 252 C N 0.652 119.982 119.300 0.049 0.000 2.349 252 C HA 0.978 5.407 4.460 -0.051 0.000 0.361 252 C C 0.388 175.390 174.990 0.020 0.000 1.189 252 C CA 0.130 59.164 59.018 0.028 0.000 2.155 252 C CB 0.735 28.491 27.740 0.025 0.000 2.336 252 C HN 1.074 nan 8.230 nan 0.000 0.540 253 G N 0.852 109.658 108.800 0.010 0.000 2.498 253 G HA2 0.506 4.435 3.960 -0.051 0.000 0.301 253 G HA3 0.506 4.435 3.960 -0.051 0.000 0.301 253 G C -2.122 172.779 174.900 0.001 0.000 1.577 253 G CA -0.397 44.706 45.100 0.005 0.000 0.868 253 G HN 0.812 nan 8.290 nan 0.000 0.599 254 L N 0.873 122.100 121.223 0.007 0.000 2.410 254 L HA 0.803 5.113 4.340 -0.051 0.000 0.270 254 L C -0.327 176.554 176.870 0.018 0.000 0.983 254 L CA -0.857 53.991 54.840 0.014 0.000 0.822 254 L CB 1.974 44.049 42.059 0.027 0.000 1.285 254 L HN 0.456 nan 8.230 nan 0.000 0.409 255 K N 6.659 127.067 120.400 0.013 0.000 2.266 255 K HA 0.479 4.768 4.320 -0.051 0.000 0.274 255 K C -2.514 174.097 176.600 0.017 0.000 1.090 255 K CA -1.790 54.508 56.287 0.018 0.000 0.925 255 K CB 0.941 33.447 32.500 0.010 0.000 1.225 255 K HN 0.402 nan 8.250 nan 0.000 0.458 256 P HA 0.050 nan 4.420 nan 0.000 0.273 256 P C -0.673 176.600 177.300 -0.046 0.000 1.250 256 P CA -0.335 62.769 63.100 0.007 0.000 0.793 256 P CB 0.329 32.058 31.700 0.047 0.000 1.011 257 T N 0.418 114.890 114.554 -0.136 0.000 2.946 257 T HA 0.082 4.402 4.350 -0.051 0.000 0.311 257 T C 1.942 176.510 174.700 -0.220 0.000 1.063 257 T CA 0.674 62.593 62.100 -0.303 0.000 1.139 257 T CB -0.017 68.409 68.868 -0.738 0.000 0.994 257 T HN 0.591 nan 8.240 nan 0.000 0.547 258 G N 1.742 110.429 108.800 -0.189 0.000 2.503 258 G HA2 -0.279 3.650 3.960 -0.051 0.000 0.221 258 G HA3 -0.279 3.650 3.960 -0.051 0.000 0.221 258 G C 1.062 175.958 174.900 -0.006 0.000 1.131 258 G CA 0.558 45.615 45.100 -0.072 0.000 0.756 258 G HN 0.805 nan 8.290 nan 0.000 0.572 259 N N -0.634 118.063 118.700 -0.005 0.000 2.321 259 N HA 0.114 4.823 4.740 -0.051 0.000 0.242 259 N C 1.782 177.526 175.510 0.390 0.000 1.141 259 N CA -0.376 52.797 53.050 0.206 0.000 0.864 259 N CB 0.154 38.829 38.487 0.313 0.000 1.100 259 N HN 0.051 nan 8.380 nan 0.000 0.510 260 R N 0.069 120.740 120.500 0.284 0.000 2.093 260 R HA 0.223 4.532 4.340 -0.051 0.000 0.224 260 R C 0.115 176.597 176.300 0.304 0.000 1.101 260 R CA 1.098 57.430 56.100 0.388 0.000 0.979 260 R CB 0.175 30.639 30.300 0.273 0.000 0.877 260 R HN 0.167 nan 8.270 nan 0.000 0.441 261 L N -0.223 121.128 121.223 0.214 0.000 2.370 261 L HA 0.394 4.703 4.340 -0.051 0.000 0.266 261 L C -0.280 176.685 176.870 0.158 0.000 1.002 261 L CA -1.022 53.926 54.840 0.180 0.000 0.818 261 L CB 1.948 44.095 42.059 0.147 0.000 1.325 261 L HN -0.029 nan 8.230 nan 0.000 0.418 262 S N 0.930 116.716 115.700 0.144 0.000 2.580 262 S HA 0.200 4.639 4.470 -0.051 0.000 0.274 262 S C 0.426 175.086 174.600 0.100 0.000 1.329 262 S CA -0.193 58.079 58.200 0.120 0.000 1.036 262 S CB 0.670 63.934 63.200 0.108 0.000 0.919 262 S HN 0.670 nan 8.310 nan 0.000 0.515 263 K N 2.601 123.045 120.400 0.072 0.000 2.414 263 K HA 0.179 4.469 4.320 -0.051 0.000 0.204 263 K C 1.664 178.277 176.600 0.022 0.000 1.026 263 K CA -0.098 56.211 56.287 0.037 0.000 1.108 263 K CB 0.179 32.698 32.500 0.031 0.000 0.855 263 K HN 0.535 nan 8.250 nan 0.000 0.517 264 S N 0.458 116.179 115.700 0.036 0.000 2.387 264 S HA -0.132 4.307 4.470 -0.051 0.000 0.230 264 S C 1.393 175.995 174.600 0.003 0.000 1.035 264 S CA 1.629 59.841 58.200 0.020 0.000 1.014 264 S CB 0.005 63.223 63.200 0.030 0.000 0.836 264 S HN 0.545 nan 8.310 nan 0.000 0.466 265 G N 0.386 109.194 108.800 0.012 0.000 4.432 265 G HA2 0.477 4.407 3.960 -0.051 0.000 0.294 265 G HA3 0.477 4.407 3.960 -0.051 0.000 0.294 265 G C -0.651 174.248 174.900 -0.001 0.000 1.141 265 G CA -0.419 44.686 45.100 0.009 0.000 0.895 265 G HN 0.243 nan 8.290 nan 0.000 0.548 266 L N 0.744 121.945 121.223 -0.037 0.000 2.349 266 L HA 0.449 4.758 4.340 -0.051 0.000 0.275 266 L C 0.345 177.217 176.870 0.003 0.000 1.115 266 L CA -0.431 54.336 54.840 -0.121 0.000 0.820 266 L CB 1.491 43.427 42.059 -0.204 0.000 1.135 266 L HN -0.015 nan 8.230 nan 0.000 0.445 267 K N 1.927 122.313 120.400 -0.024 0.000 2.248 267 K HA 0.628 4.917 4.320 -0.051 0.000 0.281 267 K C -0.101 176.494 176.600 -0.009 0.000 1.054 267 K CA -0.070 56.256 56.287 0.064 0.000 0.903 267 K CB 0.916 33.438 32.500 0.036 0.000 1.077 267 K HN 0.671 nan 8.250 nan 0.000 0.474 268 G N 1.183 109.956 108.800 -0.046 0.000 2.735 268 G HA2 0.315 4.244 3.960 -0.051 0.000 0.301 268 G HA3 0.315 4.244 3.960 -0.051 0.000 0.301 268 G C 0.422 175.063 174.900 -0.431 0.000 1.279 268 G CA -0.403 44.543 45.100 -0.257 0.000 1.019 268 G HN 0.854 nan 8.290 nan 0.000 0.497 269 C N -1.733 117.377 119.300 -0.316 0.000 2.689 269 C HA 0.511 4.940 4.460 -0.051 0.000 0.336 269 C C 0.954 175.791 174.990 -0.254 0.000 1.304 269 C CA 0.351 59.218 59.018 -0.252 0.000 1.860 269 C CB -0.748 26.941 27.740 -0.084 0.000 2.405 269 C HN 0.769 nan 8.230 nan 0.000 0.557 270 V N 0.983 120.772 119.914 -0.209 0.000 2.370 270 V HA 0.686 4.776 4.120 -0.051 0.000 0.283 270 V C -1.498 174.452 176.094 -0.241 0.000 1.023 270 V CA -0.406 61.805 62.300 -0.149 0.000 0.857 270 V CB 0.623 32.466 31.823 0.034 0.000 0.985 270 V HN 0.394 nan 8.190 nan 0.000 0.443 271 Y N 3.984 124.310 120.300 0.043 0.000 2.387 271 Y HA 0.793 5.334 4.550 -0.015 0.000 0.336 271 Y C 1.216 177.135 175.900 0.031 0.000 1.067 271 Y CA -0.180 57.937 58.100 0.028 0.000 1.114 271 Y CB 2.099 40.573 38.460 0.023 0.000 1.208 271 Y HN 1.113 nan 8.280 nan 0.000 0.458 272 G N 1.364 110.289 108.800 0.209 0.000 2.148 272 G HA2 -0.196 3.733 3.960 -0.051 0.000 0.203 272 G HA3 -0.196 3.733 3.960 -0.051 0.000 0.203 272 G C -0.266 174.689 174.900 0.092 0.000 0.993 272 G CA -0.661 44.516 45.100 0.130 0.000 0.661 272 G HN 0.457 nan 8.290 nan 0.000 0.518 273 Q N 1.031 120.876 119.800 0.076 0.000 2.322 273 Q HA 0.563 4.873 4.340 -0.051 0.000 0.256 273 Q C 1.269 177.290 176.000 0.034 0.000 0.960 273 Q CA 0.709 56.535 55.803 0.039 0.000 0.934 273 Q CB 1.161 29.900 28.738 0.002 0.000 1.200 273 Q HN 0.568 nan 8.270 nan 0.000 0.435 274 T N -0.921 113.655 114.554 0.036 0.000 2.986 274 T HA 0.405 4.725 4.350 -0.051 0.000 0.264 274 T C 0.463 175.177 174.700 0.023 0.000 0.964 274 T CA 0.130 62.251 62.100 0.035 0.000 0.895 274 T CB 0.483 69.382 68.868 0.052 0.000 1.163 274 T HN 0.427 nan 8.240 nan 0.000 0.517 275 A N 2.105 124.934 122.820 0.016 0.000 2.320 275 A HA 0.675 4.964 4.320 -0.051 0.000 0.287 275 A C 0.297 177.860 177.584 -0.035 0.000 1.181 275 A CA -0.463 51.573 52.037 -0.002 0.000 0.831 275 A CB -0.267 18.734 19.000 0.002 0.000 1.102 275 A HN 1.142 nan 8.150 nan 0.000 0.513 276 V N 2.632 122.519 119.914 -0.044 0.000 3.411 276 V HA -0.153 3.937 4.120 -0.051 0.000 0.484 276 V C -0.432 175.635 176.094 -0.045 0.000 0.682 276 V CA 0.414 62.677 62.300 -0.062 0.000 2.023 276 V CB -1.375 30.391 31.823 -0.096 0.000 2.468 276 V HN 0.987 nan 8.190 nan 0.000 0.502 277 Q N 3.400 123.178 119.800 -0.036 0.000 2.290 277 Q HA 0.587 4.897 4.340 -0.051 0.000 0.259 277 Q C -0.197 175.790 176.000 -0.022 0.000 0.941 277 Q CA -0.962 54.827 55.803 -0.023 0.000 0.912 277 Q CB 2.278 31.001 28.738 -0.025 0.000 1.244 277 Q HN 0.710 nan 8.270 nan 0.000 0.441 278 L N 2.583 123.798 121.223 -0.013 0.000 2.410 278 L HA 0.186 4.495 4.340 -0.051 0.000 0.273 278 L C -0.665 176.207 176.870 0.003 0.000 1.152 278 L CA 0.620 55.455 54.840 -0.008 0.000 0.855 278 L CB 0.625 42.680 42.059 -0.007 0.000 1.129 278 L HN 0.535 nan 8.230 nan 0.000 0.463 279 S N 5.362 121.068 115.700 0.011 0.000 2.548 279 S HA 0.752 5.191 4.470 -0.051 0.000 0.286 279 S C -0.614 174.022 174.600 0.060 0.000 1.098 279 S CA -0.952 57.267 58.200 0.031 0.000 0.930 279 S CB 1.479 64.692 63.200 0.021 0.000 1.070 279 S HN 0.683 nan 8.310 nan 0.000 0.480 280 L N -0.172 121.112 121.223 0.101 0.000 2.375 280 L HA 1.077 5.386 4.340 -0.051 0.000 0.268 280 L C 0.236 177.200 176.870 0.157 0.000 1.058 280 L CA -0.518 54.438 54.840 0.193 0.000 0.803 280 L CB 0.796 43.049 42.059 0.322 0.000 1.212 280 L HN 0.906 nan 8.230 nan 0.000 0.451 281 G N -0.016 108.876 108.800 0.154 0.000 2.489 281 G HA2 0.492 4.422 3.960 -0.051 0.000 0.291 281 G HA3 0.492 4.422 3.960 -0.051 0.000 0.291 281 G C -3.336 171.581 174.900 0.028 0.000 1.487 281 G CA -0.839 44.306 45.100 0.075 0.000 0.795 281 G HN 0.534 nan 8.290 nan 0.000 0.513 282 P HA 0.448 nan 4.420 nan 0.000 0.275 282 P C -0.715 176.575 177.300 -0.017 0.000 1.228 282 P CA -0.096 62.986 63.100 -0.031 0.000 0.786 282 P CB 1.174 32.852 31.700 -0.038 0.000 0.927 283 M N 1.824 121.408 119.600 -0.027 0.000 2.327 283 M HA 0.696 5.146 4.480 -0.051 0.000 0.298 283 M C -0.465 175.828 176.300 -0.011 0.000 1.065 283 M CA -0.344 54.951 55.300 -0.009 0.000 0.916 283 M CB 2.687 35.286 32.600 -0.001 0.000 1.630 283 M HN 0.490 nan 8.290 nan 0.000 0.442 284 A N 1.990 124.813 122.820 0.006 0.000 2.493 284 A HA 0.613 4.903 4.320 -0.051 0.000 0.300 284 A C -0.268 177.336 177.584 0.034 0.000 1.152 284 A CA -0.686 51.356 52.037 0.010 0.000 0.643 284 A CB 1.309 20.305 19.000 -0.007 0.000 1.316 284 A HN 0.876 nan 8.150 nan 0.000 0.469 285 R N -0.450 120.074 120.500 0.041 0.000 2.161 285 R HA 0.072 4.382 4.340 -0.051 0.000 0.213 285 R C -0.725 175.608 176.300 0.054 0.000 1.055 285 R CA 1.649 57.785 56.100 0.060 0.000 0.996 285 R CB 0.006 30.347 30.300 0.068 0.000 0.901 285 R HN 0.847 nan 8.270 nan 0.000 0.456 286 D N -2.241 118.184 120.400 0.043 0.000 2.581 286 D HA 0.035 4.644 4.640 -0.051 0.000 0.232 286 D C 0.540 176.865 176.300 0.042 0.000 1.143 286 D CA -0.704 53.322 54.000 0.043 0.000 0.881 286 D CB 1.527 42.356 40.800 0.047 0.000 1.500 286 D HN -0.181 nan 8.370 nan 0.000 0.458 287 V N -0.238 119.708 119.914 0.054 0.000 2.913 287 V HA -0.127 3.962 4.120 -0.051 0.000 0.260 287 V C 1.246 177.399 176.094 0.100 0.000 1.098 287 V CA 1.507 63.849 62.300 0.071 0.000 1.121 287 V CB -0.683 31.191 31.823 0.086 0.000 0.714 287 V HN 0.532 nan 8.190 nan 0.000 0.487 288 E N 1.286 121.556 120.200 0.116 0.000 2.106 288 E HA -0.081 4.238 4.350 -0.051 0.000 0.192 288 E C 2.387 179.003 176.600 0.028 0.000 0.984 288 E CA 1.648 58.126 56.400 0.130 0.000 0.806 288 E CB -0.332 29.446 29.700 0.129 0.000 0.750 288 E HN 0.732 nan 8.360 nan 0.000 0.458 289 S N 0.472 116.179 115.700 0.011 0.000 2.402 289 S HA -0.049 4.391 4.470 -0.051 0.000 0.229 289 S C 1.904 176.469 174.600 -0.059 0.000 1.021 289 S CA 0.634 58.819 58.200 -0.025 0.000 0.974 289 S CB -0.159 63.034 63.200 -0.013 0.000 0.800 289 S HN 0.170 nan 8.310 nan 0.000 0.484 290 L N 1.254 122.449 121.223 -0.047 0.000 2.027 290 L HA -0.073 4.237 4.340 -0.051 0.000 0.206 290 L C 2.860 179.648 176.870 -0.137 0.000 1.074 290 L CA 1.287 56.089 54.840 -0.064 0.000 0.745 290 L CB -0.809 41.236 42.059 -0.024 0.000 0.898 290 L HN 0.336 nan 8.230 nan 0.000 0.433 291 A N -0.138 122.561 122.820 -0.203 0.000 1.969 291 A HA -0.141 4.149 4.320 -0.051 0.000 0.218 291 A C 2.321 179.567 177.584 -0.563 0.000 1.169 291 A CA 1.127 52.890 52.037 -0.456 0.000 0.635 291 A CB -0.578 17.993 19.000 -0.715 0.000 0.810 291 A HN 0.357 nan 8.150 nan 0.000 0.445 292 L N -0.887 120.151 121.223 -0.309 0.000 2.017 292 L HA -0.232 4.078 4.340 -0.051 0.000 0.208 292 L C 2.762 179.482 176.870 -0.250 0.000 1.073 292 L CA 1.811 56.500 54.840 -0.251 0.000 0.745 292 L CB -0.339 41.646 42.059 -0.123 0.000 0.894 292 L HN 0.603 nan 8.230 nan 0.000 0.432 293 C N -0.354 118.829 119.300 -0.194 0.000 2.446 293 C HA -0.160 4.269 4.460 -0.051 0.000 0.277 293 C C 2.695 177.584 174.990 -0.169 0.000 1.275 293 C CA 0.541 59.468 59.018 -0.151 0.000 1.727 293 C CB -0.851 26.823 27.740 -0.111 0.000 2.010 293 C HN 0.517 nan 8.230 nan 0.000 0.486 294 L N 1.063 122.157 121.223 -0.215 0.000 2.046 294 L HA -0.143 4.166 4.340 -0.051 0.000 0.208 294 L C 2.730 179.461 176.870 -0.231 0.000 1.077 294 L CA 2.378 57.122 54.840 -0.160 0.000 0.747 294 L CB -0.789 41.224 42.059 -0.076 0.000 0.896 294 L HN 0.536 nan 8.230 nan 0.000 0.432 295 K N -0.013 120.029 120.400 -0.596 0.000 2.148 295 K HA -0.115 4.175 4.320 -0.051 0.000 0.204 295 K C 1.905 178.375 176.600 -0.216 0.000 1.050 295 K CA 1.269 57.250 56.287 -0.510 0.000 0.942 295 K CB -0.108 31.883 32.500 -0.850 0.000 0.724 295 K HN 0.230 nan 8.250 nan 0.000 0.446 296 A N 1.133 123.833 122.820 -0.200 0.000 1.930 296 A HA -0.044 4.245 4.320 -0.051 0.000 0.217 296 A C 2.015 179.534 177.584 -0.108 0.000 1.175 296 A CA 0.888 52.851 52.037 -0.123 0.000 0.627 296 A CB -0.399 18.539 19.000 -0.102 0.000 0.815 296 A HN 0.280 nan 8.150 nan 0.000 0.443 297 L N -0.725 120.434 121.223 -0.106 0.000 2.056 297 L HA 0.008 4.317 4.340 -0.051 0.000 0.207 297 L C 0.793 177.569 176.870 -0.157 0.000 1.078 297 L CA 1.047 55.830 54.840 -0.094 0.000 0.749 297 L CB -0.952 41.080 42.059 -0.045 0.000 0.901 297 L HN 0.220 nan 8.230 nan 0.000 0.433 298 L N 0.958 122.120 121.223 -0.101 0.000 2.391 298 L HA 0.107 4.416 4.340 -0.051 0.000 0.249 298 L C 0.193 176.934 176.870 -0.215 0.000 1.308 298 L CA -0.186 54.595 54.840 -0.097 0.000 1.209 298 L CB -1.323 40.872 42.059 0.226 0.000 1.401 298 L HN 0.367 nan 8.230 nan 0.000 0.416 299 C N -2.246 116.725 119.300 -0.550 0.000 2.971 299 C HA 0.771 5.200 4.460 -0.051 0.000 0.310 299 C C 1.661 176.328 174.990 -0.539 0.000 1.285 299 C CA -0.272 58.514 59.018 -0.386 0.000 1.593 299 C CB 1.267 28.833 27.740 -0.291 0.000 2.076 299 C HN 0.609 nan 8.230 nan 0.000 0.472 300 E N -0.765 119.297 120.200 -0.230 0.000 2.331 300 E HA -0.191 4.128 4.350 -0.051 0.000 0.199 300 E C 1.452 178.019 176.600 -0.055 0.000 1.008 300 E CA 2.077 58.445 56.400 -0.053 0.000 0.843 300 E CB -0.904 28.783 29.700 -0.023 0.000 0.761 300 E HN 0.878 nan 8.360 nan 0.000 0.507 301 H N -0.873 118.134 119.070 -0.106 0.000 2.372 301 H HA 0.118 4.643 4.556 -0.052 0.000 0.301 301 H C 2.282 177.542 175.328 -0.113 0.000 1.065 301 H CA 1.197 57.194 56.048 -0.084 0.000 1.364 301 H CB -0.449 29.266 29.762 -0.079 0.000 1.406 301 H HN 0.428 nan 8.280 nan 0.000 0.521 302 L N 0.231 121.368 121.223 -0.143 0.000 2.056 302 L HA -0.122 4.187 4.340 -0.051 0.000 0.207 302 L C 1.500 178.323 176.870 -0.079 0.000 1.078 302 L CA 1.177 55.902 54.840 -0.192 0.000 0.749 302 L CB -0.366 41.468 42.059 -0.376 0.000 0.901 302 L HN -0.031 nan 8.230 nan 0.000 0.433 303 F N -1.012 118.970 119.950 0.053 0.000 2.771 303 F HA -0.024 4.471 4.527 -0.052 0.000 0.299 303 F C 2.136 177.958 175.800 0.036 0.000 1.177 303 F CA 0.782 58.804 58.000 0.037 0.000 1.450 303 F CB -1.338 37.673 39.000 0.019 0.000 1.114 303 F HN 0.053 nan 8.300 nan 0.000 0.587 304 T N -0.793 113.865 114.554 0.173 0.000 3.087 304 T HA 0.257 4.576 4.350 -0.051 0.000 0.237 304 T C 0.818 175.567 174.700 0.081 0.000 0.990 304 T CA -0.023 62.149 62.100 0.120 0.000 1.160 304 T CB -0.084 68.855 68.868 0.118 0.000 0.923 304 T HN -0.124 nan 8.240 nan 0.000 0.442 305 L N 3.493 124.755 121.223 0.064 0.000 2.462 305 L HA 0.292 4.602 4.340 -0.051 0.000 0.283 305 L C -0.529 176.377 176.870 0.059 0.000 1.166 305 L CA -0.068 54.798 54.840 0.043 0.000 0.964 305 L CB -0.385 41.686 42.059 0.021 0.000 1.294 305 L HN 0.261 nan 8.230 nan 0.000 0.449 306 D N 2.522 122.961 120.400 0.065 0.000 3.948 306 D HA -0.074 4.536 4.640 -0.051 0.000 0.244 306 D C -2.060 174.309 176.300 0.114 0.000 1.039 306 D CA -0.289 53.760 54.000 0.081 0.000 1.099 306 D CB 0.211 41.061 40.800 0.084 0.000 0.877 306 D HN 0.232 nan 8.370 nan 0.000 0.401 307 P HA -0.007 nan 4.420 nan 0.000 0.242 307 P C 1.345 178.684 177.300 0.064 0.000 1.197 307 P CA 1.036 64.186 63.100 0.082 0.000 0.765 307 P CB 0.105 31.836 31.700 0.052 0.000 0.936 308 T N -4.667 109.931 114.554 0.073 0.000 3.067 308 T HA 0.053 4.372 4.350 -0.051 0.000 0.261 308 T C 0.756 175.506 174.700 0.083 0.000 1.110 308 T CA 0.164 62.302 62.100 0.064 0.000 1.113 308 T CB -0.662 68.244 68.868 0.063 0.000 0.917 308 T HN -0.178 nan 8.240 nan 0.000 0.499 309 V N 5.004 124.993 119.914 0.124 0.000 2.455 309 V HA 0.294 4.383 4.120 -0.051 0.000 0.273 309 V C -2.082 174.042 176.094 0.049 0.000 1.045 309 V CA -2.225 60.173 62.300 0.163 0.000 0.976 309 V CB 0.827 32.816 31.823 0.277 0.000 0.993 309 V HN 0.334 nan 8.190 nan 0.000 0.475 310 P HA 0.079 nan 4.420 nan 0.000 0.260 310 P C -2.411 174.577 177.300 -0.520 0.000 1.185 310 P CA -1.213 61.718 63.100 -0.282 0.000 0.763 310 P CB -0.069 31.373 31.700 -0.429 0.000 0.776 311 P HA 0.081 nan 4.420 nan 0.000 0.235 311 P C -0.298 176.331 177.300 -1.117 0.000 1.720 311 P CA 0.336 62.467 63.100 -1.615 0.000 1.003 311 P CB -0.206 30.980 31.700 -0.857 0.000 1.968 312 L N 4.123 124.873 121.223 -0.789 0.000 2.261 312 L HA 0.347 4.656 4.340 -0.051 0.000 0.289 312 L C -1.697 175.204 176.870 0.053 0.000 1.059 312 L CA -2.219 52.461 54.840 -0.267 0.000 0.816 312 L CB 0.983 42.949 42.059 -0.155 0.000 1.191 312 L HN 0.031 nan 8.230 nan 0.000 0.431 313 P HA -0.015 nan 4.420 nan 0.000 0.274 313 P C -0.590 176.833 177.300 0.205 0.000 1.237 313 P CA -0.393 62.843 63.100 0.226 0.000 0.793 313 P CB 0.641 32.422 31.700 0.135 0.000 0.977 314 F N 2.823 122.837 119.950 0.108 0.000 2.502 314 F HA 0.094 4.590 4.527 -0.052 0.000 0.361 314 F C 1.144 176.979 175.800 0.059 0.000 1.157 314 F CA -0.056 57.983 58.000 0.065 0.000 1.096 314 F CB 0.054 39.071 39.000 0.029 0.000 1.141 314 F HN 0.104 nan 8.300 nan 0.000 0.579 315 R N 5.034 125.385 120.500 -0.249 0.000 2.357 315 R HA -0.032 4.277 4.340 -0.051 0.000 0.330 315 R C 1.199 177.391 176.300 -0.180 0.000 1.102 315 R CA -0.032 55.974 56.100 -0.157 0.000 0.974 315 R CB 0.411 30.625 30.300 -0.144 0.000 1.002 315 R HN 0.707 nan 8.270 nan 0.000 0.463 316 E N 2.605 122.856 120.200 0.085 0.000 2.077 316 E HA -0.226 4.093 4.350 -0.051 0.000 0.193 316 E C 1.651 178.342 176.600 0.151 0.000 0.989 316 E CA 1.526 58.068 56.400 0.237 0.000 0.800 316 E CB 0.237 30.090 29.700 0.255 0.000 0.746 316 E HN 0.570 nan 8.360 nan 0.000 0.452 317 E N 0.162 120.406 120.200 0.074 0.000 2.409 317 E HA -0.116 4.203 4.350 -0.051 0.000 0.198 317 E C 1.753 178.369 176.600 0.026 0.000 1.024 317 E CA 0.930 57.357 56.400 0.046 0.000 0.861 317 E CB -0.050 29.668 29.700 0.029 0.000 0.788 317 E HN 0.248 nan 8.360 nan 0.000 0.521 318 V N 0.212 120.133 119.914 0.011 0.000 2.599 318 V HA -0.144 3.945 4.120 -0.051 0.000 0.245 318 V C 2.150 178.281 176.094 0.062 0.000 1.046 318 V CA 1.199 63.504 62.300 0.007 0.000 1.065 318 V CB -0.833 30.965 31.823 -0.041 0.000 0.703 318 V HN 0.205 nan 8.190 nan 0.000 0.464 319 Y N 1.788 122.050 120.300 -0.063 0.000 2.163 319 Y HA -0.099 4.422 4.550 -0.049 0.000 0.288 319 Y C 2.610 178.550 175.900 0.067 0.000 1.136 319 Y CA 1.486 59.598 58.100 0.019 0.000 1.147 319 Y CB -0.176 38.345 38.460 0.103 0.000 0.987 319 Y HN 0.018 nan 8.280 nan 0.000 0.509 320 R N 0.437 120.907 120.500 -0.049 0.000 2.237 320 R HA -0.031 4.278 4.340 -0.051 0.000 0.219 320 R C 1.170 177.413 176.300 -0.095 0.000 1.080 320 R CA 0.609 56.624 56.100 -0.141 0.000 0.995 320 R CB -0.804 29.492 30.300 -0.008 0.000 0.875 320 R HN 0.189 nan 8.270 nan 0.000 0.462 321 S N 0.712 116.387 115.700 -0.042 0.000 2.563 321 S HA -0.004 4.435 4.470 -0.051 0.000 0.284 321 S C 1.075 175.669 174.600 -0.010 0.000 1.331 321 S CA 0.299 58.491 58.200 -0.013 0.000 1.047 321 S CB 0.587 63.793 63.200 0.009 0.000 0.859 321 S HN 0.438 nan 8.310 nan 0.000 0.514 322 S N 1.391 117.096 115.700 0.007 0.000 2.847 322 S HA 0.297 4.736 4.470 -0.051 0.000 0.254 322 S C 0.520 175.143 174.600 0.039 0.000 1.039 322 S CA 0.039 58.254 58.200 0.024 0.000 1.113 322 S CB -0.056 63.146 63.200 0.003 0.000 1.092 322 S HN 0.942 nan 8.310 nan 0.000 0.620 323 R N 3.044 123.565 120.500 0.034 0.000 2.522 323 R HA 0.555 4.864 4.340 -0.051 0.000 0.284 323 R C -2.512 173.830 176.300 0.071 0.000 1.032 323 R CA -1.127 54.992 56.100 0.030 0.000 1.049 323 R CB -1.609 28.703 30.300 0.021 0.000 0.956 323 R HN 0.520 nan 8.270 nan 0.000 0.422 324 P HA 0.068 nan 4.420 nan 0.000 0.266 324 P C -0.860 176.540 177.300 0.166 0.000 1.193 324 P CA 0.134 63.288 63.100 0.090 0.000 0.770 324 P CB 0.385 32.054 31.700 -0.053 0.000 0.836 325 L N 2.710 124.124 121.223 0.318 0.000 2.346 325 L HA 0.503 4.813 4.340 -0.051 0.000 0.274 325 L C 0.896 177.776 176.870 0.016 0.000 1.007 325 L CA -0.947 53.941 54.840 0.081 0.000 0.818 325 L CB 1.617 43.650 42.059 -0.042 0.000 1.284 325 L HN 0.158 nan 8.230 nan 0.000 0.424 326 R N 1.851 122.304 120.500 -0.077 0.000 2.248 326 R HA 0.442 4.751 4.340 -0.051 0.000 0.328 326 R C -1.100 175.046 176.300 -0.257 0.000 1.067 326 R CA -0.478 55.545 56.100 -0.129 0.000 0.924 326 R CB 1.005 31.220 30.300 -0.141 0.000 1.013 326 R HN 0.307 nan 8.270 nan 0.000 0.454 327 V N 2.934 122.715 119.914 -0.221 0.000 2.350 327 V HA 0.294 4.383 4.120 -0.051 0.000 0.285 327 V C 0.760 176.742 176.094 -0.187 0.000 1.014 327 V CA -0.860 61.254 62.300 -0.311 0.000 0.831 327 V CB 1.648 33.318 31.823 -0.255 0.000 1.000 327 V HN 0.945 nan 8.190 nan 0.000 0.433 328 G N 4.255 112.848 108.800 -0.345 0.000 2.441 328 G HA2 0.415 4.345 3.960 -0.051 0.000 0.243 328 G HA3 0.415 4.345 3.960 -0.051 0.000 0.243 328 G C -0.885 174.080 174.900 0.107 0.000 1.281 328 G CA 0.086 45.080 45.100 -0.177 0.000 0.854 328 G HN 0.971 nan 8.290 nan 0.000 0.560 329 Y N 0.742 121.111 120.300 0.115 0.000 2.504 329 Y HA 0.684 5.203 4.550 -0.052 0.000 0.344 329 Y C -1.282 174.762 175.900 0.240 0.000 1.023 329 Y CA -2.148 56.011 58.100 0.100 0.000 1.020 329 Y CB 1.281 39.772 38.460 0.051 0.000 1.282 329 Y HN 0.786 nan 8.280 nan 0.000 0.454 330 Y N 0.296 120.718 120.300 0.203 0.000 2.545 330 Y HA 0.673 5.191 4.550 -0.052 0.000 0.348 330 Y C 0.029 176.099 175.900 0.284 0.000 1.002 330 Y CA -1.255 56.927 58.100 0.136 0.000 1.039 330 Y CB 2.084 40.600 38.460 0.093 0.000 1.271 330 Y HN 0.722 nan 8.280 nan 0.000 0.467 331 E N 0.462 120.922 120.200 0.435 0.000 2.216 331 E HA 0.063 4.382 4.350 -0.051 0.000 0.192 331 E C -0.008 176.833 176.600 0.401 0.000 0.973 331 E CA 0.912 57.519 56.400 0.345 0.000 0.851 331 E CB 0.606 30.477 29.700 0.285 0.000 0.804 331 E HN 0.676 nan 8.360 nan 0.000 0.477 332 T N -0.268 114.582 114.554 0.494 0.000 2.883 332 T HA 0.090 4.410 4.350 -0.051 0.000 0.301 332 T C -1.040 173.925 174.700 0.442 0.000 1.158 332 T CA -0.753 61.684 62.100 0.560 0.000 1.007 332 T CB 1.444 70.576 68.868 0.440 0.000 1.186 332 T HN 0.007 nan 8.240 nan 0.000 0.499 333 D N 1.283 121.869 120.400 0.310 0.000 2.349 333 D HA 0.101 4.710 4.640 -0.051 0.000 0.214 333 D C 0.466 176.734 176.300 -0.052 0.000 1.063 333 D CA -0.102 53.843 54.000 -0.092 0.000 0.847 333 D CB -0.744 39.861 40.800 -0.325 0.000 0.933 333 D HN 0.774 nan 8.370 nan 0.000 0.513 334 N N -1.517 117.192 118.700 0.015 0.000 2.708 334 N HA -0.314 4.395 4.740 -0.051 0.000 0.251 334 N C -0.224 175.233 175.510 -0.088 0.000 1.123 334 N CA 1.245 54.150 53.050 -0.241 0.000 0.739 334 N CB -1.863 36.435 38.487 -0.314 0.000 1.113 334 N HN 0.420 nan 8.380 nan 0.000 0.561 335 Y N -0.739 119.622 120.300 0.101 0.000 2.817 335 Y HA 0.263 4.782 4.550 -0.051 0.000 0.257 335 Y C 0.394 176.577 175.900 0.472 0.000 1.055 335 Y CA 0.605 58.874 58.100 0.281 0.000 1.319 335 Y CB 0.792 39.304 38.460 0.088 0.000 1.481 335 Y HN -0.029 nan 8.280 nan 0.000 0.471 336 T N 3.058 117.925 114.554 0.522 0.000 2.744 336 T HA 0.282 4.601 4.350 -0.051 0.000 0.291 336 T C -0.443 174.597 174.700 0.567 0.000 0.957 336 T CA -0.455 61.951 62.100 0.510 0.000 1.002 336 T CB 0.803 69.972 68.868 0.502 0.000 0.919 336 T HN 0.221 nan 8.240 nan 0.000 0.468 337 M N 5.516 125.311 119.600 0.325 0.000 2.238 337 M HA 0.234 4.683 4.480 -0.051 0.000 0.350 337 M C -2.260 174.237 176.300 0.329 0.000 1.321 337 M CA -1.289 54.048 55.300 0.063 0.000 1.097 337 M CB 0.480 32.700 32.600 -0.632 0.000 1.713 337 M HN 0.224 nan 8.290 nan 0.000 0.455 338 P HA 0.057 nan 4.420 nan 0.000 0.266 338 P C -1.111 176.375 177.300 0.309 0.000 1.195 338 P CA -0.187 63.051 63.100 0.229 0.000 0.768 338 P CB 0.394 32.188 31.700 0.156 0.000 0.838 339 S N 4.172 120.007 115.700 0.225 0.000 2.560 339 S HA 0.101 4.540 4.470 -0.051 0.000 0.284 339 S C -1.424 173.241 174.600 0.109 0.000 1.327 339 S CA -0.729 57.558 58.200 0.145 0.000 1.055 339 S CB -0.211 62.985 63.200 -0.007 0.000 0.868 339 S HN 0.357 nan 8.310 nan 0.000 0.506 340 P HA -0.143 nan 4.420 nan 0.000 0.218 340 P C 1.431 178.747 177.300 0.026 0.000 1.146 340 P CA 1.706 64.844 63.100 0.063 0.000 0.813 340 P CB -0.310 31.425 31.700 0.057 0.000 0.778 341 A N -0.629 122.193 122.820 0.005 0.000 1.902 341 A HA -0.177 4.113 4.320 -0.051 0.000 0.217 341 A C 2.400 179.972 177.584 -0.021 0.000 1.181 341 A CA 1.891 53.915 52.037 -0.021 0.000 0.623 341 A CB -1.367 17.604 19.000 -0.048 0.000 0.818 341 A HN 0.117 nan 8.150 nan 0.000 0.443 342 M N -1.429 118.164 119.600 -0.012 0.000 2.077 342 M HA -0.118 4.332 4.480 -0.051 0.000 0.261 342 M C 2.402 178.695 176.300 -0.013 0.000 1.070 342 M CA 1.937 57.220 55.300 -0.029 0.000 1.125 342 M CB -0.179 32.398 32.600 -0.038 0.000 1.339 342 M HN 0.526 nan 8.290 nan 0.000 0.409 343 R N 0.103 120.617 120.500 0.023 0.000 2.091 343 R HA -0.227 4.083 4.340 -0.051 0.000 0.238 343 R C 2.223 178.539 176.300 0.028 0.000 1.136 343 R CA 2.085 58.213 56.100 0.046 0.000 0.959 343 R CB -0.349 29.993 30.300 0.071 0.000 0.856 343 R HN 0.281 nan 8.270 nan 0.000 0.437 344 R N 0.107 120.615 120.500 0.014 0.000 2.094 344 R HA -0.169 4.141 4.340 -0.051 0.000 0.239 344 R C 2.173 178.466 176.300 -0.012 0.000 1.137 344 R CA 1.956 58.057 56.100 0.002 0.000 0.943 344 R CB -0.495 29.803 30.300 -0.004 0.000 0.850 344 R HN 0.355 nan 8.270 nan 0.000 0.433 345 A N 1.606 124.413 122.820 -0.022 0.000 1.902 345 A HA -0.159 4.131 4.320 -0.051 0.000 0.217 345 A C 2.196 179.758 177.584 -0.036 0.000 1.181 345 A CA 1.306 53.322 52.037 -0.035 0.000 0.623 345 A CB -0.747 18.227 19.000 -0.045 0.000 0.818 345 A HN 0.442 nan 8.150 nan 0.000 0.443 346 L N 0.062 121.269 121.223 -0.026 0.000 1.976 346 L HA -0.165 4.145 4.340 -0.051 0.000 0.209 346 L C 2.412 179.260 176.870 -0.035 0.000 1.071 346 L CA 2.313 57.141 54.840 -0.020 0.000 0.746 346 L CB -0.871 41.196 42.059 0.014 0.000 0.890 346 L HN 0.477 nan 8.230 nan 0.000 0.432 347 I N -0.159 120.398 120.570 -0.023 0.000 2.361 347 I HA -0.303 3.836 4.170 -0.051 0.000 0.251 347 I C 2.488 178.569 176.117 -0.060 0.000 1.133 347 I CA 1.069 62.340 61.300 -0.048 0.000 1.413 347 I CB -0.273 37.723 38.000 -0.006 0.000 1.073 347 I HN 0.371 nan 8.210 nan 0.000 0.424 348 E N 0.082 120.257 120.200 -0.041 0.000 2.028 348 E HA -0.227 4.092 4.350 -0.051 0.000 0.191 348 E C 2.204 178.774 176.600 -0.049 0.000 0.988 348 E CA 1.829 58.205 56.400 -0.039 0.000 0.799 348 E CB -0.128 29.553 29.700 -0.031 0.000 0.755 348 E HN 0.331 nan 8.360 nan 0.000 0.447 349 T N 0.538 115.059 114.554 -0.055 0.000 2.995 349 T HA -0.098 4.222 4.350 -0.051 0.000 0.269 349 T C 1.724 176.386 174.700 -0.063 0.000 1.091 349 T CA 0.885 62.949 62.100 -0.061 0.000 1.128 349 T CB 0.006 68.829 68.868 -0.075 0.000 0.891 349 T HN 0.016 nan 8.240 nan 0.000 0.492 350 K N 0.423 120.765 120.400 -0.097 0.000 1.991 350 K HA -0.180 4.109 4.320 -0.051 0.000 0.212 350 K C 2.364 178.894 176.600 -0.117 0.000 1.049 350 K CA 1.798 57.984 56.287 -0.169 0.000 0.932 350 K CB -0.230 32.066 32.500 -0.341 0.000 0.717 350 K HN 0.371 nan 8.250 nan 0.000 0.441 351 Q N -0.165 119.580 119.800 -0.092 0.000 2.135 351 Q HA -0.118 4.191 4.340 -0.051 0.000 0.204 351 Q C 2.244 178.230 176.000 -0.023 0.000 0.981 351 Q CA 1.495 57.266 55.803 -0.055 0.000 0.856 351 Q CB 0.088 28.800 28.738 -0.043 0.000 0.902 351 Q HN 0.190 nan 8.270 nan 0.000 0.425 352 R N -0.067 120.423 120.500 -0.017 0.000 2.075 352 R HA -0.066 4.243 4.340 -0.051 0.000 0.232 352 R C 2.239 178.566 176.300 0.045 0.000 1.126 352 R CA 0.972 57.075 56.100 0.005 0.000 0.963 352 R CB -0.547 29.749 30.300 -0.006 0.000 0.858 352 R HN 0.327 nan 8.270 nan 0.000 0.435 353 L N 0.608 121.870 121.223 0.066 0.000 2.093 353 L HA -0.120 4.190 4.340 -0.051 0.000 0.208 353 L C 2.308 179.303 176.870 0.207 0.000 1.085 353 L CA 1.178 56.133 54.840 0.192 0.000 0.755 353 L CB -0.328 41.812 42.059 0.135 0.000 0.904 353 L HN 0.196 nan 8.230 nan 0.000 0.435 354 E N 0.011 120.261 120.200 0.083 0.000 2.118 354 E HA -0.232 4.087 4.350 -0.051 0.000 0.195 354 E C 2.096 178.708 176.600 0.021 0.000 0.992 354 E CA 1.179 57.605 56.400 0.043 0.000 0.804 354 E CB -0.086 29.615 29.700 0.002 0.000 0.741 354 E HN 0.509 nan 8.360 nan 0.000 0.458 355 A N 0.291 123.122 122.820 0.018 0.000 2.208 355 A HA 0.203 4.492 4.320 -0.051 0.000 0.209 355 A C 1.964 179.542 177.584 -0.009 0.000 1.161 355 A CA 0.883 52.921 52.037 0.001 0.000 0.782 355 A CB 0.100 19.100 19.000 0.001 0.000 0.816 355 A HN 0.235 nan 8.150 nan 0.000 0.477 356 A N -1.996 120.824 122.820 -0.000 0.000 2.308 356 A HA 0.458 4.748 4.320 -0.051 0.000 0.217 356 A C 1.630 179.084 177.584 -0.216 0.000 1.216 356 A CA 1.118 53.117 52.037 -0.063 0.000 0.864 356 A CB -0.386 18.626 19.000 0.021 0.000 0.902 356 A HN 1.635 nan 8.150 nan 0.000 0.499 357 G N -1.223 107.476 108.800 -0.168 0.000 2.201 357 G HA2 -0.201 3.728 3.960 -0.051 0.000 0.212 357 G HA3 -0.201 3.728 3.960 -0.051 0.000 0.212 357 G C 0.045 174.833 174.900 -0.186 0.000 0.994 357 G CA 0.131 45.124 45.100 -0.179 0.000 0.644 357 G HN 0.728 nan 8.290 nan 0.000 0.508 358 H N 0.758 119.834 119.070 0.010 0.000 2.790 358 H HA 0.509 5.035 4.556 -0.050 0.000 0.358 358 H C 0.721 176.049 175.328 0.001 0.000 1.103 358 H CA 1.213 57.267 56.048 0.009 0.000 1.426 358 H CB 1.086 30.870 29.762 0.037 0.000 1.424 358 H HN 0.176 nan 8.280 nan 0.000 0.599 359 T N 3.521 118.145 114.554 0.116 0.000 2.770 359 T HA 0.303 4.622 4.350 -0.051 0.000 0.283 359 T C -0.830 173.905 174.700 0.057 0.000 0.988 359 T CA -0.959 61.176 62.100 0.059 0.000 0.957 359 T CB 0.089 68.973 68.868 0.026 0.000 0.930 359 T HN 0.282 nan 8.240 nan 0.000 0.443 360 L N 6.605 127.875 121.223 0.079 0.000 2.280 360 L HA 0.551 4.861 4.340 -0.051 0.000 0.287 360 L C -0.501 176.533 176.870 0.273 0.000 1.023 360 L CA -0.594 54.328 54.840 0.135 0.000 0.819 360 L CB 1.190 43.261 42.059 0.020 0.000 1.212 360 L HN 0.734 nan 8.230 nan 0.000 0.420 361 I N 5.587 126.317 120.570 0.266 0.000 2.406 361 I HA 0.349 4.488 4.170 -0.051 0.000 0.290 361 I C -2.140 173.972 176.117 -0.008 0.000 0.999 361 I CA -2.041 59.345 61.300 0.144 0.000 1.124 361 I CB 1.893 39.901 38.000 0.013 0.000 1.289 361 I HN 0.337 nan 8.210 nan 0.000 0.441 362 P HA 0.040 nan 4.420 nan 0.000 0.260 362 P C -1.072 176.185 177.300 -0.071 0.000 1.185 362 P CA 0.465 63.324 63.100 -0.401 0.000 0.763 362 P CB 0.029 31.608 31.700 -0.202 0.000 0.776 363 F N 5.099 124.911 119.950 -0.229 0.000 2.630 363 F HA 0.527 5.023 4.527 -0.052 0.000 0.325 363 F C -2.054 173.775 175.800 0.048 0.000 1.184 363 F CA -1.010 56.948 58.000 -0.070 0.000 1.011 363 F CB 1.208 40.165 39.000 -0.072 0.000 1.268 363 F HN 0.067 nan 8.300 nan 0.000 0.480 364 L N 8.522 129.358 121.223 -0.645 0.000 2.409 364 L HA 0.703 5.012 4.340 -0.051 0.000 0.272 364 L C -2.513 173.869 176.870 -0.814 0.000 0.980 364 L CA -2.025 52.429 54.840 -0.644 0.000 0.826 364 L CB 1.827 43.634 42.059 -0.421 0.000 1.268 364 L HN 0.341 nan 8.230 nan 0.000 0.407 365 P HA 0.006 nan 4.420 nan 0.000 0.259 365 P C -1.155 176.006 177.300 -0.231 0.000 1.163 365 P CA 0.309 63.198 63.100 -0.351 0.000 0.760 365 P CB -0.056 31.546 31.700 -0.163 0.000 0.762 366 N N 2.201 120.820 118.700 -0.135 0.000 2.454 366 N HA -0.048 4.662 4.740 -0.051 0.000 0.254 366 N C -0.199 175.369 175.510 0.095 0.000 1.228 366 N CA -0.365 52.663 53.050 -0.037 0.000 0.900 366 N CB -0.466 38.015 38.487 -0.010 0.000 1.089 366 N HN 0.265 nan 8.380 nan 0.000 0.449 367 N N -0.006 118.715 118.700 0.036 0.000 2.727 367 N HA -0.208 4.501 4.740 -0.051 0.000 0.249 367 N C 0.161 175.674 175.510 0.005 0.000 1.048 367 N CA 0.711 53.792 53.050 0.053 0.000 0.714 367 N CB -1.067 37.474 38.487 0.090 0.000 0.959 367 N HN 0.587 nan 8.380 nan 0.000 0.544 368 I N -0.113 120.417 120.570 -0.067 0.000 2.145 368 I HA -0.245 3.894 4.170 -0.051 0.000 0.244 368 I C -0.557 175.422 176.117 -0.230 0.000 1.075 368 I CA 1.513 62.703 61.300 -0.183 0.000 1.332 368 I CB -1.006 36.854 38.000 -0.234 0.000 1.033 368 I HN 0.211 nan 8.210 nan 0.000 0.410 369 P HA -0.214 nan 4.420 nan 0.000 0.219 369 P C 1.500 178.780 177.300 -0.033 0.000 1.146 369 P CA 1.401 64.490 63.100 -0.018 0.000 0.808 369 P CB -0.135 31.673 31.700 0.180 0.000 0.779 370 Y N 0.649 120.841 120.300 -0.180 0.000 2.263 370 Y HA 0.021 4.542 4.550 -0.049 0.000 0.292 370 Y C 2.285 177.990 175.900 -0.325 0.000 1.130 370 Y CA 1.300 59.276 58.100 -0.208 0.000 1.179 370 Y CB -0.883 37.459 38.460 -0.197 0.000 0.998 370 Y HN -0.115 nan 8.280 nan 0.000 0.532 371 A N -0.423 122.066 122.820 -0.551 0.000 2.067 371 A HA 0.047 4.336 4.320 -0.051 0.000 0.217 371 A C 2.069 179.346 177.584 -0.511 0.000 1.156 371 A CA 1.118 52.700 52.037 -0.759 0.000 0.683 371 A CB -0.702 17.711 19.000 -0.978 0.000 0.808 371 A HN 0.512 nan 8.150 nan 0.000 0.455 372 L N -1.414 119.550 121.223 -0.432 0.000 2.145 372 L HA -0.002 4.307 4.340 -0.051 0.000 0.201 372 L C 2.436 179.163 176.870 -0.238 0.000 1.075 372 L CA 1.091 55.705 54.840 -0.376 0.000 0.773 372 L CB -0.451 41.267 42.059 -0.567 0.000 0.936 372 L HN 0.331 nan 8.230 nan 0.000 0.451 373 E N -0.285 119.804 120.200 -0.185 0.000 2.076 373 E HA -0.159 4.160 4.350 -0.051 0.000 0.190 373 E C 2.110 178.667 176.600 -0.071 0.000 0.979 373 E CA 1.347 57.722 56.400 -0.040 0.000 0.807 373 E CB 0.189 29.917 29.700 0.046 0.000 0.761 373 E HN 0.323 nan 8.360 nan 0.000 0.454 374 V N -0.517 119.279 119.914 -0.197 0.000 2.922 374 V HA 0.053 4.143 4.120 -0.051 0.000 0.242 374 V C 1.644 177.568 176.094 -0.284 0.000 1.094 374 V CA 0.588 62.759 62.300 -0.215 0.000 1.106 374 V CB 0.009 31.725 31.823 -0.179 0.000 0.799 374 V HN 0.151 nan 8.190 nan 0.000 0.474 375 L N 0.359 121.324 121.223 -0.430 0.000 2.130 375 L HA 0.073 4.383 4.340 -0.051 0.000 0.200 375 L C 2.754 179.476 176.870 -0.247 0.000 1.075 375 L CA 1.535 56.147 54.840 -0.380 0.000 0.768 375 L CB -0.646 41.093 42.059 -0.534 0.000 0.933 375 L HN 0.327 nan 8.230 nan 0.000 0.451 376 S N 0.531 116.080 115.700 -0.252 0.000 2.329 376 S HA -0.073 4.366 4.470 -0.051 0.000 0.215 376 S C 2.192 176.708 174.600 -0.139 0.000 1.031 376 S CA 0.983 59.070 58.200 -0.189 0.000 0.985 376 S CB -0.520 62.558 63.200 -0.204 0.000 0.917 376 S HN 0.400 nan 8.310 nan 0.000 0.441 377 A N 1.903 124.670 122.820 -0.087 0.000 1.883 377 A HA 0.012 4.302 4.320 -0.051 0.000 0.217 377 A C 2.365 179.974 177.584 0.041 0.000 1.186 377 A CA 1.933 53.987 52.037 0.029 0.000 0.624 377 A CB -1.671 17.424 19.000 0.157 0.000 0.822 377 A HN 0.533 nan 8.150 nan 0.000 0.444 378 G N -0.782 108.017 108.800 -0.002 0.000 2.440 378 G HA2 -0.023 3.906 3.960 -0.051 0.000 0.218 378 G HA3 -0.023 3.906 3.960 -0.051 0.000 0.218 378 G C 1.519 176.406 174.900 -0.021 0.000 1.154 378 G CA 1.343 46.442 45.100 -0.001 0.000 0.767 378 G HN 0.768 nan 8.290 nan 0.000 0.552 379 G N 0.590 109.347 108.800 -0.072 0.000 2.408 379 G HA2 -0.076 3.854 3.960 -0.051 0.000 0.217 379 G HA3 -0.076 3.854 3.960 -0.051 0.000 0.217 379 G C 1.763 176.599 174.900 -0.107 0.000 1.150 379 G CA 0.574 45.628 45.100 -0.076 0.000 0.776 379 G HN 0.419 nan 8.290 nan 0.000 0.542 380 L N -1.087 120.021 121.223 -0.191 0.000 2.156 380 L HA 0.155 4.465 4.340 -0.051 0.000 0.208 380 L C 1.407 178.024 176.870 -0.422 0.000 1.095 380 L CA 0.662 55.272 54.840 -0.383 0.000 0.770 380 L CB -0.129 41.566 42.059 -0.606 0.000 0.914 380 L HN 0.105 nan 8.230 nan 0.000 0.439 381 F N -0.654 119.247 119.950 -0.082 0.000 2.791 381 F HA 0.136 4.632 4.527 -0.052 0.000 0.308 381 F C 1.925 177.689 175.800 -0.060 0.000 1.138 381 F CA -0.557 57.391 58.000 -0.086 0.000 1.294 381 F CB -0.318 38.610 39.000 -0.120 0.000 0.975 381 F HN -0.060 nan 8.300 nan 0.000 0.512 382 S N -1.121 114.641 115.700 0.103 0.000 2.515 382 S HA -0.149 4.291 4.470 -0.051 0.000 0.231 382 S C 1.516 176.150 174.600 0.056 0.000 0.987 382 S CA 1.071 59.306 58.200 0.059 0.000 0.936 382 S CB -0.282 62.935 63.200 0.028 0.000 0.766 382 S HN 0.526 nan 8.310 nan 0.000 0.528 383 D N 0.583 121.032 120.400 0.081 0.000 2.349 383 D HA 0.201 4.810 4.640 -0.051 0.000 0.214 383 D C 1.321 177.661 176.300 0.068 0.000 1.063 383 D CA 0.603 54.645 54.000 0.069 0.000 0.847 383 D CB -0.414 40.432 40.800 0.076 0.000 0.933 383 D HN 0.452 nan 8.370 nan 0.000 0.513 384 G N -0.216 108.628 108.800 0.073 0.000 2.176 384 G HA2 -0.153 3.776 3.960 -0.051 0.000 0.253 384 G HA3 -0.153 3.776 3.960 -0.051 0.000 0.253 384 G C 1.147 176.041 174.900 -0.009 0.000 0.979 384 G CA 0.366 45.468 45.100 0.003 0.000 0.641 384 G HN 1.386 nan 8.290 nan 0.000 0.530 385 G N -2.043 106.836 108.800 0.132 0.000 2.179 385 G HA2 0.183 4.113 3.960 -0.051 0.000 0.220 385 G HA3 0.183 4.113 3.960 -0.051 0.000 0.220 385 G C 1.262 176.296 174.900 0.224 0.000 0.990 385 G CA 1.454 46.684 45.100 0.218 0.000 0.646 385 G HN 1.872 nan 8.290 nan 0.000 0.517 386 R N 0.980 121.565 120.500 0.143 0.000 2.070 386 R HA 0.167 4.477 4.340 -0.051 0.000 0.233 386 R C 2.825 179.201 176.300 0.126 0.000 1.137 386 R CA 2.789 58.952 56.100 0.105 0.000 0.945 386 R CB -1.550 28.791 30.300 0.069 0.000 0.845 386 R HN 0.955 nan 8.270 nan 0.000 0.430 387 S N 0.243 116.030 115.700 0.145 0.000 2.370 387 S HA -0.116 4.323 4.470 -0.051 0.000 0.226 387 S C 1.853 176.565 174.600 0.186 0.000 1.033 387 S CA 1.294 59.577 58.200 0.138 0.000 1.011 387 S CB -0.492 62.784 63.200 0.126 0.000 0.852 387 S HN 0.579 nan 8.310 nan 0.000 0.457 388 F N 1.922 121.938 119.950 0.109 0.000 2.293 388 F HA 0.136 4.615 4.527 -0.080 0.000 0.300 388 F C 1.639 177.592 175.800 0.255 0.000 1.086 388 F CA 0.753 58.854 58.000 0.168 0.000 1.375 388 F CB -0.268 38.870 39.000 0.231 0.000 1.045 388 F HN 0.076 nan 8.300 nan 0.000 0.516 389 L N -0.421 120.902 121.223 0.166 0.000 2.418 389 L HA -0.082 4.227 4.340 -0.051 0.000 0.218 389 L C 2.061 178.985 176.870 0.089 0.000 1.125 389 L CA 0.516 55.415 54.840 0.099 0.000 0.835 389 L CB -0.433 41.668 42.059 0.070 0.000 0.953 389 L HN 0.092 nan 8.230 nan 0.000 0.454 390 Q N 0.108 119.935 119.800 0.046 0.000 2.369 390 Q HA -0.120 4.189 4.340 -0.051 0.000 0.206 390 Q C 1.325 177.290 176.000 -0.058 0.000 0.963 390 Q CA 1.013 56.819 55.803 0.006 0.000 0.894 390 Q CB 0.027 28.772 28.738 0.012 0.000 0.965 390 Q HN 0.487 nan 8.270 nan 0.000 0.475 391 N N -1.498 117.116 118.700 -0.142 0.000 2.398 391 N HA 0.039 4.748 4.740 -0.051 0.000 0.188 391 N C -0.220 174.961 175.510 -0.548 0.000 1.122 391 N CA 0.342 53.179 53.050 -0.356 0.000 0.866 391 N CB 0.343 38.520 38.487 -0.517 0.000 0.970 391 N HN 0.152 nan 8.380 nan 0.000 0.462 392 F N 0.308 120.152 119.950 -0.177 0.000 2.706 392 F HA 0.273 4.788 4.527 -0.020 0.000 0.313 392 F C 0.636 176.360 175.800 -0.128 0.000 1.096 392 F CA -0.536 57.370 58.000 -0.157 0.000 1.219 392 F CB 0.415 39.308 39.000 -0.179 0.000 1.051 392 F HN -0.246 nan 8.300 nan 0.000 0.568 393 K N 0.996 121.407 120.400 0.018 0.000 2.315 393 K HA 0.276 4.565 4.320 -0.051 0.000 0.281 393 K C 1.182 177.744 176.600 -0.064 0.000 1.086 393 K CA 1.052 57.328 56.287 -0.019 0.000 1.042 393 K CB -0.493 31.991 32.500 -0.026 0.000 0.949 393 K HN 0.433 nan 8.250 nan 0.000 0.450 394 G N 2.810 111.561 108.800 -0.081 0.000 2.176 394 G HA2 -0.237 3.693 3.960 -0.051 0.000 0.253 394 G HA3 -0.237 3.693 3.960 -0.051 0.000 0.253 394 G C -0.082 174.672 174.900 -0.243 0.000 0.979 394 G CA 0.092 45.104 45.100 -0.147 0.000 0.641 394 G HN 0.651 nan 8.290 nan 0.000 0.530 395 D N -0.061 120.235 120.400 -0.174 0.000 2.264 395 D HA 0.524 5.134 4.640 -0.051 0.000 0.249 395 D C 0.766 176.953 176.300 -0.188 0.000 1.070 395 D CA -0.578 53.306 54.000 -0.193 0.000 0.912 395 D CB 0.248 41.005 40.800 -0.071 0.000 1.193 395 D HN 0.091 nan 8.370 nan 0.000 0.427 396 F N 0.963 120.939 119.950 0.044 0.000 2.578 396 F HA 0.073 4.565 4.527 -0.057 0.000 0.376 396 F C 0.985 176.860 175.800 0.124 0.000 1.085 396 F CA -0.520 57.513 58.000 0.056 0.000 1.260 396 F CB 0.531 39.547 39.000 0.026 0.000 1.095 396 F HN -0.063 nan 8.300 nan 0.000 0.573 397 V N 3.432 123.523 119.914 0.295 0.000 2.481 397 V HA 0.272 4.362 4.120 -0.051 0.000 0.286 397 V C -0.205 175.994 176.094 0.175 0.000 1.042 397 V CA -0.750 61.692 62.300 0.237 0.000 0.928 397 V CB 1.455 33.291 31.823 0.022 0.000 0.986 397 V HN 0.795 nan 8.190 nan 0.000 0.462 398 D N 7.085 127.588 120.400 0.171 0.000 2.308 398 D HA 0.305 4.914 4.640 -0.051 0.000 0.251 398 D C -1.521 174.818 176.300 0.065 0.000 1.127 398 D CA -1.570 52.496 54.000 0.110 0.000 0.876 398 D CB 2.278 43.148 40.800 0.115 0.000 1.176 398 D HN 0.520 nan 8.370 nan 0.000 0.446 399 P HA -0.158 nan 4.420 nan 0.000 0.219 399 P C 1.647 178.950 177.300 0.007 0.000 1.144 399 P CA 0.790 63.899 63.100 0.015 0.000 0.806 399 P CB -0.284 31.416 31.700 0.001 0.000 0.771 400 C N -2.582 116.723 119.300 0.009 0.000 2.481 400 C HA 0.125 4.554 4.460 -0.051 0.000 0.275 400 C C 2.268 177.251 174.990 -0.012 0.000 1.419 400 C CA -0.153 58.856 59.018 -0.015 0.000 1.773 400 C CB -2.198 25.531 27.740 -0.018 0.000 1.862 400 C HN 0.009 nan 8.230 nan 0.000 0.530 401 L N 1.948 123.190 121.223 0.030 0.000 2.610 401 L HA 0.325 4.634 4.340 -0.051 0.000 0.232 401 L C 1.992 178.887 176.870 0.041 0.000 1.149 401 L CA 1.556 56.427 54.840 0.053 0.000 0.872 401 L CB -1.117 40.997 42.059 0.091 0.000 0.992 401 L HN 0.762 nan 8.230 nan 0.000 0.447 402 G N -0.081 108.732 108.800 0.021 0.000 2.583 402 G HA2 -0.381 3.549 3.960 -0.051 0.000 0.292 402 G HA3 -0.381 3.549 3.960 -0.051 0.000 0.292 402 G C 0.442 175.360 174.900 0.030 0.000 1.203 402 G CA 0.409 45.525 45.100 0.027 0.000 0.987 402 G HN 0.263 nan 8.290 nan 0.000 0.554 403 D N 0.616 121.047 120.400 0.052 0.000 2.402 403 D HA 0.271 4.880 4.640 -0.051 0.000 0.216 403 D C 2.178 178.501 176.300 0.038 0.000 1.128 403 D CA -0.433 53.588 54.000 0.036 0.000 0.833 403 D CB 0.487 41.313 40.800 0.044 0.000 0.971 403 D HN 0.190 nan 8.370 nan 0.000 0.503 404 L N 1.048 122.310 121.223 0.066 0.000 2.042 404 L HA -0.137 4.172 4.340 -0.051 0.000 0.210 404 L C 1.732 178.590 176.870 -0.020 0.000 1.076 404 L CA 1.439 56.329 54.840 0.083 0.000 0.749 404 L CB -0.483 41.677 42.059 0.169 0.000 0.893 404 L HN 0.009 nan 8.230 nan 0.000 0.432 405 I N -1.064 119.450 120.570 -0.095 0.000 2.252 405 I HA -0.235 3.905 4.170 -0.051 0.000 0.245 405 I C 2.577 178.604 176.117 -0.150 0.000 1.102 405 I CA 0.882 62.053 61.300 -0.215 0.000 1.385 405 I CB -1.384 36.350 38.000 -0.443 0.000 1.064 405 I HN 0.237 nan 8.210 nan 0.000 0.414 406 L N 0.824 121.986 121.223 -0.103 0.000 2.079 406 L HA -0.143 4.166 4.340 -0.051 0.000 0.210 406 L C 2.340 179.159 176.870 -0.085 0.000 1.081 406 L CA 1.756 56.547 54.840 -0.082 0.000 0.752 406 L CB -0.262 41.766 42.059 -0.052 0.000 0.896 406 L HN 0.082 nan 8.230 nan 0.000 0.433 407 I N -1.548 118.975 120.570 -0.079 0.000 2.480 407 I HA -0.222 3.917 4.170 -0.051 0.000 0.251 407 I C 2.122 178.139 176.117 -0.167 0.000 1.124 407 I CA 0.759 61.999 61.300 -0.100 0.000 1.444 407 I CB -0.166 37.789 38.000 -0.075 0.000 1.098 407 I HN 0.182 nan 8.210 nan 0.000 0.428 408 L N 0.198 121.307 121.223 -0.190 0.000 2.141 408 L HA -0.108 4.201 4.340 -0.051 0.000 0.209 408 L C 2.576 179.359 176.870 -0.146 0.000 1.094 408 L CA 1.103 55.812 54.840 -0.219 0.000 0.763 408 L CB -0.516 41.426 42.059 -0.196 0.000 0.908 408 L HN 0.134 nan 8.230 nan 0.000 0.437 409 R N 0.074 120.500 120.500 -0.122 0.000 2.193 409 R HA -0.009 4.300 4.340 -0.051 0.000 0.229 409 R C 0.512 176.744 176.300 -0.114 0.000 1.110 409 R CA 0.307 56.346 56.100 -0.101 0.000 0.988 409 R CB -0.287 29.956 30.300 -0.095 0.000 0.871 409 R HN 0.275 nan 8.270 nan 0.000 0.458 410 L N 3.539 124.678 121.223 -0.140 0.000 2.499 410 L HA 0.076 4.385 4.340 -0.051 0.000 0.273 410 L C -1.762 174.999 176.870 -0.183 0.000 1.195 410 L CA -1.583 53.151 54.840 -0.177 0.000 0.882 410 L CB -0.117 41.860 42.059 -0.136 0.000 1.133 410 L HN -0.068 nan 8.230 nan 0.000 0.483 411 P HA 0.077 nan 4.420 nan 0.000 0.271 411 P C 0.347 177.496 177.300 -0.252 0.000 1.233 411 P CA -0.354 62.638 63.100 -0.180 0.000 0.789 411 P CB 0.793 32.433 31.700 -0.101 0.000 0.951 412 S N 0.796 116.447 115.700 -0.082 0.000 2.365 412 S HA -0.151 4.288 4.470 -0.051 0.000 0.225 412 S C 1.786 176.365 174.600 -0.036 0.000 1.039 412 S CA 1.526 59.703 58.200 -0.038 0.000 1.033 412 S CB -0.926 62.301 63.200 0.046 0.000 0.887 412 S HN 0.723 nan 8.310 nan 0.000 0.447 413 W N 0.839 122.167 121.300 0.047 0.000 2.338 413 W HA -0.122 4.508 4.660 -0.049 0.000 0.304 413 W C 1.901 178.464 176.519 0.073 0.000 1.212 413 W CA 0.620 57.996 57.345 0.050 0.000 1.264 413 W CB -1.227 28.267 29.460 0.056 0.000 1.142 413 W HN 0.284 nan 8.180 nan 0.000 0.512 414 F N 2.485 121.857 119.950 -0.964 0.000 2.163 414 F HA -0.025 4.471 4.527 -0.052 0.000 0.297 414 F C 2.645 178.207 175.800 -0.397 0.000 1.094 414 F CA 2.224 59.694 58.000 -0.882 0.000 1.290 414 F CB -0.495 37.696 39.000 -1.348 0.000 1.017 414 F HN -0.287 nan 8.300 nan 0.000 0.483 415 K N 0.243 120.484 120.400 -0.266 0.000 2.074 415 K HA -0.225 4.064 4.320 -0.051 0.000 0.209 415 K C 2.511 178.990 176.600 -0.200 0.000 1.048 415 K CA 2.240 58.395 56.287 -0.220 0.000 0.926 415 K CB -0.334 32.063 32.500 -0.172 0.000 0.713 415 K HN 0.252 nan 8.250 nan 0.000 0.444 416 R N 0.604 121.022 120.500 -0.137 0.000 2.073 416 R HA -0.008 4.301 4.340 -0.051 0.000 0.229 416 R C 2.138 178.380 176.300 -0.096 0.000 1.120 416 R CA 1.605 57.658 56.100 -0.079 0.000 0.967 416 R CB -1.386 28.909 30.300 -0.009 0.000 0.862 416 R HN 0.286 nan 8.270 nan 0.000 0.436 417 L N 0.049 121.198 121.223 -0.123 0.000 2.017 417 L HA 0.028 4.338 4.340 -0.051 0.000 0.208 417 L C 2.413 179.138 176.870 -0.241 0.000 1.073 417 L CA 1.676 56.430 54.840 -0.143 0.000 0.745 417 L CB -0.221 41.776 42.059 -0.105 0.000 0.894 417 L HN 0.386 nan 8.230 nan 0.000 0.432 418 L N -1.498 119.479 121.223 -0.409 0.000 2.156 418 L HA -0.157 4.152 4.340 -0.051 0.000 0.208 418 L C 2.601 179.352 176.870 -0.198 0.000 1.095 418 L CA 1.236 55.851 54.840 -0.375 0.000 0.770 418 L CB -0.245 41.501 42.059 -0.523 0.000 0.914 418 L HN 0.387 nan 8.230 nan 0.000 0.439 419 S N 0.334 115.936 115.700 -0.164 0.000 2.348 419 S HA -0.150 4.289 4.470 -0.051 0.000 0.221 419 S C 1.810 176.373 174.600 -0.062 0.000 1.033 419 S CA 1.477 59.622 58.200 -0.092 0.000 1.010 419 S CB -0.200 62.954 63.200 -0.077 0.000 0.891 419 S HN 0.494 nan 8.310 nan 0.000 0.442 420 L N -0.414 120.772 121.223 -0.062 0.000 2.552 420 L HA 0.240 4.549 4.340 -0.051 0.000 0.227 420 L C 1.774 178.621 176.870 -0.039 0.000 1.146 420 L CA 1.108 55.925 54.840 -0.039 0.000 0.858 420 L CB -0.711 41.332 42.059 -0.027 0.000 0.969 420 L HN 0.303 nan 8.230 nan 0.000 0.451 421 L N -0.549 120.642 121.223 -0.054 0.000 2.463 421 L HA 0.090 4.399 4.340 -0.051 0.000 0.219 421 L C 2.010 178.864 176.870 -0.027 0.000 1.088 421 L CA 0.223 55.035 54.840 -0.046 0.000 0.849 421 L CB 0.225 42.244 42.059 -0.067 0.000 1.012 421 L HN 0.181 nan 8.230 nan 0.000 0.468 422 L N -0.300 120.913 121.223 -0.017 0.000 2.477 422 L HA 0.070 4.380 4.340 -0.051 0.000 0.220 422 L C 2.648 179.528 176.870 0.018 0.000 1.106 422 L CA 1.285 56.147 54.840 0.036 0.000 0.851 422 L CB -0.802 41.288 42.059 0.051 0.000 0.994 422 L HN 0.111 nan 8.230 nan 0.000 0.462 423 K N 0.767 121.162 120.400 -0.008 0.000 2.097 423 K HA -0.073 4.216 4.320 -0.051 0.000 0.206 423 K C -0.076 176.509 176.600 -0.025 0.000 1.049 423 K CA 1.637 57.919 56.287 -0.008 0.000 0.933 423 K CB -2.335 30.161 32.500 -0.006 0.000 0.717 423 K HN 0.423 nan 8.250 nan 0.000 0.442 424 P HA -0.105 nan 4.420 nan 0.000 0.217 424 P C 1.062 178.279 177.300 -0.139 0.000 1.150 424 P CA 0.712 63.768 63.100 -0.073 0.000 0.832 424 P CB 0.101 31.759 31.700 -0.071 0.000 0.787 425 L N -1.733 119.363 121.223 -0.211 0.000 2.121 425 L HA 0.131 4.441 4.340 -0.051 0.000 0.200 425 L C 1.332 177.851 176.870 -0.585 0.000 1.077 425 L CA 1.366 55.900 54.840 -0.510 0.000 0.766 425 L CB -1.481 40.163 42.059 -0.693 0.000 0.931 425 L HN -0.110 nan 8.230 nan 0.000 0.452 426 F N -0.209 119.710 119.950 -0.051 0.000 2.550 426 F HA 0.303 4.800 4.527 -0.050 0.000 0.348 426 F C -1.553 174.173 175.800 -0.123 0.000 1.219 426 F CA -1.389 56.557 58.000 -0.091 0.000 1.203 426 F CB 0.725 39.641 39.000 -0.141 0.000 1.436 426 F HN -0.037 nan 8.300 nan 0.000 0.541 427 P HA -0.160 nan 4.420 nan 0.000 0.217 427 P C 1.666 178.931 177.300 -0.058 0.000 1.148 427 P CA 1.399 64.502 63.100 0.005 0.000 0.828 427 P CB 0.183 31.912 31.700 0.049 0.000 0.783 428 R N -1.195 119.181 120.500 -0.207 0.000 2.073 428 R HA -0.016 4.293 4.340 -0.051 0.000 0.229 428 R C 1.897 178.098 176.300 -0.166 0.000 1.120 428 R CA 1.032 56.983 56.100 -0.249 0.000 0.967 428 R CB -1.005 28.975 30.300 -0.534 0.000 0.862 428 R HN 0.192 nan 8.270 nan 0.000 0.436 429 L N 0.301 121.339 121.223 -0.308 0.000 2.217 429 L HA 0.001 4.311 4.340 -0.051 0.000 0.211 429 L C 2.341 179.195 176.870 -0.027 0.000 1.107 429 L CA 1.385 56.044 54.840 -0.301 0.000 0.783 429 L CB -0.935 40.867 42.059 -0.428 0.000 0.919 429 L HN 0.114 nan 8.230 nan 0.000 0.442 430 A N -0.592 122.217 122.820 -0.017 0.000 1.873 430 A HA -0.091 4.198 4.320 -0.051 0.000 0.215 430 A C 2.493 180.101 177.584 0.040 0.000 1.186 430 A CA 1.602 53.642 52.037 0.005 0.000 0.616 430 A CB -0.835 18.167 19.000 0.003 0.000 0.823 430 A HN 0.349 nan 8.150 nan 0.000 0.442 431 A N -1.296 121.568 122.820 0.074 0.000 1.933 431 A HA -0.091 4.199 4.320 -0.051 0.000 0.218 431 A C 2.095 179.790 177.584 0.185 0.000 1.175 431 A CA 1.453 53.556 52.037 0.110 0.000 0.628 431 A CB -0.783 18.291 19.000 0.123 0.000 0.814 431 A HN 0.645 nan 8.150 nan 0.000 0.444 432 F N 0.218 120.211 119.950 0.071 0.000 2.091 432 F HA -0.212 4.281 4.527 -0.056 0.000 0.299 432 F C 1.915 177.741 175.800 0.042 0.000 1.103 432 F CA 1.681 59.758 58.000 0.129 0.000 1.228 432 F CB -0.042 39.099 39.000 0.234 0.000 0.984 432 F HN 0.161 nan 8.300 nan 0.000 0.477 433 L N -0.170 121.031 121.223 -0.037 0.000 2.240 433 L HA -0.179 4.130 4.340 -0.051 0.000 0.211 433 L C 2.126 178.915 176.870 -0.135 0.000 1.106 433 L CA 0.887 55.619 54.840 -0.180 0.000 0.793 433 L CB -0.711 41.271 42.059 -0.128 0.000 0.927 433 L HN 0.258 nan 8.230 nan 0.000 0.446 434 N N -0.331 118.336 118.700 -0.055 0.000 2.396 434 N HA -0.156 4.554 4.740 -0.051 0.000 0.180 434 N C 1.932 177.424 175.510 -0.030 0.000 1.028 434 N CA 1.189 54.219 53.050 -0.034 0.000 0.893 434 N CB 0.289 38.776 38.487 0.001 0.000 0.967 434 N HN 0.304 nan 8.380 nan 0.000 0.440 435 S N -0.197 115.486 115.700 -0.028 0.000 2.501 435 S HA 0.050 4.489 4.470 -0.051 0.000 0.220 435 S C 1.549 176.137 174.600 -0.020 0.000 0.997 435 S CA 0.077 58.281 58.200 0.006 0.000 0.919 435 S CB -0.067 63.184 63.200 0.086 0.000 0.778 435 S HN 0.246 nan 8.310 nan 0.000 0.523 436 M N 2.168 121.673 119.600 -0.159 0.000 2.505 436 M HA 0.267 4.717 4.480 -0.051 0.000 0.230 436 M C 0.755 176.968 176.300 -0.144 0.000 1.153 436 M CA -0.157 55.000 55.300 -0.238 0.000 0.997 436 M CB 0.131 32.426 32.600 -0.508 0.000 1.606 436 M HN 0.199 nan 8.290 nan 0.000 0.481 437 R N 2.531 122.979 120.500 -0.086 0.000 2.340 437 R HA 0.316 4.625 4.340 -0.051 0.000 0.300 437 R C -3.021 173.265 176.300 -0.024 0.000 1.069 437 R CA -1.336 54.730 56.100 -0.055 0.000 0.984 437 R CB -0.072 30.203 30.300 -0.042 0.000 1.003 437 R HN -0.072 nan 8.270 nan 0.000 0.459 438 P HA 0.277 nan 4.420 nan 0.000 0.282 438 P C -0.648 176.650 177.300 -0.002 0.000 1.274 438 P CA -0.216 62.883 63.100 -0.001 0.000 0.770 438 P CB 0.574 32.275 31.700 0.001 0.000 0.867 439 R N 1.441 121.941 120.500 -0.001 0.000 2.528 439 R HA 0.467 4.776 4.340 -0.051 0.000 0.271 439 R C 0.877 177.159 176.300 -0.029 0.000 1.056 439 R CA -0.481 55.612 56.100 -0.012 0.000 1.117 439 R CB 0.637 30.932 30.300 -0.008 0.000 1.085 439 R HN 0.512 nan 8.270 nan 0.000 0.530 440 S N 0.335 116.005 115.700 -0.050 0.000 2.634 440 S HA 0.231 4.670 4.470 -0.051 0.000 0.261 440 S C 1.070 175.583 174.600 -0.145 0.000 1.271 440 S CA -0.330 57.816 58.200 -0.089 0.000 0.985 440 S CB 1.390 64.533 63.200 -0.096 0.000 0.968 440 S HN 0.697 nan 8.310 nan 0.000 0.568 441 A N -0.270 122.411 122.820 -0.231 0.000 2.014 441 A HA -0.011 4.278 4.320 -0.051 0.000 0.218 441 A C 2.080 179.262 177.584 -0.671 0.000 1.163 441 A CA 1.214 53.006 52.037 -0.409 0.000 0.652 441 A CB -0.938 17.792 19.000 -0.451 0.000 0.808 441 A HN 0.958 nan 8.150 nan 0.000 0.449 442 E N -0.198 119.710 120.200 -0.487 0.000 2.077 442 E HA -0.219 4.101 4.350 -0.051 0.000 0.193 442 E C 1.497 178.016 176.600 -0.135 0.000 0.989 442 E CA 1.334 57.529 56.400 -0.343 0.000 0.800 442 E CB -0.007 29.579 29.700 -0.191 0.000 0.746 442 E HN 0.382 nan 8.360 nan 0.000 0.452 443 K N 0.231 120.570 120.400 -0.102 0.000 2.418 443 K HA 0.093 4.383 4.320 -0.051 0.000 0.195 443 K C 1.641 178.247 176.600 0.010 0.000 1.035 443 K CA 0.005 56.280 56.287 -0.020 0.000 1.003 443 K CB 0.127 32.615 32.500 -0.019 0.000 0.793 443 K HN 0.130 nan 8.250 nan 0.000 0.494 444 L N -0.763 120.448 121.223 -0.021 0.000 2.202 444 L HA -0.057 4.253 4.340 -0.051 0.000 0.205 444 L C 1.099 178.088 176.870 0.199 0.000 1.083 444 L CA 1.005 55.877 54.840 0.053 0.000 0.790 444 L CB -0.186 41.886 42.059 0.023 0.000 0.942 444 L HN 0.323 nan 8.230 nan 0.000 0.452 445 W N 0.987 122.308 121.300 0.035 0.000 2.381 445 W HA -0.158 4.469 4.660 -0.054 0.000 0.301 445 W C 2.868 179.429 176.519 0.069 0.000 1.205 445 W CA 1.850 59.221 57.345 0.043 0.000 1.285 445 W CB -1.233 28.243 29.460 0.027 0.000 1.133 445 W HN 0.120 nan 8.180 nan 0.000 0.521 446 K N 0.730 121.303 120.400 0.289 0.000 2.020 446 K HA -0.180 4.110 4.320 -0.051 0.000 0.212 446 K C 2.008 178.725 176.600 0.194 0.000 1.050 446 K CA 1.904 58.323 56.287 0.220 0.000 0.929 446 K CB -1.332 31.260 32.500 0.153 0.000 0.714 446 K HN 0.284 nan 8.250 nan 0.000 0.443 447 L N 0.267 121.573 121.223 0.139 0.000 2.131 447 L HA -0.186 4.123 4.340 -0.051 0.000 0.210 447 L C 2.883 179.804 176.870 0.085 0.000 1.092 447 L CA 2.035 56.923 54.840 0.081 0.000 0.759 447 L CB -0.096 41.988 42.059 0.041 0.000 0.903 447 L HN 0.600 nan 8.230 nan 0.000 0.435 448 Q N -1.539 118.344 119.800 0.140 0.000 2.079 448 Q HA -0.272 4.037 4.340 -0.051 0.000 0.200 448 Q C 2.175 178.262 176.000 0.146 0.000 0.974 448 Q CA 1.776 57.657 55.803 0.129 0.000 0.840 448 Q CB -0.108 28.725 28.738 0.158 0.000 0.898 448 Q HN 0.627 nan 8.270 nan 0.000 0.430 449 H N 0.450 119.566 119.070 0.078 0.000 2.353 449 H HA -0.079 4.446 4.556 -0.052 0.000 0.300 449 H C 1.531 176.908 175.328 0.081 0.000 1.090 449 H CA 2.054 58.142 56.048 0.068 0.000 1.327 449 H CB 0.189 29.994 29.762 0.072 0.000 1.383 449 H HN 0.316 nan 8.280 nan 0.000 0.508 450 E N -0.125 120.086 120.200 0.019 0.000 2.077 450 E HA -0.153 4.166 4.350 -0.051 0.000 0.193 450 E C 2.424 179.033 176.600 0.015 0.000 0.989 450 E CA 1.231 57.631 56.400 -0.001 0.000 0.800 450 E CB -0.055 29.699 29.700 0.090 0.000 0.746 450 E HN 0.525 nan 8.360 nan 0.000 0.452 451 I N 1.765 122.338 120.570 0.006 0.000 2.163 451 I HA -0.301 3.838 4.170 -0.051 0.000 0.243 451 I C 2.810 178.953 176.117 0.043 0.000 1.085 451 I CA 1.550 62.863 61.300 0.021 0.000 1.347 451 I CB -0.421 37.575 38.000 -0.007 0.000 1.044 451 I HN 0.201 nan 8.210 nan 0.000 0.408 452 E N 0.979 121.189 120.200 0.017 0.000 2.204 452 E HA -0.237 4.082 4.350 -0.051 0.000 0.194 452 E C 2.176 178.762 176.600 -0.023 0.000 0.989 452 E CA 1.121 57.531 56.400 0.017 0.000 0.824 452 E CB -0.177 29.559 29.700 0.060 0.000 0.756 452 E HN 0.504 nan 8.360 nan 0.000 0.477 453 M N -0.109 119.430 119.600 -0.101 0.000 2.193 453 M HA -0.067 4.382 4.480 -0.051 0.000 0.265 453 M C 2.187 178.487 176.300 -0.000 0.000 1.071 453 M CA 1.159 56.400 55.300 -0.098 0.000 1.140 453 M CB -0.292 32.176 32.600 -0.219 0.000 1.369 453 M HN 0.185 nan 8.290 nan 0.000 0.423 454 Y N 0.880 121.151 120.300 -0.049 0.000 2.224 454 Y HA -0.246 4.273 4.550 -0.052 0.000 0.289 454 Y C 2.498 178.376 175.900 -0.038 0.000 1.146 454 Y CA 1.689 59.776 58.100 -0.021 0.000 1.182 454 Y CB -0.160 38.286 38.460 -0.023 0.000 0.983 454 Y HN 0.069 nan 8.280 nan 0.000 0.524 455 R N -0.127 120.282 120.500 -0.152 0.000 2.097 455 R HA -0.247 4.063 4.340 -0.051 0.000 0.236 455 R C 2.358 178.598 176.300 -0.100 0.000 1.135 455 R CA 2.051 58.057 56.100 -0.156 0.000 0.934 455 R CB -0.301 29.991 30.300 -0.013 0.000 0.846 455 R HN 0.328 nan 8.270 nan 0.000 0.431 456 Q N -0.021 119.751 119.800 -0.047 0.000 2.152 456 Q HA -0.178 4.132 4.340 -0.051 0.000 0.206 456 Q C 2.143 178.127 176.000 -0.026 0.000 0.985 456 Q CA 2.204 57.998 55.803 -0.015 0.000 0.863 456 Q CB -0.416 28.321 28.738 -0.003 0.000 0.904 456 Q HN 0.443 nan 8.270 nan 0.000 0.422 457 S N -0.964 114.685 115.700 -0.086 0.000 2.387 457 S HA -0.053 4.387 4.470 -0.051 0.000 0.226 457 S C 2.031 176.590 174.600 -0.067 0.000 1.026 457 S CA 1.069 59.225 58.200 -0.073 0.000 0.972 457 S CB -0.280 62.876 63.200 -0.073 0.000 0.814 457 S HN 0.130 nan 8.310 nan 0.000 0.477 458 V N 1.715 121.518 119.914 -0.186 0.000 2.548 458 V HA -0.009 4.080 4.120 -0.051 0.000 0.249 458 V C 2.404 178.649 176.094 0.251 0.000 1.055 458 V CA 1.465 63.750 62.300 -0.024 0.000 1.065 458 V CB -0.739 30.920 31.823 -0.274 0.000 0.681 458 V HN 0.469 nan 8.190 nan 0.000 0.462 459 I N 0.689 121.361 120.570 0.170 0.000 2.179 459 I HA -0.232 3.908 4.170 -0.051 0.000 0.242 459 I C 2.650 178.867 176.117 0.167 0.000 1.088 459 I CA 1.604 62.993 61.300 0.148 0.000 1.357 459 I CB -0.497 37.537 38.000 0.056 0.000 1.051 459 I HN 0.274 nan 8.210 nan 0.000 0.409 460 A N -0.328 122.567 122.820 0.125 0.000 1.933 460 A HA -0.244 4.045 4.320 -0.051 0.000 0.218 460 A C 2.269 179.958 177.584 0.175 0.000 1.175 460 A CA 1.391 53.500 52.037 0.119 0.000 0.628 460 A CB -0.570 18.474 19.000 0.073 0.000 0.814 460 A HN 0.455 nan 8.150 nan 0.000 0.444 461 Q N -1.686 118.254 119.800 0.233 0.000 2.135 461 Q HA -0.200 4.110 4.340 -0.051 0.000 0.204 461 Q C 1.999 178.274 176.000 0.459 0.000 0.981 461 Q CA 1.479 57.488 55.803 0.344 0.000 0.856 461 Q CB -0.200 28.775 28.738 0.395 0.000 0.902 461 Q HN 0.944 nan 8.270 nan 0.000 0.425 462 W N 1.079 122.483 121.300 0.173 0.000 2.453 462 W HA -0.078 4.551 4.660 -0.051 0.000 0.289 462 W C 1.186 177.642 176.519 -0.106 0.000 1.215 462 W CA 0.943 58.228 57.345 -0.100 0.000 1.297 462 W CB 0.195 29.639 29.460 -0.027 0.000 1.113 462 W HN -0.012 nan 8.180 nan 0.000 0.551 463 K N -0.146 120.425 120.400 0.284 0.000 2.356 463 K HA 0.072 4.361 4.320 -0.051 0.000 0.195 463 K C 1.813 178.464 176.600 0.085 0.000 1.037 463 K CA 0.763 57.153 56.287 0.171 0.000 1.014 463 K CB 0.158 32.745 32.500 0.144 0.000 0.815 463 K HN 0.017 nan 8.250 nan 0.000 0.507 464 A N 0.323 123.198 122.820 0.091 0.000 2.178 464 A HA 0.068 4.357 4.320 -0.051 0.000 0.211 464 A C 1.736 179.341 177.584 0.036 0.000 1.157 464 A CA 0.515 52.589 52.037 0.062 0.000 0.780 464 A CB -0.031 19.016 19.000 0.077 0.000 0.828 464 A HN 0.146 nan 8.150 nan 0.000 0.476 465 M N -1.515 118.088 119.600 0.004 0.000 2.333 465 M HA 0.244 4.694 4.480 -0.051 0.000 0.257 465 M C 0.311 176.536 176.300 -0.126 0.000 1.078 465 M CA 0.048 55.314 55.300 -0.056 0.000 1.005 465 M CB 0.088 32.642 32.600 -0.077 0.000 1.444 465 M HN 0.405 nan 8.290 nan 0.000 0.496 466 N N 1.041 119.683 118.700 -0.097 0.000 2.725 466 N HA -0.167 4.543 4.740 -0.051 0.000 0.251 466 N C -1.232 174.164 175.510 -0.190 0.000 1.031 466 N CA 0.298 53.294 53.050 -0.090 0.000 0.720 466 N CB -0.851 37.606 38.487 -0.050 0.000 0.930 466 N HN 0.389 nan 8.380 nan 0.000 0.543 467 L N -0.605 120.379 121.223 -0.398 0.000 2.439 467 L HA 0.224 4.533 4.340 -0.051 0.000 0.261 467 L C 1.214 177.868 176.870 -0.361 0.000 1.153 467 L CA -0.283 54.172 54.840 -0.641 0.000 0.808 467 L CB 0.634 41.833 42.059 -1.434 0.000 1.126 467 L HN 0.204 nan 8.230 nan 0.000 0.460 468 D N -0.395 119.818 120.400 -0.310 0.000 2.490 468 D HA 0.143 4.752 4.640 -0.051 0.000 0.244 468 D C -0.310 175.978 176.300 -0.020 0.000 0.979 468 D CA 0.658 54.599 54.000 -0.098 0.000 0.924 468 D CB 0.737 41.462 40.800 -0.126 0.000 1.075 468 D HN 0.202 nan 8.370 nan 0.000 0.488 469 V N 0.071 119.806 119.914 -0.298 0.000 3.202 469 V HA 0.515 4.604 4.120 -0.051 0.000 0.306 469 V C -1.599 174.173 176.094 -0.537 0.000 1.283 469 V CA -1.218 60.915 62.300 -0.278 0.000 1.065 469 V CB 2.443 33.878 31.823 -0.647 0.000 1.079 469 V HN -0.000 nan 8.190 nan 0.000 0.448 470 L N 1.551 122.610 121.223 -0.273 0.000 2.422 470 L HA 0.889 5.199 4.340 -0.051 0.000 0.264 470 L C -1.623 175.247 176.870 0.000 0.000 0.984 470 L CA -0.457 54.272 54.840 -0.185 0.000 0.819 470 L CB 1.850 43.904 42.059 -0.008 0.000 1.330 470 L HN 0.659 nan 8.230 nan 0.000 0.410 471 L N 3.349 124.602 121.223 0.050 0.000 2.322 471 L HA 0.841 5.150 4.340 -0.051 0.000 0.281 471 L C -0.670 176.170 176.870 -0.051 0.000 1.014 471 L CA 0.494 55.417 54.840 0.138 0.000 0.815 471 L CB 1.885 44.087 42.059 0.239 0.000 1.247 471 L HN 0.827 nan 8.230 nan 0.000 0.421 472 T N 5.457 119.952 114.554 -0.099 0.000 2.933 472 T HA 0.501 4.821 4.350 -0.051 0.000 0.305 472 T C -2.794 171.835 174.700 -0.118 0.000 1.092 472 T CA -0.993 60.943 62.100 -0.275 0.000 1.008 472 T CB 2.169 70.958 68.868 -0.133 0.000 1.102 472 T HN 0.326 nan 8.240 nan 0.000 0.469 473 P HA 0.328 nan 4.420 nan 0.000 0.267 473 P C -0.934 176.227 177.300 -0.232 0.000 1.200 473 P CA -0.473 62.505 63.100 -0.204 0.000 0.772 473 P CB 0.401 31.870 31.700 -0.385 0.000 0.855 474 M N 3.681 123.164 119.600 -0.194 0.000 2.253 474 M HA 0.280 4.729 4.480 -0.051 0.000 0.314 474 M C -0.994 175.255 176.300 -0.085 0.000 1.019 474 M CA -1.190 54.039 55.300 -0.118 0.000 0.932 474 M CB 0.815 33.383 32.600 -0.054 0.000 1.606 474 M HN 0.134 nan 8.290 nan 0.000 0.430 475 L N 5.532 126.760 121.223 0.007 0.000 2.848 475 L HA -0.058 4.252 4.340 -0.051 0.000 0.286 475 L C 0.912 177.923 176.870 0.235 0.000 1.150 475 L CA 1.437 56.386 54.840 0.182 0.000 0.958 475 L CB -0.833 41.480 42.059 0.425 0.000 1.322 475 L HN 1.058 nan 8.230 nan 0.000 0.469 476 G N 7.869 116.726 108.800 0.096 0.000 2.474 476 G HA2 -0.065 3.864 3.960 -0.051 0.000 0.157 476 G HA3 -0.065 3.864 3.960 -0.051 0.000 0.157 476 G C -2.150 172.716 174.900 -0.058 0.000 1.720 476 G CA -0.006 45.096 45.100 0.004 0.000 0.931 476 G HN 0.655 nan 8.290 nan 0.000 0.376 477 P HA 0.366 nan 4.420 nan 0.000 0.274 477 P C -0.295 176.689 177.300 -0.526 0.000 1.237 477 P CA -0.121 62.817 63.100 -0.271 0.000 0.793 477 P CB 0.835 32.406 31.700 -0.214 0.000 0.977 478 A N 2.490 124.850 122.820 -0.766 0.000 2.565 478 A HA 0.097 4.386 4.320 -0.051 0.000 0.237 478 A C 0.377 177.544 177.584 -0.696 0.000 1.053 478 A CA 0.151 51.410 52.037 -1.298 0.000 0.755 478 A CB -0.812 17.774 19.000 -0.689 0.000 0.980 478 A HN 0.470 nan 8.150 nan 0.000 0.506 479 L N 1.945 122.814 121.223 -0.591 0.000 2.475 479 L HA 0.207 4.516 4.340 -0.051 0.000 0.253 479 L C 1.250 178.054 176.870 -0.111 0.000 1.198 479 L CA 0.299 55.038 54.840 -0.169 0.000 0.814 479 L CB 0.160 42.239 42.059 0.034 0.000 1.134 479 L HN 0.789 nan 8.230 nan 0.000 0.478 480 D N -0.837 119.517 120.400 -0.076 0.000 2.124 480 D HA 0.071 4.680 4.640 -0.051 0.000 0.286 480 D C 0.929 177.209 176.300 -0.035 0.000 1.130 480 D CA -0.007 53.960 54.000 -0.055 0.000 1.031 480 D CB 0.214 40.984 40.800 -0.050 0.000 1.148 480 D HN 0.096 nan 8.370 nan 0.000 0.489 481 L N 0.426 121.630 121.223 -0.032 0.000 2.242 481 L HA 0.105 4.414 4.340 -0.051 0.000 0.202 481 L C 0.781 177.620 176.870 -0.051 0.000 1.217 481 L CA 0.672 55.495 54.840 -0.028 0.000 1.714 481 L CB -1.052 40.997 42.059 -0.016 0.000 1.482 481 L HN 0.181 nan 8.230 nan 0.000 0.853 482 N N 0.554 119.227 118.700 -0.045 0.000 3.127 482 N HA 0.013 4.722 4.740 -0.051 0.000 0.317 482 N C 0.300 175.767 175.510 -0.072 0.000 1.242 482 N CA 0.668 53.685 53.050 -0.055 0.000 1.203 482 N CB 0.031 38.498 38.487 -0.033 0.000 1.462 482 N HN 0.593 nan 8.380 nan 0.000 0.546 483 T N -3.671 110.813 114.554 -0.115 0.000 3.177 483 T HA 0.141 4.461 4.350 -0.051 0.000 0.262 483 T C -1.212 173.356 174.700 -0.219 0.000 0.959 483 T CA 0.007 62.035 62.100 -0.120 0.000 0.996 483 T CB -0.614 68.205 68.868 -0.082 0.000 1.185 483 T HN -0.032 nan 8.240 nan 0.000 0.486 484 P HA -0.046 nan 4.420 nan 0.000 0.218 484 P C 1.856 178.834 177.300 -0.537 0.000 1.146 484 P CA 1.657 64.189 63.100 -0.947 0.000 0.820 484 P CB -0.652 30.077 31.700 -1.617 0.000 0.778 485 G N 0.721 109.346 108.800 -0.293 0.000 2.442 485 G HA2 -0.253 3.676 3.960 -0.051 0.000 0.219 485 G HA3 -0.253 3.676 3.960 -0.051 0.000 0.219 485 G C 1.121 175.992 174.900 -0.047 0.000 1.141 485 G CA 0.466 45.492 45.100 -0.123 0.000 0.763 485 G HN 0.387 nan 8.290 nan 0.000 0.554 486 R N -0.506 119.972 120.500 -0.036 0.000 2.696 486 R HA 0.623 4.932 4.340 -0.051 0.000 0.355 486 R C 0.314 176.664 176.300 0.084 0.000 1.138 486 R CA 0.337 56.485 56.100 0.079 0.000 1.059 486 R CB 0.442 30.807 30.300 0.109 0.000 1.380 486 R HN 0.150 nan 8.270 nan 0.000 0.578 487 A N 0.444 123.195 122.820 -0.115 0.000 2.795 487 A HA 0.234 4.523 4.320 -0.051 0.000 0.282 487 A C 0.812 178.138 177.584 -0.430 0.000 0.964 487 A CA -0.498 51.427 52.037 -0.186 0.000 1.045 487 A CB 0.510 19.536 19.000 0.043 0.000 1.174 487 A HN 0.150 nan 8.150 nan 0.000 0.493 488 T N 0.044 114.019 114.554 -0.965 0.000 2.737 488 T HA -0.168 4.151 4.350 -0.051 0.000 0.269 488 T C 2.146 176.233 174.700 -1.021 0.000 1.040 488 T CA 2.372 63.882 62.100 -0.983 0.000 1.142 488 T CB -0.189 67.967 68.868 -1.187 0.000 0.861 488 T HN 0.737 nan 8.240 nan 0.000 0.456 489 G N 0.976 108.899 108.800 -1.461 0.000 2.507 489 G HA2 -0.173 3.756 3.960 -0.051 0.000 0.221 489 G HA3 -0.173 3.756 3.960 -0.051 0.000 0.221 489 G C 1.642 176.495 174.900 -0.079 0.000 1.119 489 G CA 0.973 45.797 45.100 -0.460 0.000 0.751 489 G HN 0.629 nan 8.290 nan 0.000 0.574 490 A N 0.784 123.559 122.820 -0.076 0.000 2.209 490 A HA 0.199 4.489 4.320 -0.051 0.000 0.212 490 A C 2.206 179.813 177.584 0.039 0.000 1.158 490 A CA 0.966 53.052 52.037 0.081 0.000 0.742 490 A CB -0.412 18.665 19.000 0.129 0.000 0.790 490 A HN 0.836 nan 8.150 nan 0.000 0.472 491 I N -1.636 118.882 120.570 -0.087 0.000 3.444 491 I HA -0.060 4.079 4.170 -0.051 0.000 0.287 491 I C 1.949 178.082 176.117 0.027 0.000 1.302 491 I CA 1.142 62.466 61.300 0.040 0.000 1.368 491 I CB -0.375 37.608 38.000 -0.028 0.000 1.048 491 I HN 0.244 nan 8.210 nan 0.000 0.487 492 S N 1.359 117.049 115.700 -0.016 0.000 2.383 492 S HA -0.278 4.161 4.470 -0.051 0.000 0.229 492 S C 1.918 176.412 174.600 -0.177 0.000 1.030 492 S CA 1.276 59.381 58.200 -0.159 0.000 1.002 492 S CB -1.070 62.024 63.200 -0.177 0.000 0.829 492 S HN 0.651 nan 8.310 nan 0.000 0.467 493 Y N 2.943 123.294 120.300 0.085 0.000 2.274 493 Y HA -0.056 4.462 4.550 -0.053 0.000 0.290 493 Y C 3.184 179.165 175.900 0.135 0.000 1.145 493 Y CA 1.549 59.740 58.100 0.151 0.000 1.203 493 Y CB -0.733 37.830 38.460 0.171 0.000 0.984 493 Y HN 0.654 nan 8.280 nan 0.000 0.533 494 T N -4.891 109.738 114.554 0.126 0.000 3.046 494 T HA -0.002 4.317 4.350 -0.051 0.000 0.242 494 T C 1.846 176.552 174.700 0.009 0.000 1.018 494 T CA 0.701 62.817 62.100 0.026 0.000 1.131 494 T CB -0.814 67.880 68.868 -0.290 0.000 0.904 494 T HN 0.094 nan 8.240 nan 0.000 0.459 495 V N 1.343 121.221 119.914 -0.060 0.000 2.809 495 V HA 0.119 4.209 4.120 -0.051 0.000 0.256 495 V C 2.242 178.230 176.094 -0.177 0.000 1.080 495 V CA 0.859 63.099 62.300 -0.100 0.000 1.102 495 V CB -0.489 31.270 31.823 -0.106 0.000 0.705 495 V HN 0.448 nan 8.190 nan 0.000 0.475 496 L N -0.357 120.694 121.223 -0.286 0.000 2.191 496 L HA -0.112 4.198 4.340 -0.051 0.000 0.212 496 L C 1.812 178.348 176.870 -0.556 0.000 1.103 496 L CA 2.128 56.675 54.840 -0.488 0.000 0.769 496 L CB -0.625 41.020 42.059 -0.691 0.000 0.908 496 L HN 0.484 nan 8.230 nan 0.000 0.438 497 Y N -1.596 118.668 120.300 -0.060 0.000 2.457 497 Y HA 0.162 4.680 4.550 -0.053 0.000 0.263 497 Y C 2.207 178.074 175.900 -0.056 0.000 1.164 497 Y CA -0.002 58.063 58.100 -0.058 0.000 1.274 497 Y CB -0.445 38.034 38.460 0.031 0.000 1.097 497 Y HN 0.263 nan 8.280 nan 0.000 0.523 498 N N -1.249 117.455 118.700 0.006 0.000 2.368 498 N HA -0.129 4.580 4.740 -0.051 0.000 0.176 498 N C 1.830 177.304 175.510 -0.060 0.000 1.021 498 N CA 0.930 53.966 53.050 -0.022 0.000 0.888 498 N CB -0.302 38.160 38.487 -0.042 0.000 0.995 498 N HN 0.324 nan 8.380 nan 0.000 0.437 499 C N 1.015 120.250 119.300 -0.109 0.000 2.446 499 C HA 0.103 4.533 4.460 -0.051 0.000 0.277 499 C C 2.488 177.426 174.990 -0.087 0.000 1.275 499 C CA 0.350 59.299 59.018 -0.116 0.000 1.727 499 C CB -1.058 26.579 27.740 -0.173 0.000 2.010 499 C HN 0.320 nan 8.230 nan 0.000 0.486 500 L N 0.160 121.291 121.223 -0.153 0.000 2.492 500 L HA 0.102 4.412 4.340 -0.051 0.000 0.223 500 L C 0.884 177.707 176.870 -0.078 0.000 1.132 500 L CA 1.064 55.744 54.840 -0.267 0.000 0.850 500 L CB -0.438 41.171 42.059 -0.750 0.000 0.966 500 L HN 0.316 nan 8.230 nan 0.000 0.454 501 D N 0.165 120.569 120.400 0.007 0.000 2.697 501 D HA -0.268 4.341 4.640 -0.051 0.000 0.238 501 D C -0.431 175.993 176.300 0.206 0.000 1.152 501 D CA 0.659 54.691 54.000 0.053 0.000 0.666 501 D CB -1.157 39.626 40.800 -0.028 0.000 1.037 501 D HN 0.161 nan 8.370 nan 0.000 0.423 502 F N -0.355 119.563 119.950 -0.053 0.000 2.450 502 F HA 0.425 4.920 4.527 -0.052 0.000 0.332 502 F C -1.437 174.316 175.800 -0.078 0.000 1.093 502 F CA -2.761 55.185 58.000 -0.091 0.000 1.003 502 F CB 1.721 40.729 39.000 0.013 0.000 1.151 502 F HN -0.175 nan 8.300 nan 0.000 0.474 503 P HA -0.042 nan 4.420 nan 0.000 0.260 503 P C -1.121 176.192 177.300 0.021 0.000 1.172 503 P CA 0.359 63.460 63.100 0.002 0.000 0.760 503 P CB 0.369 32.048 31.700 -0.036 0.000 0.773 504 A N 3.334 126.163 122.820 0.015 0.000 2.401 504 A HA 0.827 5.116 4.320 -0.051 0.000 0.310 504 A C -0.193 177.388 177.584 -0.006 0.000 1.075 504 A CA -0.401 51.622 52.037 -0.022 0.000 0.746 504 A CB 1.886 20.874 19.000 -0.020 0.000 1.277 504 A HN 0.527 nan 8.150 nan 0.000 0.425 505 G N -0.069 108.726 108.800 -0.007 0.000 2.719 505 G HA2 0.554 4.483 3.960 -0.051 0.000 0.298 505 G HA3 0.554 4.483 3.960 -0.051 0.000 0.298 505 G C -1.589 173.301 174.900 -0.017 0.000 1.433 505 G CA -0.336 44.764 45.100 0.001 0.000 1.034 505 G HN 0.842 nan 8.290 nan 0.000 0.517 506 V N 1.895 121.793 119.914 -0.025 0.000 2.427 506 V HA 0.692 4.781 4.120 -0.051 0.000 0.286 506 V C -0.336 175.743 176.094 -0.025 0.000 1.034 506 V CA -0.665 61.616 62.300 -0.033 0.000 0.893 506 V CB 1.483 33.280 31.823 -0.043 0.000 0.982 506 V HN 0.755 nan 8.190 nan 0.000 0.452 507 V N 8.157 128.047 119.914 -0.039 0.000 2.612 507 V HA 0.639 4.728 4.120 -0.051 0.000 0.301 507 V C -2.543 173.525 176.094 -0.043 0.000 1.059 507 V CA -2.043 60.232 62.300 -0.041 0.000 0.886 507 V CB 2.836 34.617 31.823 -0.070 0.000 1.007 507 V HN 0.778 nan 8.190 nan 0.000 0.426 508 P HA 0.210 nan 4.420 nan 0.000 0.271 508 P C 0.322 177.598 177.300 -0.041 0.000 1.216 508 P CA 0.288 63.370 63.100 -0.031 0.000 0.771 508 P CB 1.572 33.265 31.700 -0.012 0.000 0.864 509 V N -0.592 119.290 119.914 -0.052 0.000 3.426 509 V HA 0.343 4.432 4.120 -0.051 0.000 0.271 509 V C 0.552 176.617 176.094 -0.049 0.000 1.530 509 V CA 0.490 62.758 62.300 -0.053 0.000 1.021 509 V CB 0.356 32.141 31.823 -0.064 0.000 0.824 509 V HN 0.659 nan 8.190 nan 0.000 0.432 510 T N 0.024 114.543 114.554 -0.059 0.000 2.749 510 T HA 0.537 4.856 4.350 -0.051 0.000 0.310 510 T C -0.950 173.693 174.700 -0.096 0.000 1.496 510 T CA 0.571 62.635 62.100 -0.061 0.000 1.006 510 T CB 1.882 70.718 68.868 -0.053 0.000 1.457 510 T HN 0.752 nan 8.240 nan 0.000 0.497 511 T N 0.087 114.584 114.554 -0.094 0.000 2.932 511 T HA 0.663 4.983 4.350 -0.051 0.000 0.289 511 T C -0.516 174.125 174.700 -0.099 0.000 1.039 511 T CA -0.534 61.483 62.100 -0.139 0.000 1.024 511 T CB 1.148 69.916 68.868 -0.166 0.000 1.090 511 T HN 0.520 nan 8.240 nan 0.000 0.496 512 V N 4.721 124.566 119.914 -0.115 0.000 2.450 512 V HA 0.243 4.333 4.120 -0.051 0.000 0.281 512 V C 1.449 177.511 176.094 -0.054 0.000 1.019 512 V CA 0.050 62.300 62.300 -0.083 0.000 1.062 512 V CB -0.132 31.631 31.823 -0.098 0.000 0.979 512 V HN 1.128 nan 8.190 nan 0.000 0.477 513 T N 2.833 117.365 114.554 -0.038 0.000 2.868 513 T HA 0.420 4.740 4.350 -0.051 0.000 0.292 513 T C 1.387 176.075 174.700 -0.020 0.000 1.028 513 T CA -0.084 62.003 62.100 -0.023 0.000 1.059 513 T CB 1.479 70.337 68.868 -0.016 0.000 0.991 513 T HN 0.748 nan 8.240 nan 0.000 0.531 514 A N 0.889 123.702 122.820 -0.012 0.000 2.076 514 A HA 0.082 4.372 4.320 -0.051 0.000 0.220 514 A C 2.529 180.108 177.584 -0.008 0.000 1.160 514 A CA 1.956 53.988 52.037 -0.010 0.000 0.653 514 A CB -1.678 17.320 19.000 -0.004 0.000 0.801 514 A HN 1.161 nan 8.150 nan 0.000 0.455 515 E N 0.252 120.448 120.200 -0.006 0.000 2.152 515 E HA -0.195 4.124 4.350 -0.051 0.000 0.192 515 E C 1.562 178.161 176.600 -0.003 0.000 0.983 515 E CA 1.321 57.720 56.400 -0.002 0.000 0.818 515 E CB -0.678 29.022 29.700 -0.000 0.000 0.758 515 E HN 0.715 nan 8.360 nan 0.000 0.467 516 D N 0.469 120.863 120.400 -0.010 0.000 2.183 516 D HA -0.114 4.495 4.640 -0.051 0.000 0.203 516 D C 1.440 177.730 176.300 -0.016 0.000 0.969 516 D CA 1.096 55.089 54.000 -0.012 0.000 0.842 516 D CB -0.169 40.616 40.800 -0.025 0.000 0.957 516 D HN 0.411 nan 8.370 nan 0.000 0.484 517 D N 0.299 120.685 120.400 -0.023 0.000 2.277 517 D HA 0.016 4.625 4.640 -0.051 0.000 0.208 517 D C 1.866 178.158 176.300 -0.013 0.000 0.962 517 D CA 0.247 54.230 54.000 -0.027 0.000 0.865 517 D CB 0.529 41.309 40.800 -0.032 0.000 0.939 517 D HN 0.018 nan 8.370 nan 0.000 0.510 518 A N 0.633 123.450 122.820 -0.005 0.000 1.873 518 A HA -0.156 4.133 4.320 -0.051 0.000 0.215 518 A C 2.335 179.926 177.584 0.013 0.000 1.186 518 A CA 2.243 54.282 52.037 0.003 0.000 0.616 518 A CB -1.046 17.957 19.000 0.004 0.000 0.823 518 A HN 0.319 nan 8.150 nan 0.000 0.442 519 Q N -1.518 118.294 119.800 0.019 0.000 2.436 519 Q HA 0.182 4.491 4.340 -0.051 0.000 0.209 519 Q C 1.811 177.846 176.000 0.059 0.000 0.965 519 Q CA 1.585 57.409 55.803 0.035 0.000 0.910 519 Q CB -0.842 27.917 28.738 0.035 0.000 0.980 519 Q HN 0.609 nan 8.270 nan 0.000 0.491 520 M N 1.105 120.729 119.600 0.040 0.000 2.279 520 M HA -0.022 4.428 4.480 -0.051 0.000 0.264 520 M C 2.119 178.448 176.300 0.049 0.000 1.062 520 M CA 1.773 57.093 55.300 0.034 0.000 1.099 520 M CB -0.506 32.073 32.600 -0.036 0.000 1.394 520 M HN 0.622 nan 8.290 nan 0.000 0.426 521 E N -0.569 119.654 120.200 0.039 0.000 2.204 521 E HA 0.054 4.373 4.350 -0.051 0.000 0.194 521 E C 1.995 178.637 176.600 0.069 0.000 0.989 521 E CA 1.561 57.988 56.400 0.045 0.000 0.824 521 E CB -1.555 28.161 29.700 0.026 0.000 0.756 521 E HN 0.657 nan 8.360 nan 0.000 0.477 522 L N -1.021 120.245 121.223 0.072 0.000 2.599 522 L HA 0.470 4.779 4.340 -0.051 0.000 0.230 522 L C 1.474 178.393 176.870 0.081 0.000 1.141 522 L CA 0.481 55.358 54.840 0.062 0.000 0.877 522 L CB -1.535 40.547 42.059 0.039 0.000 1.009 522 L HN 0.563 nan 8.230 nan 0.000 0.447 523 Y N 2.238 122.528 120.300 -0.017 0.000 2.569 523 Y HA 0.408 4.928 4.550 -0.051 0.000 0.332 523 Y C 0.552 176.435 175.900 -0.028 0.000 1.120 523 Y CA 0.634 58.717 58.100 -0.029 0.000 1.416 523 Y CB -0.172 38.276 38.460 -0.020 0.000 1.210 523 Y HN 0.434 nan 8.280 nan 0.000 0.528 524 K N 4.104 124.348 120.400 -0.260 0.000 2.375 524 K HA 0.753 5.043 4.320 -0.051 0.000 0.249 524 K C 0.138 176.432 176.600 -0.510 0.000 0.942 524 K CA -0.457 55.700 56.287 -0.216 0.000 0.806 524 K CB 1.032 33.465 32.500 -0.113 0.000 1.227 524 K HN 0.982 nan 8.250 nan 0.000 0.430 525 G N -0.587 108.034 108.800 -0.299 0.000 2.570 525 G HA2 0.402 4.332 3.960 -0.051 0.000 0.276 525 G HA3 0.402 4.332 3.960 -0.051 0.000 0.276 525 G C -0.034 174.661 174.900 -0.342 0.000 1.346 525 G CA 0.000 44.904 45.100 -0.327 0.000 1.034 525 G HN 0.651 nan 8.290 nan 0.000 0.512 526 Y N -1.251 118.948 120.300 -0.168 0.000 2.490 526 Y HA 0.269 4.787 4.550 -0.052 0.000 0.281 526 Y C 1.553 177.026 175.900 -0.711 0.000 1.174 526 Y CA 0.183 58.009 58.100 -0.456 0.000 1.295 526 Y CB 0.094 38.187 38.460 -0.613 0.000 1.062 526 Y HN 0.394 nan 8.280 nan 0.000 0.522 527 F N -2.507 117.495 119.950 0.086 0.000 2.658 527 F HA 0.365 4.862 4.527 -0.050 0.000 0.293 527 F C 2.006 177.855 175.800 0.081 0.000 0.986 527 F CA 0.388 58.429 58.000 0.069 0.000 1.182 527 F CB -0.059 38.973 39.000 0.053 0.000 0.965 527 F HN -0.158 nan 8.300 nan 0.000 0.659 528 G N 1.761 110.709 108.800 0.248 0.000 2.168 528 G HA2 -0.311 3.619 3.960 -0.051 0.000 0.257 528 G HA3 -0.311 3.619 3.960 -0.051 0.000 0.257 528 G C -0.141 174.902 174.900 0.239 0.000 0.997 528 G CA 0.535 45.752 45.100 0.194 0.000 0.708 528 G HN 0.468 nan 8.290 nan 0.000 0.520 529 D N -0.313 120.239 120.400 0.253 0.000 2.380 529 D HA 0.285 4.894 4.640 -0.051 0.000 0.254 529 D C 2.067 178.319 176.300 -0.081 0.000 1.288 529 D CA -0.350 53.682 54.000 0.054 0.000 1.008 529 D CB 0.101 40.861 40.800 -0.067 0.000 1.099 529 D HN 0.467 nan 8.370 nan 0.000 0.537 530 I N -1.524 118.857 120.570 -0.315 0.000 2.493 530 I HA -0.146 3.993 4.170 -0.051 0.000 0.254 530 I C 0.912 177.041 176.117 0.019 0.000 1.160 530 I CA 0.975 62.157 61.300 -0.195 0.000 1.445 530 I CB -0.696 37.125 38.000 -0.298 0.000 1.086 530 I HN 0.353 nan 8.210 nan 0.000 0.433 531 W N 2.045 123.306 121.300 -0.065 0.000 2.381 531 W HA -0.094 4.537 4.660 -0.048 0.000 0.301 531 W C 2.351 178.903 176.519 0.055 0.000 1.205 531 W CA 0.873 58.205 57.345 -0.022 0.000 1.285 531 W CB -1.216 28.212 29.460 -0.053 0.000 1.133 531 W HN 0.266 nan 8.180 nan 0.000 0.521 532 D N -0.246 120.346 120.400 0.320 0.000 2.183 532 D HA -0.119 4.490 4.640 -0.051 0.000 0.203 532 D C 2.233 178.685 176.300 0.254 0.000 0.969 532 D CA 0.940 55.127 54.000 0.311 0.000 0.842 532 D CB -0.184 40.788 40.800 0.287 0.000 0.957 532 D HN -0.002 nan 8.370 nan 0.000 0.484 533 I N 0.695 121.369 120.570 0.173 0.000 2.202 533 I HA -0.191 3.949 4.170 -0.051 0.000 0.242 533 I C 2.351 178.522 176.117 0.091 0.000 1.091 533 I CA 0.690 62.061 61.300 0.118 0.000 1.368 533 I CB -0.606 37.435 38.000 0.067 0.000 1.058 533 I HN -0.038 nan 8.210 nan 0.000 0.410 534 I N 0.034 120.663 120.570 0.097 0.000 2.315 534 I HA -0.262 3.878 4.170 -0.051 0.000 0.248 534 I C 2.282 178.424 176.117 0.042 0.000 1.117 534 I CA 0.841 62.181 61.300 0.067 0.000 1.404 534 I CB -0.366 37.686 38.000 0.087 0.000 1.071 534 I HN 0.108 nan 8.210 nan 0.000 0.419 535 L N 0.589 121.855 121.223 0.072 0.000 2.131 535 L HA -0.222 4.087 4.340 -0.051 0.000 0.210 535 L C 2.380 179.156 176.870 -0.157 0.000 1.092 535 L CA 1.806 56.651 54.840 0.008 0.000 0.759 535 L CB -0.890 41.230 42.059 0.100 0.000 0.903 535 L HN 0.205 nan 8.230 nan 0.000 0.435 536 K N -0.268 120.056 120.400 -0.126 0.000 2.001 536 K HA -0.182 4.108 4.320 -0.051 0.000 0.208 536 K C 2.261 178.789 176.600 -0.120 0.000 1.048 536 K CA 2.100 58.273 56.287 -0.190 0.000 0.932 536 K CB -0.135 32.365 32.500 0.000 0.000 0.715 536 K HN 0.216 nan 8.250 nan 0.000 0.437 537 K N 0.321 120.689 120.400 -0.054 0.000 2.148 537 K HA 0.036 4.325 4.320 -0.051 0.000 0.204 537 K C 2.064 178.629 176.600 -0.058 0.000 1.050 537 K CA 1.538 57.800 56.287 -0.042 0.000 0.942 537 K CB -0.998 31.491 32.500 -0.017 0.000 0.724 537 K HN 0.443 nan 8.250 nan 0.000 0.446 538 A N -0.119 122.663 122.820 -0.065 0.000 2.067 538 A HA 0.196 4.485 4.320 -0.051 0.000 0.217 538 A C 2.278 179.800 177.584 -0.103 0.000 1.156 538 A CA 1.387 53.382 52.037 -0.070 0.000 0.683 538 A CB -0.097 18.872 19.000 -0.051 0.000 0.808 538 A HN 0.484 nan 8.150 nan 0.000 0.455 539 M N -0.478 119.041 119.600 -0.136 0.000 2.465 539 M HA 0.085 4.534 4.480 -0.051 0.000 0.249 539 M C 1.313 177.526 176.300 -0.146 0.000 1.130 539 M CA 0.499 55.699 55.300 -0.167 0.000 1.067 539 M CB -0.142 32.328 32.600 -0.217 0.000 1.394 539 M HN 0.374 nan 8.290 nan 0.000 0.483 540 K N 1.273 121.601 120.400 -0.121 0.000 2.187 540 K HA 0.045 4.335 4.320 -0.051 0.000 0.247 540 K C 0.612 177.168 176.600 -0.073 0.000 1.019 540 K CA 0.069 56.304 56.287 -0.086 0.000 0.893 540 K CB -0.269 32.192 32.500 -0.065 0.000 1.025 540 K HN 0.430 nan 8.250 nan 0.000 0.500 541 N N -0.869 117.799 118.700 -0.054 0.000 2.756 541 N HA -0.144 4.565 4.740 -0.051 0.000 0.248 541 N C -0.240 175.242 175.510 -0.047 0.000 1.062 541 N CA 1.233 54.258 53.050 -0.041 0.000 0.696 541 N CB -1.464 37.004 38.487 -0.033 0.000 0.946 541 N HN 0.591 nan 8.380 nan 0.000 0.548 542 S N -1.036 114.629 115.700 -0.058 0.000 2.952 542 S HA 0.258 4.697 4.470 -0.051 0.000 0.251 542 S C -0.111 174.447 174.600 -0.070 0.000 1.021 542 S CA -0.216 57.938 58.200 -0.077 0.000 1.067 542 S CB 0.418 63.548 63.200 -0.117 0.000 1.002 542 S HN 0.233 nan 8.310 nan 0.000 0.574 543 V N 1.726 121.614 119.914 -0.042 0.000 2.585 543 V HA 0.415 4.504 4.120 -0.051 0.000 0.296 543 V C 1.607 177.691 176.094 -0.018 0.000 1.035 543 V CA 1.099 63.380 62.300 -0.031 0.000 1.084 543 V CB 0.249 32.063 31.823 -0.014 0.000 0.953 543 V HN 0.638 nan 8.190 nan 0.000 0.483 544 G N 3.742 112.523 108.800 -0.031 0.000 2.213 544 G HA2 -0.189 3.741 3.960 -0.051 0.000 0.236 544 G HA3 -0.189 3.741 3.960 -0.051 0.000 0.236 544 G C 0.086 174.928 174.900 -0.098 0.000 0.991 544 G CA -0.115 44.982 45.100 -0.005 0.000 0.629 544 G HN 0.528 nan 8.290 nan 0.000 0.517 545 L N 2.647 123.763 121.223 -0.178 0.000 2.395 545 L HA 0.365 4.674 4.340 -0.051 0.000 0.269 545 L C -1.334 175.245 176.870 -0.485 0.000 1.133 545 L CA -1.587 53.020 54.840 -0.389 0.000 0.812 545 L CB 0.633 42.534 42.059 -0.263 0.000 1.125 545 L HN 0.051 nan 8.230 nan 0.000 0.452 546 P HA 0.194 nan 4.420 nan 0.000 0.274 546 P C -0.876 176.261 177.300 -0.271 0.000 1.237 546 P CA -0.244 62.558 63.100 -0.496 0.000 0.793 546 P CB 1.747 33.096 31.700 -0.584 0.000 0.977 547 V N 0.577 120.386 119.914 -0.175 0.000 2.925 547 V HA 0.699 4.788 4.120 -0.051 0.000 0.311 547 V C -0.148 175.904 176.094 -0.071 0.000 1.104 547 V CA -0.666 61.573 62.300 -0.102 0.000 0.954 547 V CB 2.018 33.784 31.823 -0.095 0.000 1.022 547 V HN 0.882 nan 8.190 nan 0.000 0.427 548 A N 2.990 125.786 122.820 -0.041 0.000 2.479 548 A HA 0.944 5.233 4.320 -0.051 0.000 0.296 548 A C -1.228 176.327 177.584 -0.047 0.000 1.121 548 A CA -0.612 51.403 52.037 -0.038 0.000 0.743 548 A CB 2.089 21.081 19.000 -0.014 0.000 1.323 548 A HN 0.753 nan 8.150 nan 0.000 0.415 549 V N 0.087 119.967 119.914 -0.056 0.000 2.850 549 V HA 0.532 4.621 4.120 -0.051 0.000 0.315 549 V C -0.195 175.869 176.094 -0.050 0.000 1.064 549 V CA -0.477 61.787 62.300 -0.060 0.000 0.979 549 V CB 1.765 33.546 31.823 -0.070 0.000 1.039 549 V HN 0.973 nan 8.190 nan 0.000 0.452 550 Q N 2.363 122.141 119.800 -0.036 0.000 2.312 550 Q HA 0.510 4.819 4.340 -0.051 0.000 0.263 550 Q C -1.728 174.282 176.000 0.017 0.000 0.995 550 Q CA -0.549 55.242 55.803 -0.020 0.000 0.853 550 Q CB 1.628 30.362 28.738 -0.006 0.000 1.300 550 Q HN 0.807 nan 8.270 nan 0.000 0.448 551 C N 3.728 123.052 119.300 0.039 0.000 2.322 551 C HA 0.619 5.048 4.460 -0.051 0.000 0.324 551 C C -0.599 174.452 174.990 0.102 0.000 1.249 551 C CA -0.760 58.366 59.018 0.180 0.000 1.453 551 C CB 0.540 28.423 27.740 0.239 0.000 2.145 551 C HN 0.580 nan 8.230 nan 0.000 0.466 552 V N 3.162 123.126 119.914 0.083 0.000 2.495 552 V HA 0.883 4.972 4.120 -0.051 0.000 0.298 552 V C 0.354 176.573 176.094 0.209 0.000 1.031 552 V CA -0.107 62.215 62.300 0.037 0.000 0.871 552 V CB 1.517 33.257 31.823 -0.138 0.000 0.988 552 V HN 1.042 nan 8.190 nan 0.000 0.432 553 A N 4.201 127.072 122.820 0.085 0.000 2.389 553 A HA 0.897 5.187 4.320 -0.051 0.000 0.293 553 A C -0.465 176.788 177.584 -0.551 0.000 1.186 553 A CA -0.862 51.170 52.037 -0.009 0.000 0.828 553 A CB 0.960 19.947 19.000 -0.021 0.000 1.369 553 A HN 0.753 nan 8.150 nan 0.000 0.446 554 L N 0.778 121.501 121.223 -0.832 0.000 2.476 554 L HA 0.205 4.515 4.340 -0.051 0.000 0.264 554 L C -1.948 174.406 176.870 -0.861 0.000 1.224 554 L CA -1.412 52.646 54.840 -1.303 0.000 0.821 554 L CB 0.142 41.655 42.059 -0.910 0.000 1.101 554 L HN 0.414 nan 8.230 nan 0.000 0.488 555 P HA -0.099 nan 4.420 nan 0.000 0.267 555 P C -0.683 176.440 177.300 -0.296 0.000 1.200 555 P CA 0.319 63.087 63.100 -0.552 0.000 0.772 555 P CB 0.164 31.587 31.700 -0.462 0.000 0.855 556 W N -0.527 120.699 121.300 -0.124 0.000 2.076 556 W HA -0.215 4.414 4.660 -0.050 0.000 0.252 556 W C 0.548 177.008 176.519 -0.098 0.000 1.003 556 W CA 0.282 57.574 57.345 -0.089 0.000 0.468 556 W CB -2.176 27.233 29.460 -0.084 0.000 2.014 556 W HN 0.351 nan 8.180 nan 0.000 1.377 557 Q N 1.211 121.015 119.800 0.007 0.000 3.207 557 Q HA 0.131 4.441 4.340 -0.051 0.000 0.335 557 Q C 1.110 177.100 176.000 -0.017 0.000 1.374 557 Q CA 0.562 56.352 55.803 -0.021 0.000 1.023 557 Q CB 0.475 29.170 28.738 -0.070 0.000 1.576 557 Q HN 0.357 nan 8.270 nan 0.000 0.515 558 E N 1.186 121.391 120.200 0.008 0.000 2.046 558 E HA -0.179 4.140 4.350 -0.051 0.000 0.190 558 E C 1.713 178.327 176.600 0.023 0.000 0.982 558 E CA 1.192 57.609 56.400 0.027 0.000 0.800 558 E CB 0.264 30.008 29.700 0.073 0.000 0.756 558 E HN 0.470 nan 8.360 nan 0.000 0.449 559 E N 0.840 120.991 120.200 -0.081 0.000 2.110 559 E HA -0.210 4.109 4.350 -0.051 0.000 0.193 559 E C 2.175 178.828 176.600 0.088 0.000 0.988 559 E CA 0.869 57.186 56.400 -0.138 0.000 0.804 559 E CB -0.562 28.828 29.700 -0.518 0.000 0.745 559 E HN 0.235 nan 8.360 nan 0.000 0.458 560 L N 1.581 122.833 121.223 0.050 0.000 2.046 560 L HA -0.118 4.192 4.340 -0.051 0.000 0.208 560 L C 2.649 179.607 176.870 0.146 0.000 1.077 560 L CA 1.725 56.620 54.840 0.091 0.000 0.747 560 L CB -0.967 41.116 42.059 0.041 0.000 0.896 560 L HN 0.358 nan 8.230 nan 0.000 0.432 561 C N -0.461 118.913 119.300 0.122 0.000 2.393 561 C HA -0.211 4.218 4.460 -0.051 0.000 0.276 561 C C 2.788 177.905 174.990 0.211 0.000 1.215 561 C CA 1.394 60.509 59.018 0.162 0.000 1.743 561 C CB -1.163 26.636 27.740 0.098 0.000 2.044 561 C HN 0.624 nan 8.230 nan 0.000 0.464 562 L N 0.712 122.055 121.223 0.200 0.000 2.131 562 L HA -0.119 4.191 4.340 -0.051 0.000 0.210 562 L C 3.041 180.148 176.870 0.396 0.000 1.092 562 L CA 1.629 56.621 54.840 0.253 0.000 0.759 562 L CB -0.837 41.332 42.059 0.183 0.000 0.903 562 L HN 0.424 nan 8.230 nan 0.000 0.435 563 R N 0.432 121.176 120.500 0.407 0.000 2.081 563 R HA -0.232 4.077 4.340 -0.051 0.000 0.235 563 R C 2.330 178.742 176.300 0.186 0.000 1.131 563 R CA 1.875 58.123 56.100 0.247 0.000 0.960 563 R CB -0.671 29.735 30.300 0.177 0.000 0.856 563 R HN 0.339 nan 8.270 nan 0.000 0.436 564 F N 0.816 120.791 119.950 0.040 0.000 2.234 564 F HA -0.113 4.382 4.527 -0.052 0.000 0.299 564 F C 2.289 178.084 175.800 -0.008 0.000 1.087 564 F CA 1.208 59.194 58.000 -0.023 0.000 1.340 564 F CB 0.023 39.002 39.000 -0.036 0.000 1.031 564 F HN -0.017 nan 8.300 nan 0.000 0.500 565 M N -0.311 119.264 119.600 -0.042 0.000 2.229 565 M HA -0.167 4.283 4.480 -0.051 0.000 0.264 565 M C 2.314 178.561 176.300 -0.089 0.000 1.063 565 M CA 1.430 56.656 55.300 -0.123 0.000 1.114 565 M CB -0.381 32.229 32.600 0.016 0.000 1.387 565 M HN 0.073 nan 8.290 nan 0.000 0.420 566 R N 0.437 120.946 120.500 0.014 0.000 2.073 566 R HA -0.212 4.098 4.340 -0.051 0.000 0.234 566 R C 2.000 178.270 176.300 -0.049 0.000 1.134 566 R CA 1.959 58.069 56.100 0.017 0.000 0.952 566 R CB -0.063 30.255 30.300 0.030 0.000 0.850 566 R HN 0.269 nan 8.270 nan 0.000 0.433 567 E N -0.451 119.699 120.200 -0.084 0.000 2.047 567 E HA -0.129 4.191 4.350 -0.051 0.000 0.191 567 E C 1.812 178.321 176.600 -0.151 0.000 0.987 567 E CA 1.494 57.843 56.400 -0.085 0.000 0.799 567 E CB 0.035 29.704 29.700 -0.051 0.000 0.752 567 E HN 0.164 nan 8.360 nan 0.000 0.449 568 V N 1.107 120.836 119.914 -0.309 0.000 2.407 568 V HA -0.234 3.855 4.120 -0.051 0.000 0.248 568 V C 2.377 178.370 176.094 -0.169 0.000 1.055 568 V CA 2.130 64.244 62.300 -0.311 0.000 1.049 568 V CB -0.596 30.904 31.823 -0.540 0.000 0.662 568 V HN 0.402 nan 8.190 nan 0.000 0.455 569 E N -0.192 119.930 120.200 -0.130 0.000 2.051 569 E HA -0.289 4.030 4.350 -0.051 0.000 0.192 569 E C 2.342 178.917 176.600 -0.042 0.000 0.991 569 E CA 1.471 57.833 56.400 -0.064 0.000 0.799 569 E CB -0.181 29.501 29.700 -0.031 0.000 0.748 569 E HN 0.529 nan 8.360 nan 0.000 0.449 570 Q N 0.186 119.962 119.800 -0.040 0.000 2.167 570 Q HA -0.122 4.187 4.340 -0.051 0.000 0.202 570 Q C 2.328 178.318 176.000 -0.016 0.000 0.970 570 Q CA 0.924 56.716 55.803 -0.019 0.000 0.855 570 Q CB 0.073 28.803 28.738 -0.013 0.000 0.911 570 Q HN 0.409 nan 8.270 nan 0.000 0.438 571 L N -0.528 120.679 121.223 -0.027 0.000 2.034 571 L HA -0.146 4.163 4.340 -0.051 0.000 0.203 571 L C 2.464 179.320 176.870 -0.022 0.000 1.074 571 L CA 0.745 55.574 54.840 -0.018 0.000 0.748 571 L CB -0.454 41.594 42.059 -0.017 0.000 0.905 571 L HN 0.193 nan 8.230 nan 0.000 0.439 572 M N -0.819 118.759 119.600 -0.037 0.000 2.288 572 M HA 0.027 4.476 4.480 -0.051 0.000 0.266 572 M C 0.979 177.268 176.300 -0.019 0.000 1.072 572 M CA 0.997 56.278 55.300 -0.033 0.000 1.132 572 M CB -1.056 31.515 32.600 -0.048 0.000 1.386 572 M HN 0.224 nan 8.290 nan 0.000 0.432 573 T N 0.000 114.545 114.554 -0.015 0.000 3.816 573 T HA 0.000 4.319 4.350 -0.051 0.000 0.228 573 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 573 T CB 0.000 68.871 68.868 0.006 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658