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_N 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 0.000 177.568 177.584 -0.027 0.000 1.274 37 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 37 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 38 R N 0.728 121.206 120.500 -0.037 0.000 2.507 38 R HA 0.562 4.902 4.340 -0.000 0.000 0.298 38 R C 1.537 177.913 176.300 0.127 0.000 0.999 38 R CA 1.138 57.234 56.100 -0.007 0.000 1.082 38 R CB -1.060 29.174 30.300 -0.111 0.000 1.246 38 R HN 1.054 nan 8.270 nan 0.000 0.553 39 G N -0.435 108.433 108.800 0.112 0.000 2.598 39 G HA2 0.193 4.153 3.960 -0.000 0.000 0.215 39 G HA3 0.193 4.153 3.960 -0.000 0.000 0.215 39 G C 1.264 176.196 174.900 0.052 0.000 1.131 39 G CA 0.662 45.834 45.100 0.119 0.000 0.785 39 G HN 0.759 nan 8.290 nan 0.000 0.539 40 A N 0.694 123.530 122.820 0.028 0.000 2.810 40 A HA 0.644 4.964 4.320 -0.000 0.000 0.247 40 A C 1.965 179.530 177.584 -0.032 0.000 1.576 40 A CA 0.785 52.820 52.037 -0.003 0.000 1.294 40 A CB -0.475 18.522 19.000 -0.006 0.000 0.976 40 A HN 0.446 nan 8.150 nan 0.000 0.631 41 A N -0.184 122.618 122.820 -0.030 0.000 2.021 41 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 41 A C 2.302 179.809 177.584 -0.128 0.000 1.163 41 A CA 1.734 53.704 52.037 -0.110 0.000 0.676 41 A CB -0.694 18.260 19.000 -0.077 0.000 0.818 41 A HN 0.749 nan 8.150 nan 0.000 0.453 42 T N -2.612 111.904 114.554 -0.063 0.000 2.904 42 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 42 T C 1.955 176.634 174.700 -0.034 0.000 1.059 42 T CA 1.074 63.146 62.100 -0.045 0.000 1.137 42 T CB -0.336 68.520 68.868 -0.021 0.000 0.879 42 T HN 0.406 nan 8.240 nan 0.000 0.467 43 R N 0.867 121.349 120.500 -0.031 0.000 2.120 43 R HA 0.070 4.410 4.340 -0.000 0.000 0.234 43 R C 2.703 178.992 176.300 -0.018 0.000 1.123 43 R CA 1.306 57.397 56.100 -0.015 0.000 0.975 43 R CB -0.572 29.723 30.300 -0.010 0.000 0.866 43 R HN 0.570 nan 8.270 nan 0.000 0.446 44 A N 0.176 122.942 122.820 -0.091 0.000 1.970 44 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 44 A C 2.072 179.622 177.584 -0.056 0.000 1.170 44 A CA 0.791 52.740 52.037 -0.148 0.000 0.645 44 A CB -0.241 18.430 19.000 -0.549 0.000 0.816 44 A HN 0.193 nan 8.150 nan 0.000 0.447 45 R N -0.138 120.311 120.500 -0.086 0.000 2.092 45 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 45 R C 2.354 178.702 176.300 0.080 0.000 1.119 45 R CA 1.791 57.896 56.100 0.009 0.000 0.970 45 R CB -0.165 30.119 30.300 -0.027 0.000 0.864 45 R HN 0.788 nan 8.270 nan 0.000 0.440 46 Q N -0.460 119.374 119.800 0.057 0.000 2.389 46 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 46 Q C 1.472 177.528 176.000 0.095 0.000 0.944 46 Q CA 1.064 56.908 55.803 0.069 0.000 0.908 46 Q CB 0.091 28.856 28.738 0.046 0.000 1.002 46 Q HN 0.079 nan 8.270 nan 0.000 0.493 47 K N 0.459 120.931 120.400 0.120 0.000 2.155 47 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 47 K C 2.122 178.834 176.600 0.186 0.000 1.052 47 K CA 1.257 57.632 56.287 0.147 0.000 0.948 47 K CB 0.085 32.684 32.500 0.165 0.000 0.728 47 K HN 0.427 nan 8.250 nan 0.000 0.448 48 Q N 0.441 120.389 119.800 0.247 0.000 2.046 48 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 48 Q C 2.304 178.389 176.000 0.142 0.000 0.975 48 Q CA 1.847 57.776 55.803 0.211 0.000 0.836 48 Q CB -0.005 28.915 28.738 0.302 0.000 0.896 48 Q HN 0.206 nan 8.270 nan 0.000 0.428 49 R N 0.220 120.796 120.500 0.126 0.000 2.096 49 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 49 R C 1.915 178.277 176.300 0.105 0.000 1.127 49 R CA 1.602 57.761 56.100 0.099 0.000 0.968 49 R CB -1.260 29.088 30.300 0.079 0.000 0.861 49 R HN 0.460 nan 8.270 nan 0.000 0.440 50 A N -0.847 122.037 122.820 0.106 0.000 2.307 50 A HA 0.349 4.669 4.320 -0.000 0.000 0.218 50 A C 1.954 179.616 177.584 0.130 0.000 1.228 50 A CA 0.883 52.983 52.037 0.105 0.000 0.857 50 A CB 0.049 19.102 19.000 0.088 0.000 0.897 50 A HN 0.423 nan 8.150 nan 0.000 0.495 51 S N -0.954 114.835 115.700 0.148 0.000 2.497 51 S HA 0.126 4.596 4.470 -0.000 0.000 0.218 51 S C 1.487 176.189 174.600 0.170 0.000 1.023 51 S CA 0.117 58.432 58.200 0.191 0.000 0.913 51 S CB -0.101 63.223 63.200 0.208 0.000 0.800 51 S HN 0.429 nan 8.310 nan 0.000 0.505 52 L N 2.287 123.600 121.223 0.150 0.000 2.156 52 L HA 0.087 4.427 4.340 -0.000 0.000 0.208 52 L C 2.636 179.661 176.870 0.258 0.000 1.095 52 L CA 1.970 56.920 54.840 0.183 0.000 0.770 52 L CB -0.585 41.547 42.059 0.121 0.000 0.914 52 L HN 0.420 nan 8.230 nan 0.000 0.439 53 E N -1.618 118.688 120.200 0.175 0.000 2.299 53 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 53 E C 2.041 178.677 176.600 0.060 0.000 0.998 53 E CA 1.212 57.689 56.400 0.129 0.000 0.851 53 E CB -1.075 28.688 29.700 0.104 0.000 0.795 53 E HN 0.527 nan 8.360 nan 0.000 0.492 54 T N 0.552 115.144 114.554 0.064 0.000 2.904 54 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 54 T C 2.198 176.822 174.700 -0.126 0.000 1.059 54 T CA 1.332 63.451 62.100 0.031 0.000 1.137 54 T CB -0.226 68.726 68.868 0.141 0.000 0.879 54 T HN 0.384 nan 8.240 nan 0.000 0.467 55 M N 1.200 120.680 119.600 -0.200 0.000 2.077 55 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 55 M C 2.340 178.517 176.300 -0.205 0.000 1.070 55 M CA 1.839 56.955 55.300 -0.307 0.000 1.125 55 M CB -0.479 32.067 32.600 -0.090 0.000 1.339 55 M HN 0.163 nan 8.290 nan 0.000 0.409 56 D N 0.612 120.902 120.400 -0.183 0.000 2.144 56 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 56 D C 2.028 178.156 176.300 -0.288 0.000 0.978 56 D CA 2.117 55.853 54.000 -0.441 0.000 0.833 56 D CB 0.134 40.666 40.800 -0.447 0.000 0.961 56 D HN 0.212 nan 8.370 nan 0.000 0.470 57 K N -0.258 120.051 120.400 -0.152 0.000 2.432 57 K HA 0.417 4.737 4.320 -0.000 0.000 0.196 57 K C 1.768 178.322 176.600 -0.078 0.000 1.038 57 K CA 1.079 57.305 56.287 -0.101 0.000 0.986 57 K CB -0.375 32.096 32.500 -0.048 0.000 0.782 57 K HN 0.312 nan 8.250 nan 0.000 0.485 58 A N 0.374 123.150 122.820 -0.074 0.000 2.288 58 A HA 0.278 4.598 4.320 -0.000 0.000 0.216 58 A C 2.058 179.620 177.584 -0.037 0.000 1.199 58 A CA 0.939 52.966 52.037 -0.016 0.000 0.891 58 A CB 0.025 19.090 19.000 0.108 0.000 0.923 58 A HN 0.758 nan 8.150 nan 0.000 0.500 59 V N -3.270 116.600 119.914 -0.074 0.000 3.649 59 V HA 0.107 4.227 4.120 -0.000 0.000 0.275 59 V C 1.421 177.473 176.094 -0.070 0.000 1.281 59 V CA 1.449 63.714 62.300 -0.058 0.000 1.143 59 V CB -0.172 31.583 31.823 -0.112 0.000 0.892 59 V HN 0.494 nan 8.190 nan 0.000 0.441 60 Q N 0.236 119.969 119.800 -0.112 0.000 2.350 60 Q HA 0.262 4.602 4.340 -0.000 0.000 0.225 60 Q C 2.312 178.257 176.000 -0.092 0.000 0.878 60 Q CA 0.727 56.462 55.803 -0.112 0.000 0.935 60 Q CB 0.462 29.113 28.738 -0.145 0.000 1.099 60 Q HN 0.733 nan 8.270 nan 0.000 0.527 61 R N -0.386 120.063 120.500 -0.085 0.000 2.297 61 R HA 0.026 4.366 4.340 -0.000 0.000 0.197 61 R C 1.161 177.397 176.300 -0.106 0.000 0.943 61 R CA 0.473 56.520 56.100 -0.089 0.000 1.038 61 R CB -0.701 29.556 30.300 -0.072 0.000 0.957 61 R HN 0.312 nan 8.270 nan 0.000 0.484 62 F N 0.396 120.169 119.950 -0.295 0.000 2.383 62 F HA 0.156 4.683 4.527 -0.000 0.000 0.287 62 F C 2.835 178.519 175.800 -0.193 0.000 1.069 62 F CA 1.314 59.118 58.000 -0.327 0.000 1.402 62 F CB 0.203 38.886 39.000 -0.528 0.000 1.116 62 F HN 0.270 nan 8.300 nan 0.000 0.549 63 R N 0.928 121.399 120.500 -0.048 0.000 2.115 63 R HA 0.088 4.428 4.340 -0.000 0.000 0.226 63 R C 2.183 178.391 176.300 -0.153 0.000 1.100 63 R CA 1.543 57.586 56.100 -0.096 0.000 0.980 63 R CB -2.101 28.176 30.300 -0.038 0.000 0.875 63 R HN 0.397 nan 8.270 nan 0.000 0.445 64 L N -0.379 120.760 121.223 -0.141 0.000 1.976 64 L HA 0.018 4.357 4.340 -0.000 0.000 0.209 64 L C 2.930 179.696 176.870 -0.174 0.000 1.071 64 L CA 3.003 57.763 54.840 -0.134 0.000 0.746 64 L CB -1.966 40.029 42.059 -0.107 0.000 0.890 64 L HN 0.667 nan 8.230 nan 0.000 0.432 65 Q N -0.707 118.961 119.800 -0.219 0.000 2.500 65 Q HA 0.000 4.340 4.340 -0.000 0.000 0.213 65 Q C 1.002 176.788 176.000 -0.356 0.000 0.974 65 Q CA 1.318 56.970 55.803 -0.251 0.000 0.918 65 Q CB -0.845 27.756 28.738 -0.228 0.000 0.980 65 Q HN 0.932 nan 8.270 nan 0.000 0.505 66 N N -0.142 118.288 118.700 -0.449 0.000 2.722 66 N HA 0.240 4.980 4.740 -0.000 0.000 0.242 66 N C -2.726 172.616 175.510 -0.279 0.000 1.398 66 N CA -0.870 51.917 53.050 -0.439 0.000 0.755 66 N CB 2.069 40.094 38.487 -0.770 0.000 1.268 66 N HN 0.131 nan 8.380 nan 0.000 0.522 67 P HA 0.236 nan 4.420 nan 0.000 0.258 67 P C 0.130 177.380 177.300 -0.084 0.000 1.416 67 P CA 0.362 63.391 63.100 -0.117 0.000 0.927 67 P CB 0.170 31.809 31.700 -0.100 0.000 1.444 68 D N -0.889 119.460 120.400 -0.085 0.000 2.454 68 D HA 0.324 4.964 4.640 -0.000 0.000 0.219 68 D C 1.097 177.374 176.300 -0.037 0.000 1.081 68 D CA 0.251 54.218 54.000 -0.056 0.000 0.867 68 D CB -0.224 40.543 40.800 -0.055 0.000 1.054 68 D HN 0.236 nan 8.370 nan 0.000 0.500 69 L N 0.806 122.008 121.223 -0.034 0.000 2.439 69 L HA 0.598 4.937 4.340 -0.000 0.000 0.269 69 L C 0.248 177.118 176.870 -0.001 0.000 1.179 69 L CA -0.314 54.525 54.840 -0.002 0.000 0.828 69 L CB 0.651 42.731 42.059 0.035 0.000 1.106 69 L HN 0.219 nan 8.230 nan 0.000 0.467 70 D N 0.776 121.177 120.400 0.001 0.000 2.380 70 D HA 0.417 5.057 4.640 -0.000 0.000 0.230 70 D C 1.065 177.354 176.300 -0.018 0.000 1.154 70 D CA 0.506 54.500 54.000 -0.009 0.000 0.859 70 D CB 1.378 42.173 40.800 -0.009 0.000 1.045 70 D HN 0.574 nan 8.370 nan 0.000 0.495 71 S N 2.804 118.487 115.700 -0.028 0.000 2.348 71 S HA -0.087 4.383 4.470 -0.000 0.000 0.219 71 S C 2.039 176.593 174.600 -0.076 0.000 1.033 71 S CA 1.143 59.310 58.200 -0.055 0.000 0.974 71 S CB -0.249 62.922 63.200 -0.048 0.000 0.868 71 S HN 0.690 nan 8.310 nan 0.000 0.459 72 E N 0.775 120.943 120.200 -0.054 0.000 2.409 72 E HA 0.278 4.628 4.350 -0.000 0.000 0.198 72 E C 1.609 178.183 176.600 -0.043 0.000 1.024 72 E CA 1.074 57.443 56.400 -0.051 0.000 0.861 72 E CB -0.680 28.998 29.700 -0.036 0.000 0.788 72 E HN 0.602 nan 8.360 nan 0.000 0.521 73 A N -0.812 121.986 122.820 -0.037 0.000 2.343 73 A HA 0.477 4.797 4.320 -0.000 0.000 0.223 73 A C 1.958 179.526 177.584 -0.027 0.000 1.214 73 A CA 0.542 52.565 52.037 -0.024 0.000 0.900 73 A CB 0.105 19.098 19.000 -0.012 0.000 0.942 73 A HN 0.385 nan 8.150 nan 0.000 0.507 74 L N 0.181 121.372 121.223 -0.054 0.000 2.007 74 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 74 L C 2.155 178.957 176.870 -0.113 0.000 1.073 74 L CA 1.919 56.715 54.840 -0.073 0.000 0.744 74 L CB -1.015 40.982 42.059 -0.102 0.000 0.898 74 L HN 0.407 nan 8.230 nan 0.000 0.435 75 L N -0.688 120.408 121.223 -0.211 0.000 2.127 75 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 75 L C 2.171 179.029 176.870 -0.020 0.000 1.089 75 L CA 1.714 56.398 54.840 -0.261 0.000 0.757 75 L CB -1.539 40.345 42.059 -0.291 0.000 0.899 75 L HN 0.453 nan 8.230 nan 0.000 0.434 76 T N -3.009 111.536 114.554 -0.015 0.000 3.148 76 T HA 0.139 4.489 4.350 -0.000 0.000 0.253 76 T C 0.685 175.409 174.700 0.040 0.000 1.134 76 T CA -0.291 61.823 62.100 0.023 0.000 1.051 76 T CB -0.214 68.658 68.868 0.007 0.000 0.959 76 T HN -0.128 nan 8.240 nan 0.000 0.525 77 L N 3.365 124.615 121.223 0.044 0.000 2.534 77 L HA 0.339 4.679 4.340 -0.000 0.000 0.271 77 L C -2.052 174.866 176.870 0.080 0.000 1.178 77 L CA -2.450 52.425 54.840 0.057 0.000 0.907 77 L CB -0.131 41.963 42.059 0.059 0.000 1.164 77 L HN 0.075 nan 8.230 nan 0.000 0.482 78 P HA -0.035 nan 4.420 nan 0.000 0.268 78 P C 0.925 178.264 177.300 0.065 0.000 1.208 78 P CA -0.414 62.725 63.100 0.065 0.000 0.777 78 P CB 0.584 32.316 31.700 0.053 0.000 0.875 79 L N 2.957 124.213 121.223 0.055 0.000 2.043 79 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 79 L C 1.822 178.714 176.870 0.038 0.000 1.075 79 L CA 1.986 56.849 54.840 0.039 0.000 0.752 79 L CB -1.107 40.957 42.059 0.009 0.000 0.891 79 L HN 0.272 nan 8.230 nan 0.000 0.432 80 L N -0.790 120.456 121.223 0.039 0.000 1.978 80 L HA -0.302 4.038 4.340 -0.000 0.000 0.218 80 L C 2.607 179.502 176.870 0.042 0.000 1.075 80 L CA 2.081 56.945 54.840 0.039 0.000 0.767 80 L CB -1.874 40.211 42.059 0.044 0.000 0.890 80 L HN 0.444 nan 8.230 nan 0.000 0.434 81 Q N -0.899 118.927 119.800 0.044 0.000 2.079 81 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 81 Q C 2.244 178.275 176.000 0.052 0.000 0.974 81 Q CA 1.186 57.015 55.803 0.044 0.000 0.840 81 Q CB -0.354 28.409 28.738 0.042 0.000 0.898 81 Q HN 0.343 nan 8.270 nan 0.000 0.430 82 L N 0.232 121.490 121.223 0.060 0.000 2.042 82 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 82 L C 2.146 179.058 176.870 0.071 0.000 1.076 82 L CA 1.552 56.436 54.840 0.073 0.000 0.749 82 L CB -0.692 41.425 42.059 0.098 0.000 0.893 82 L HN 0.159 nan 8.230 nan 0.000 0.432 83 V N 0.119 120.068 119.914 0.058 0.000 2.358 83 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 83 V C 2.571 178.712 176.094 0.078 0.000 1.047 83 V CA 2.017 64.356 62.300 0.065 0.000 1.035 83 V CB -0.406 31.444 31.823 0.043 0.000 0.658 83 V HN 0.901 nan 8.190 nan 0.000 0.452 84 Q N -0.234 119.602 119.800 0.059 0.000 2.230 84 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 84 Q C 2.154 178.186 176.000 0.053 0.000 0.963 84 Q CA 1.838 57.671 55.803 0.051 0.000 0.866 84 Q CB -0.552 28.208 28.738 0.037 0.000 0.931 84 Q HN 0.547 nan 8.270 nan 0.000 0.452 85 K N -0.281 120.155 120.400 0.060 0.000 2.217 85 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 85 K C 1.640 178.289 176.600 0.081 0.000 1.051 85 K CA 0.506 56.829 56.287 0.061 0.000 0.952 85 K CB 0.049 32.584 32.500 0.058 0.000 0.736 85 K HN 0.235 nan 8.250 nan 0.000 0.453 86 L N 1.109 122.398 121.223 0.110 0.000 2.093 86 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 86 L C 2.382 179.345 176.870 0.154 0.000 1.085 86 L CA 1.736 56.681 54.840 0.174 0.000 0.755 86 L CB -0.928 41.275 42.059 0.240 0.000 0.904 86 L HN 0.195 nan 8.230 nan 0.000 0.435 87 Q N 0.101 119.957 119.800 0.094 0.000 2.083 87 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 87 Q C 1.972 177.959 176.000 -0.022 0.000 0.969 87 Q CA 1.655 57.464 55.803 0.009 0.000 0.838 87 Q CB -0.101 28.645 28.738 0.015 0.000 0.900 87 Q HN 0.532 nan 8.270 nan 0.000 0.436 88 S N -1.635 114.069 115.700 0.008 0.000 2.710 88 S HA 0.408 4.878 4.470 -0.000 0.000 0.224 88 S C 1.170 175.778 174.600 0.013 0.000 0.948 88 S CA 0.175 58.377 58.200 0.003 0.000 0.949 88 S CB 0.078 63.284 63.200 0.010 0.000 0.778 88 S HN 0.575 nan 8.310 nan 0.000 0.498 89 G N 1.290 110.104 108.800 0.023 0.000 2.176 89 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.253 89 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.253 89 G C 0.604 175.536 174.900 0.053 0.000 0.979 89 G CA 0.436 45.558 45.100 0.036 0.000 0.641 89 G HN 0.529 nan 8.290 nan 0.000 0.530 90 E N -0.555 119.677 120.200 0.053 0.000 2.028 90 E HA 0.117 4.467 4.350 -0.000 0.000 0.191 90 E C 0.951 177.590 176.600 0.065 0.000 0.988 90 E CA 0.555 56.985 56.400 0.051 0.000 0.799 90 E CB -0.026 29.700 29.700 0.043 0.000 0.755 90 E HN 0.562 nan 8.360 nan 0.000 0.447 91 L N 1.149 122.420 121.223 0.081 0.000 2.289 91 L HA 0.183 4.523 4.340 -0.000 0.000 0.285 91 L C 0.171 177.117 176.870 0.125 0.000 1.049 91 L CA -0.679 54.220 54.840 0.099 0.000 0.804 91 L CB 1.684 43.799 42.059 0.094 0.000 1.195 91 L HN -0.004 nan 8.230 nan 0.000 0.428 92 S N 3.174 118.956 115.700 0.138 0.000 2.584 92 S HA 0.346 4.816 4.470 -0.000 0.000 0.273 92 S C -1.534 173.159 174.600 0.154 0.000 1.311 92 S CA -1.094 57.202 58.200 0.160 0.000 1.034 92 S CB 1.068 64.365 63.200 0.163 0.000 0.939 92 S HN 0.505 nan 8.310 nan 0.000 0.513 93 P HA -0.117 nan 4.420 nan 0.000 0.218 93 P C 0.839 178.164 177.300 0.042 0.000 1.148 93 P CA 1.243 64.346 63.100 0.005 0.000 0.822 93 P CB 0.034 31.662 31.700 -0.119 0.000 0.784 94 E N 0.406 120.700 120.200 0.157 0.000 2.077 94 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 94 E C 2.317 179.035 176.600 0.197 0.000 0.989 94 E CA 1.623 58.207 56.400 0.307 0.000 0.800 94 E CB -1.044 28.945 29.700 0.483 0.000 0.746 94 E HN 0.210 nan 8.360 nan 0.000 0.452 95 A N 0.639 123.610 122.820 0.251 0.000 1.877 95 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 95 A C 2.515 180.144 177.584 0.074 0.000 1.186 95 A CA 1.958 54.156 52.037 0.268 0.000 0.620 95 A CB -1.018 18.147 19.000 0.276 0.000 0.822 95 A HN 0.250 nan 8.150 nan 0.000 0.443 96 V N -3.242 116.712 119.914 0.066 0.000 2.548 96 V HA -0.126 3.993 4.120 -0.000 0.000 0.249 96 V C 2.255 178.363 176.094 0.023 0.000 1.055 96 V CA 1.882 64.215 62.300 0.055 0.000 1.065 96 V CB -1.145 30.735 31.823 0.096 0.000 0.681 96 V HN 0.466 nan 8.190 nan 0.000 0.462 97 F N 1.157 120.962 119.950 -0.242 0.000 2.060 97 F HA 0.003 4.530 4.527 -0.000 0.000 0.295 97 F C 2.008 177.498 175.800 -0.518 0.000 1.120 97 F CA 1.897 59.622 58.000 -0.458 0.000 1.205 97 F CB -0.225 38.398 39.000 -0.629 0.000 0.986 97 F HN 0.128 nan 8.300 nan 0.000 0.470 98 F N 0.234 119.794 119.950 -0.649 0.000 2.604 98 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 98 F C 2.252 177.721 175.800 -0.552 0.000 1.131 98 F CA 1.099 58.593 58.000 -0.844 0.000 1.457 98 F CB -0.660 37.580 39.000 -1.267 0.000 1.095 98 F HN -0.052 nan 8.300 nan 0.000 0.574 99 T N -1.356 113.046 114.554 -0.254 0.000 2.809 99 T HA -0.159 4.191 4.350 -0.000 0.000 0.260 99 T C 1.540 176.078 174.700 -0.270 0.000 1.039 99 T CA 1.197 63.177 62.100 -0.201 0.000 1.141 99 T CB -0.414 68.337 68.868 -0.195 0.000 0.869 99 T HN 0.140 nan 8.240 nan 0.000 0.437 100 Y N 1.088 121.216 120.300 -0.288 0.000 2.220 100 Y HA 0.138 4.687 4.550 -0.000 0.000 0.291 100 Y C 2.236 177.940 175.900 -0.327 0.000 1.129 100 Y CA 0.209 58.128 58.100 -0.303 0.000 1.161 100 Y CB -0.447 37.768 38.460 -0.409 0.000 0.997 100 Y HN 0.092 nan 8.280 nan 0.000 0.522 101 L N -0.826 120.159 121.223 -0.396 0.000 2.127 101 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 101 L C 2.288 179.112 176.870 -0.077 0.000 1.089 101 L CA 1.702 56.362 54.840 -0.300 0.000 0.757 101 L CB -0.999 40.635 42.059 -0.707 0.000 0.899 101 L HN 0.400 nan 8.230 nan 0.000 0.434 102 G N -0.288 108.449 108.800 -0.105 0.000 2.421 102 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 102 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 102 G C 1.629 176.577 174.900 0.080 0.000 1.171 102 G CA 0.769 45.856 45.100 -0.022 0.000 0.775 102 G HN 0.188 nan 8.290 nan 0.000 0.543 103 K N 1.015 121.437 120.400 0.036 0.000 2.057 103 K HA 0.180 4.500 4.320 -0.000 0.000 0.206 103 K C 2.714 179.404 176.600 0.151 0.000 1.050 103 K CA 1.349 57.682 56.287 0.077 0.000 0.935 103 K CB -0.698 31.816 32.500 0.024 0.000 0.715 103 K HN 0.176 nan 8.250 nan 0.000 0.439 104 A N -0.535 122.405 122.820 0.200 0.000 1.933 104 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 104 A C 2.139 179.825 177.584 0.170 0.000 1.175 104 A CA 1.546 53.718 52.037 0.225 0.000 0.628 104 A CB -1.100 18.139 19.000 0.397 0.000 0.814 104 A HN 0.621 nan 8.150 nan 0.000 0.444 105 W N 0.565 121.880 121.300 0.026 0.000 2.333 105 W HA -0.205 4.455 4.660 -0.000 0.000 0.316 105 W C 2.115 178.634 176.519 -0.000 0.000 1.215 105 W CA 2.204 59.548 57.345 -0.002 0.000 1.278 105 W CB -0.122 29.320 29.460 -0.030 0.000 1.154 105 W HN 0.438 nan 8.180 nan 0.000 0.486 106 E N -0.599 119.778 120.200 0.296 0.000 2.107 106 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 106 E C 2.146 178.738 176.600 -0.013 0.000 0.982 106 E CA 2.095 58.617 56.400 0.204 0.000 0.809 106 E CB -0.315 29.530 29.700 0.242 0.000 0.756 106 E HN 0.301 nan 8.360 nan 0.000 0.459 107 V N -0.682 119.229 119.914 -0.005 0.000 2.788 107 V HA -0.073 4.047 4.120 -0.000 0.000 0.251 107 V C 1.859 177.904 176.094 -0.083 0.000 1.068 107 V CA 1.653 63.932 62.300 -0.034 0.000 1.090 107 V CB -0.617 31.209 31.823 0.005 0.000 0.710 107 V HN 0.135 nan 8.190 nan 0.000 0.467 108 N N 1.266 119.890 118.700 -0.126 0.000 2.272 108 N HA -0.235 4.505 4.740 -0.000 0.000 0.185 108 N C 1.805 177.172 175.510 -0.240 0.000 1.014 108 N CA 1.827 54.771 53.050 -0.177 0.000 0.870 108 N CB -0.431 37.932 38.487 -0.207 0.000 0.975 108 N HN 0.602 nan 8.380 nan 0.000 0.433 109 K N -1.257 118.943 120.400 -0.334 0.000 2.097 109 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 109 K C 1.474 177.976 176.600 -0.164 0.000 1.049 109 K CA 1.399 57.499 56.287 -0.312 0.000 0.933 109 K CB -0.241 32.038 32.500 -0.368 0.000 0.717 109 K HN 0.326 nan 8.250 nan 0.000 0.442 110 G N -1.289 107.439 108.800 -0.119 0.000 3.159 110 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.232 110 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.232 110 G C 0.993 175.862 174.900 -0.051 0.000 1.116 110 G CA 0.545 45.602 45.100 -0.072 0.000 0.767 110 G HN 0.429 nan 8.290 nan 0.000 0.547 111 T N -3.005 111.514 114.554 -0.058 0.000 3.075 111 T HA 0.120 4.470 4.350 -0.000 0.000 0.251 111 T C 0.889 175.571 174.700 -0.030 0.000 0.979 111 T CA 0.570 62.652 62.100 -0.030 0.000 1.033 111 T CB -0.135 68.724 68.868 -0.014 0.000 1.104 111 T HN 0.218 nan 8.240 nan 0.000 0.473 112 N N 0.849 119.517 118.700 -0.054 0.000 2.671 112 N HA -0.191 4.549 4.740 -0.000 0.000 0.261 112 N C 0.512 176.004 175.510 -0.030 0.000 1.053 112 N CA 0.637 53.661 53.050 -0.043 0.000 0.732 112 N CB -1.683 36.794 38.487 -0.016 0.000 0.887 112 N HN 0.822 nan 8.380 nan 0.000 0.546 113 C N -1.619 117.653 119.300 -0.046 0.000 3.038 113 C HA 0.595 5.055 4.460 -0.000 0.000 0.279 113 C C 0.570 175.511 174.990 -0.081 0.000 1.276 113 C CA -0.500 58.492 59.018 -0.044 0.000 1.697 113 C CB -0.920 26.806 27.740 -0.023 0.000 2.032 113 C HN 0.260 nan 8.230 nan 0.000 0.636 114 V N 1.819 121.675 119.914 -0.097 0.000 2.378 114 V HA 0.340 4.460 4.120 -0.000 0.000 0.288 114 V C 0.833 176.832 176.094 -0.157 0.000 1.016 114 V CA 0.377 62.603 62.300 -0.124 0.000 0.840 114 V CB 1.353 33.121 31.823 -0.092 0.000 0.994 114 V HN 0.432 nan 8.190 nan 0.000 0.431 115 T N 2.324 116.729 114.554 -0.249 0.000 2.983 115 T HA 0.096 4.445 4.350 -0.000 0.000 0.250 115 T C 0.638 175.157 174.700 -0.303 0.000 1.037 115 T CA 1.202 63.000 62.100 -0.503 0.000 1.142 115 T CB 0.249 68.650 68.868 -0.778 0.000 0.876 115 T HN 0.761 nan 8.240 nan 0.000 0.455 116 S N 0.104 115.724 115.700 -0.134 0.000 2.562 116 S HA 0.434 4.904 4.470 -0.000 0.000 0.274 116 S C -1.307 173.283 174.600 -0.017 0.000 1.160 116 S CA -0.972 57.231 58.200 0.005 0.000 0.933 116 S CB 0.694 63.958 63.200 0.107 0.000 1.100 116 S HN 0.340 nan 8.310 nan 0.000 0.468 117 Y N 4.711 124.982 120.300 -0.048 0.000 2.377 117 Y HA 0.511 5.061 4.550 -0.000 0.000 0.330 117 Y C -0.318 175.520 175.900 -0.102 0.000 1.108 117 Y CA -0.684 57.377 58.100 -0.064 0.000 1.308 117 Y CB 0.519 39.008 38.460 0.048 0.000 1.216 117 Y HN 0.640 nan 8.280 nan 0.000 0.518 118 L N 7.929 128.647 121.223 -0.841 0.000 2.448 118 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 118 L C 1.724 178.089 176.870 -0.842 0.000 1.201 118 L CA 0.596 54.814 54.840 -1.036 0.000 1.036 118 L CB -0.912 40.352 42.059 -1.325 0.000 1.325 118 L HN 1.008 nan 8.230 nan 0.000 0.441 119 T N -1.744 112.576 114.554 -0.391 0.000 2.778 119 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 119 T C 0.993 175.640 174.700 -0.087 0.000 1.050 119 T CA 1.344 63.334 62.100 -0.183 0.000 1.137 119 T CB -0.261 68.674 68.868 0.111 0.000 0.860 119 T HN 0.613 nan 8.240 nan 0.000 0.468 120 D N 0.594 120.962 120.400 -0.053 0.000 2.400 120 D HA 0.081 4.721 4.640 -0.000 0.000 0.243 120 D C 0.384 176.652 176.300 -0.054 0.000 1.184 120 D CA -0.392 53.611 54.000 0.005 0.000 0.853 120 D CB -1.207 39.640 40.800 0.079 0.000 0.944 120 D HN 0.401 nan 8.370 nan 0.000 0.501 121 C N 0.618 119.824 119.300 -0.157 0.000 2.705 121 C HA 0.010 4.470 4.460 -0.000 0.000 0.348 121 C C 1.708 176.618 174.990 -0.134 0.000 1.386 121 C CA 0.108 59.002 59.018 -0.207 0.000 2.361 121 C CB 0.130 27.741 27.740 -0.216 0.000 2.486 121 C HN 0.584 nan 8.230 nan 0.000 0.728 122 E N -1.918 118.097 120.200 -0.310 0.000 4.205 122 E HA -0.279 4.071 4.350 -0.000 0.000 0.310 122 E C 1.036 177.601 176.600 -0.059 0.000 0.654 122 E CA 1.674 57.989 56.400 -0.142 0.000 1.279 122 E CB -1.598 28.178 29.700 0.128 0.000 1.720 122 E HN 0.923 nan 8.360 nan 0.000 0.403 123 T N -1.986 112.535 114.554 -0.054 0.000 3.065 123 T HA 0.075 4.425 4.350 -0.000 0.000 0.252 123 T C 1.540 176.197 174.700 -0.072 0.000 1.099 123 T CA 0.981 63.058 62.100 -0.038 0.000 1.063 123 T CB 0.271 69.135 68.868 -0.006 0.000 0.948 123 T HN 0.032 nan 8.240 nan 0.000 0.506 124 Q N 0.500 120.220 119.800 -0.133 0.000 2.398 124 Q HA 0.359 4.699 4.340 -0.000 0.000 0.204 124 Q C 1.852 177.720 176.000 -0.221 0.000 0.932 124 Q CA 0.596 56.301 55.803 -0.162 0.000 0.916 124 Q CB -0.471 28.161 28.738 -0.177 0.000 1.024 124 Q HN 0.532 nan 8.270 nan 0.000 0.504 125 L N -1.068 119.992 121.223 -0.272 0.000 2.068 125 L HA -0.049 4.291 4.340 -0.000 0.000 0.204 125 L C 2.243 179.058 176.870 -0.091 0.000 1.076 125 L CA 0.974 55.671 54.840 -0.239 0.000 0.753 125 L CB -0.452 41.444 42.059 -0.271 0.000 0.910 125 L HN 0.122 nan 8.230 nan 0.000 0.439 126 S N -0.515 115.154 115.700 -0.052 0.000 2.370 126 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 126 S C 1.372 175.978 174.600 0.010 0.000 1.033 126 S CA 1.753 59.953 58.200 0.000 0.000 1.011 126 S CB -0.227 62.977 63.200 0.007 0.000 0.852 126 S HN 0.560 nan 8.310 nan 0.000 0.457 127 Q N -0.344 119.450 119.800 -0.010 0.000 2.851 127 Q HA 0.757 5.097 4.340 -0.000 0.000 0.331 127 Q C -0.510 175.489 176.000 -0.001 0.000 0.979 127 Q CA -0.066 55.739 55.803 0.003 0.000 0.955 127 Q CB 0.659 29.395 28.738 -0.004 0.000 1.298 127 Q HN 0.509 nan 8.270 nan 0.000 0.432 128 A N 1.861 124.701 122.820 0.034 0.000 2.303 128 A HA 0.850 5.170 4.320 -0.000 0.000 0.320 128 A C -2.608 175.078 177.584 0.169 0.000 1.192 128 A CA -1.701 50.369 52.037 0.056 0.000 0.821 128 A CB 0.771 19.754 19.000 -0.029 0.000 1.188 128 A HN 0.474 nan 8.150 nan 0.000 0.492 129 P HA 0.191 nan 4.420 nan 0.000 0.267 129 P C 0.679 178.064 177.300 0.141 0.000 1.205 129 P CA -0.298 62.858 63.100 0.092 0.000 0.765 129 P CB 0.698 32.420 31.700 0.037 0.000 0.828 130 R N 2.778 123.279 120.500 0.001 0.000 2.100 130 R HA -0.066 4.274 4.340 -0.000 0.000 0.220 130 R C 1.976 178.142 176.300 -0.222 0.000 1.091 130 R CA 1.552 57.512 56.100 -0.233 0.000 0.986 130 R CB -0.336 29.825 30.300 -0.232 0.000 0.888 130 R HN 0.600 nan 8.270 nan 0.000 0.444 131 Q N 0.266 120.017 119.800 -0.081 0.000 2.320 131 Q HA 0.207 4.547 4.340 -0.000 0.000 0.201 131 Q C 0.679 176.684 176.000 0.008 0.000 0.910 131 Q CA 0.414 56.191 55.803 -0.044 0.000 0.946 131 Q CB 0.134 28.854 28.738 -0.030 0.000 1.062 131 Q HN 0.427 nan 8.270 nan 0.000 0.503 132 G N 0.662 109.488 108.800 0.043 0.000 2.225 132 G HA2 0.256 4.216 3.960 -0.000 0.000 0.245 132 G HA3 0.256 4.216 3.960 -0.000 0.000 0.245 132 G C 0.753 175.691 174.900 0.062 0.000 1.249 132 G CA -0.470 44.663 45.100 0.054 0.000 0.919 132 G HN 0.347 nan 8.290 nan 0.000 0.486 133 L N 2.105 123.341 121.223 0.021 0.000 2.549 133 L HA 0.057 4.397 4.340 -0.000 0.000 0.229 133 L C 1.229 178.104 176.870 0.008 0.000 1.158 133 L CA 1.263 56.109 54.840 0.009 0.000 0.842 133 L CB -0.913 41.134 42.059 -0.019 0.000 0.952 133 L HN 0.512 nan 8.230 nan 0.000 0.452 134 L N -2.820 118.409 121.223 0.011 0.000 2.556 134 L HA 0.170 4.510 4.340 -0.000 0.000 0.243 134 L C 0.944 177.822 176.870 0.015 0.000 1.331 134 L CA -0.315 54.526 54.840 0.001 0.000 0.927 134 L CB 0.077 42.110 42.059 -0.043 0.000 1.219 134 L HN -0.110 nan 8.230 nan 0.000 0.490 135 Y N 1.789 122.066 120.300 -0.038 0.000 2.133 135 Y HA -0.074 4.476 4.550 -0.000 0.000 0.287 135 Y C 2.011 177.887 175.900 -0.041 0.000 1.134 135 Y CA 1.936 60.014 58.100 -0.037 0.000 1.133 135 Y CB 0.316 38.762 38.460 -0.024 0.000 0.987 135 Y HN 0.486 nan 8.280 nan 0.000 0.502 136 G N -0.070 108.552 108.800 -0.296 0.000 2.539 136 G HA2 0.017 3.977 3.960 -0.000 0.000 0.215 136 G HA3 0.017 3.977 3.960 -0.000 0.000 0.215 136 G C 0.142 174.883 174.900 -0.265 0.000 1.141 136 G CA 0.358 45.221 45.100 -0.394 0.000 0.806 136 G HN 0.152 nan 8.290 nan 0.000 0.533 137 V N 3.438 123.248 119.914 -0.172 0.000 2.599 137 V HA 0.180 4.300 4.120 -0.000 0.000 0.300 137 V C -1.798 174.204 176.094 -0.154 0.000 1.034 137 V CA -1.227 60.987 62.300 -0.142 0.000 1.115 137 V CB 1.138 32.895 31.823 -0.110 0.000 0.934 137 V HN 0.165 nan 8.190 nan 0.000 0.485 138 P HA 0.308 nan 4.420 nan 0.000 0.287 138 P C -0.704 176.615 177.300 0.032 0.000 1.281 138 P CA -0.163 62.851 63.100 -0.144 0.000 0.781 138 P CB 1.432 32.832 31.700 -0.500 0.000 0.903 139 V N 1.171 121.208 119.914 0.204 0.000 2.435 139 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 139 V C 0.052 176.180 176.094 0.056 0.000 1.030 139 V CA -0.797 61.571 62.300 0.113 0.000 0.881 139 V CB 1.239 33.042 31.823 -0.032 0.000 0.983 139 V HN 0.554 nan 8.190 nan 0.000 0.445 140 S N 5.941 121.595 115.700 -0.077 0.000 2.523 140 S HA 0.730 5.200 4.470 -0.000 0.000 0.275 140 S C -0.416 174.009 174.600 -0.291 0.000 1.281 140 S CA -0.685 57.319 58.200 -0.327 0.000 1.050 140 S CB 0.802 63.853 63.200 -0.248 0.000 0.937 140 S HN 0.769 nan 8.310 nan 0.000 0.492 141 L N 2.316 123.352 121.223 -0.311 0.000 2.329 141 L HA 0.497 4.837 4.340 -0.000 0.000 0.279 141 L C 0.364 177.129 176.870 -0.174 0.000 1.014 141 L CA -0.821 53.840 54.840 -0.299 0.000 0.814 141 L CB 1.663 43.628 42.059 -0.157 0.000 1.257 141 L HN 0.680 nan 8.230 nan 0.000 0.424 142 K N 1.717 121.978 120.400 -0.232 0.000 2.401 142 K HA -0.031 4.289 4.320 -0.000 0.000 0.278 142 K C 1.088 177.754 176.600 0.109 0.000 1.018 142 K CA 0.021 56.318 56.287 0.016 0.000 0.981 142 K CB 0.932 33.545 32.500 0.188 0.000 0.933 142 K HN 0.698 nan 8.250 nan 0.000 0.477 143 E N 2.821 122.977 120.200 -0.073 0.000 2.265 143 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 143 E C 1.135 177.519 176.600 -0.360 0.000 0.996 143 E CA 1.414 57.550 56.400 -0.441 0.000 0.832 143 E CB -0.286 29.205 29.700 -0.348 0.000 0.756 143 E HN 0.724 nan 8.360 nan 0.000 0.491 144 C N -0.117 119.169 119.300 -0.022 0.000 2.546 144 C HA 0.280 4.740 4.460 -0.000 0.000 0.275 144 C C 0.262 175.271 174.990 0.032 0.000 1.393 144 C CA -1.008 58.012 59.018 0.004 0.000 1.703 144 C CB -1.986 25.750 27.740 -0.007 0.000 1.710 144 C HN 0.139 nan 8.230 nan 0.000 0.581 145 F N 3.188 123.144 119.950 0.010 0.000 2.335 145 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 145 F C 1.135 177.067 175.800 0.221 0.000 1.122 145 F CA -0.351 57.715 58.000 0.109 0.000 1.151 145 F CB 0.545 39.619 39.000 0.124 0.000 1.282 145 F HN 0.232 nan 8.300 nan 0.000 0.513 146 S N 4.152 120.007 115.700 0.258 0.000 2.481 146 S HA 0.134 4.604 4.470 -0.000 0.000 0.282 146 S C -0.804 173.954 174.600 0.262 0.000 1.243 146 S CA -0.354 57.998 58.200 0.253 0.000 1.078 146 S CB -0.100 63.183 63.200 0.138 0.000 0.916 146 S HN 0.526 nan 8.310 nan 0.000 0.495 147 Y N 2.385 122.804 120.300 0.198 0.000 2.360 147 Y HA 0.487 5.036 4.550 -0.000 0.000 0.337 147 Y C 0.607 176.564 175.900 0.094 0.000 1.039 147 Y CA -0.432 57.700 58.100 0.055 0.000 1.109 147 Y CB 0.902 39.239 38.460 -0.204 0.000 1.201 147 Y HN 0.920 nan 8.280 nan 0.000 0.458 148 K N 3.091 123.405 120.400 -0.142 0.000 2.453 148 K HA 0.387 4.707 4.320 -0.000 0.000 0.280 148 K C 0.920 177.647 176.600 0.212 0.000 1.045 148 K CA 0.357 56.647 56.287 0.005 0.000 1.059 148 K CB -0.936 31.493 32.500 -0.119 0.000 0.901 148 K HN 1.623 nan 8.250 nan 0.000 0.475 149 G N 1.937 110.838 108.800 0.169 0.000 2.176 149 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.252 149 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.252 149 G C -0.053 174.913 174.900 0.109 0.000 1.024 149 G CA 0.439 45.622 45.100 0.137 0.000 0.755 149 G HN 1.064 nan 8.290 nan 0.000 0.507 150 H N -0.205 118.956 119.070 0.152 0.000 2.771 150 H HA 0.298 4.854 4.556 -0.000 0.000 0.361 150 H C -0.958 174.491 175.328 0.202 0.000 1.108 150 H CA -0.856 55.293 56.048 0.168 0.000 1.201 150 H CB 1.724 31.577 29.762 0.153 0.000 1.681 150 H HN 0.195 nan 8.280 nan 0.000 0.534 151 D N 1.218 121.769 120.400 0.251 0.000 2.383 151 D HA 0.061 4.701 4.640 -0.000 0.000 0.252 151 D C -0.098 176.344 176.300 0.236 0.000 1.166 151 D CA 0.369 54.495 54.000 0.210 0.000 0.879 151 D CB 0.775 41.677 40.800 0.170 0.000 1.164 151 D HN 0.205 nan 8.370 nan 0.000 0.462 152 S N 1.293 117.086 115.700 0.156 0.000 3.315 152 S HA 0.167 4.637 4.470 -0.000 0.000 0.195 152 S C 0.460 175.087 174.600 0.045 0.000 1.394 152 S CA -0.769 57.456 58.200 0.041 0.000 0.983 152 S CB -0.165 63.060 63.200 0.041 0.000 1.370 152 S HN 0.572 nan 8.310 nan 0.000 0.491 153 T N 0.327 114.929 114.554 0.080 0.000 2.795 153 T HA 0.178 4.528 4.350 -0.000 0.000 0.314 153 T C 0.601 175.325 174.700 0.040 0.000 1.069 153 T CA -0.321 61.825 62.100 0.077 0.000 1.071 153 T CB 0.255 69.222 68.868 0.165 0.000 0.988 153 T HN 0.151 nan 8.240 nan 0.000 0.543 154 L N 1.553 122.782 121.223 0.010 0.000 2.818 154 L HA 0.424 4.764 4.340 -0.000 0.000 0.243 154 L C 1.815 178.710 176.870 0.042 0.000 1.185 154 L CA 0.650 55.495 54.840 0.008 0.000 0.988 154 L CB -0.562 41.472 42.059 -0.041 0.000 1.292 154 L HN 1.260 nan 8.230 nan 0.000 0.519 155 G N 0.565 109.415 108.800 0.084 0.000 2.248 155 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.252 155 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.252 155 G C -0.474 174.411 174.900 -0.026 0.000 1.085 155 G CA -0.228 44.911 45.100 0.065 0.000 0.845 155 G HN 0.115 nan 8.290 nan 0.000 0.494 156 L N 0.767 121.952 121.223 -0.064 0.000 2.404 156 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 156 L C 1.482 178.294 176.870 -0.095 0.000 0.980 156 L CA 0.298 55.053 54.840 -0.141 0.000 0.836 156 L CB 1.550 43.474 42.059 -0.226 0.000 1.238 156 L HN 0.162 nan 8.230 nan 0.000 0.408 157 S N 2.567 118.216 115.700 -0.086 0.000 2.419 157 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 157 S C 1.804 176.368 174.600 -0.060 0.000 1.019 157 S CA 0.707 58.870 58.200 -0.062 0.000 0.982 157 S CB -0.278 62.888 63.200 -0.057 0.000 0.789 157 S HN 0.539 nan 8.310 nan 0.000 0.490 158 L N 2.990 124.163 121.223 -0.082 0.000 2.040 158 L HA -0.267 4.073 4.340 -0.000 0.000 0.228 158 L C 1.091 177.938 176.870 -0.038 0.000 1.092 158 L CA 2.145 56.944 54.840 -0.069 0.000 0.805 158 L CB -1.024 40.973 42.059 -0.103 0.000 0.905 158 L HN 0.517 nan 8.230 nan 0.000 0.443 159 N N -1.990 116.689 118.700 -0.035 0.000 2.238 159 N HA 0.038 4.778 4.740 -0.000 0.000 0.222 159 N C 1.068 176.593 175.510 0.026 0.000 1.133 159 N CA 0.139 53.189 53.050 0.000 0.000 0.854 159 N CB 0.224 38.714 38.487 0.005 0.000 1.041 159 N HN 0.225 nan 8.380 nan 0.000 0.510 160 E N 1.309 121.516 120.200 0.012 0.000 2.358 160 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 160 E C 1.821 178.435 176.600 0.023 0.000 1.010 160 E CA 0.609 57.023 56.400 0.024 0.000 0.856 160 E CB -0.534 29.159 29.700 -0.012 0.000 0.795 160 E HN 0.358 nan 8.360 nan 0.000 0.504 161 G N 1.262 110.070 108.800 0.014 0.000 2.628 161 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 161 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 161 G C 0.931 175.846 174.900 0.025 0.000 1.240 161 G CA 1.727 46.836 45.100 0.014 0.000 0.792 161 G HN 0.390 nan 8.290 nan 0.000 0.593 162 M N -0.012 119.608 119.600 0.033 0.000 2.530 162 M HA 0.570 5.050 4.480 -0.000 0.000 0.307 162 M C -3.175 173.158 176.300 0.055 0.000 1.161 162 M CA -3.063 52.260 55.300 0.037 0.000 0.903 162 M CB 1.634 34.253 32.600 0.031 0.000 1.711 162 M HN -0.071 nan 8.290 nan 0.000 0.451 163 P HA 0.244 nan 4.420 nan 0.000 0.275 163 P C -0.615 176.738 177.300 0.088 0.000 1.266 163 P CA -0.229 62.918 63.100 0.077 0.000 0.793 163 P CB 0.353 32.083 31.700 0.050 0.000 1.074 164 S N -0.282 115.492 115.700 0.124 0.000 2.548 164 S HA 0.280 4.750 4.470 -0.000 0.000 0.277 164 S C 1.722 176.364 174.600 0.070 0.000 1.315 164 S CA 0.078 58.341 58.200 0.104 0.000 1.050 164 S CB 0.622 63.904 63.200 0.137 0.000 0.918 164 S HN 0.617 nan 8.310 nan 0.000 0.497 165 E N 2.000 122.227 120.200 0.045 0.000 2.110 165 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 165 E C 1.065 177.672 176.600 0.012 0.000 0.988 165 E CA 1.454 57.870 56.400 0.026 0.000 0.804 165 E CB -0.047 29.663 29.700 0.016 0.000 0.745 165 E HN 0.527 nan 8.360 nan 0.000 0.458 166 S N -1.450 114.254 115.700 0.006 0.000 2.776 166 S HA 0.461 4.931 4.470 -0.000 0.000 0.292 166 S C -1.962 172.609 174.600 -0.049 0.000 1.187 166 S CA -0.506 57.678 58.200 -0.027 0.000 0.834 166 S CB 1.602 64.784 63.200 -0.029 0.000 1.199 166 S HN 0.256 nan 8.310 nan 0.000 0.514 167 D N 1.549 121.885 120.400 -0.106 0.000 2.225 167 D HA 0.383 5.023 4.640 -0.000 0.000 0.248 167 D C 0.406 176.668 176.300 -0.065 0.000 1.096 167 D CA -0.258 53.646 54.000 -0.159 0.000 0.863 167 D CB 0.838 41.475 40.800 -0.272 0.000 1.156 167 D HN 0.734 nan 8.370 nan 0.000 0.450 168 C N 1.218 120.513 119.300 -0.008 0.000 2.705 168 C HA 0.204 4.664 4.460 -0.000 0.000 0.382 168 C C 2.103 177.109 174.990 0.027 0.000 1.322 168 C CA -0.798 58.235 59.018 0.026 0.000 2.290 168 C CB 0.126 27.903 27.740 0.063 0.000 2.650 168 C HN 0.477 nan 8.230 nan 0.000 0.695 169 V N 2.545 122.477 119.914 0.029 0.000 2.427 169 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 169 V C 2.492 178.612 176.094 0.043 0.000 1.051 169 V CA 2.513 64.830 62.300 0.029 0.000 1.048 169 V CB -0.447 31.396 31.823 0.033 0.000 0.666 169 V HN 0.987 nan 8.190 nan 0.000 0.456 170 V N -2.932 117.036 119.914 0.089 0.000 2.667 170 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 170 V C 2.150 178.297 176.094 0.088 0.000 1.065 170 V CA 1.536 63.903 62.300 0.112 0.000 1.083 170 V CB -0.527 31.421 31.823 0.208 0.000 0.692 170 V HN 0.287 nan 8.190 nan 0.000 0.468 171 V N 0.234 120.209 119.914 0.102 0.000 2.548 171 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 171 V C 2.775 178.847 176.094 -0.037 0.000 1.055 171 V CA 2.082 64.409 62.300 0.046 0.000 1.065 171 V CB -0.528 31.339 31.823 0.073 0.000 0.681 171 V HN 0.566 nan 8.190 nan 0.000 0.462 172 Q N -0.623 119.151 119.800 -0.043 0.000 2.020 172 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 172 Q C 2.443 178.388 176.000 -0.091 0.000 0.982 172 Q CA 2.001 57.762 55.803 -0.070 0.000 0.838 172 Q CB -0.400 28.310 28.738 -0.047 0.000 0.899 172 Q HN 0.564 nan 8.270 nan 0.000 0.423 173 V N 0.507 120.379 119.914 -0.070 0.000 2.667 173 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 173 V C 1.878 177.902 176.094 -0.117 0.000 1.065 173 V CA 1.102 63.335 62.300 -0.111 0.000 1.083 173 V CB -0.259 31.524 31.823 -0.066 0.000 0.692 173 V HN 0.318 nan 8.190 nan 0.000 0.468 174 L N -0.281 120.899 121.223 -0.073 0.000 2.017 174 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 174 L C 2.761 179.578 176.870 -0.088 0.000 1.073 174 L CA 2.204 57.002 54.840 -0.070 0.000 0.745 174 L CB -0.580 41.453 42.059 -0.044 0.000 0.894 174 L HN 0.278 nan 8.230 nan 0.000 0.432 175 K N 0.212 120.557 120.400 -0.092 0.000 2.002 175 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 175 K C 1.982 178.512 176.600 -0.117 0.000 1.048 175 K CA 1.316 57.544 56.287 -0.098 0.000 0.930 175 K CB -0.303 32.139 32.500 -0.096 0.000 0.714 175 K HN 0.190 nan 8.250 nan 0.000 0.438 176 L N 0.630 121.750 121.223 -0.171 0.000 2.450 176 L HA -0.160 4.180 4.340 -0.000 0.000 0.224 176 L C 1.865 178.612 176.870 -0.206 0.000 1.149 176 L CA 0.765 55.462 54.840 -0.239 0.000 0.816 176 L CB -0.160 41.610 42.059 -0.482 0.000 0.932 176 L HN 0.152 nan 8.230 nan 0.000 0.449 177 Q N -0.450 119.258 119.800 -0.153 0.000 2.204 177 Q HA 0.213 4.553 4.340 -0.000 0.000 0.209 177 Q C 1.124 177.102 176.000 -0.037 0.000 0.861 177 Q CA 0.606 56.358 55.803 -0.085 0.000 0.971 177 Q CB 0.566 29.253 28.738 -0.086 0.000 1.095 177 Q HN 0.345 nan 8.270 nan 0.000 0.486 178 G N -0.942 107.835 108.800 -0.040 0.000 2.376 178 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.208 178 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.208 178 G C 0.377 175.199 174.900 -0.129 0.000 1.032 178 G CA -0.243 44.840 45.100 -0.028 0.000 0.641 178 G HN 0.632 nan 8.290 nan 0.000 0.503 179 A N -0.020 122.733 122.820 -0.112 0.000 2.429 179 A HA 0.580 4.900 4.320 -0.000 0.000 0.242 179 A C 0.553 178.056 177.584 -0.134 0.000 1.088 179 A CA 0.910 52.872 52.037 -0.125 0.000 0.784 179 A CB 0.630 19.579 19.000 -0.084 0.000 1.038 179 A HN 1.314 nan 8.150 nan 0.000 0.501 180 V N 2.188 122.023 119.914 -0.132 0.000 2.250 180 V HA 0.274 4.394 4.120 -0.000 0.000 0.268 180 V C -2.622 173.490 176.094 0.031 0.000 1.043 180 V CA -1.501 60.716 62.300 -0.138 0.000 0.814 180 V CB 0.653 32.275 31.823 -0.334 0.000 1.072 180 V HN 0.683 nan 8.190 nan 0.000 0.451 181 P HA 0.180 nan 4.420 nan 0.000 0.270 181 P C 0.072 177.341 177.300 -0.052 0.000 1.242 181 P CA 0.066 63.190 63.100 0.039 0.000 0.768 181 P CB 0.234 31.972 31.700 0.063 0.000 0.820 182 F N 3.435 123.266 119.950 -0.198 0.000 2.778 182 F HA 0.338 4.865 4.527 -0.000 0.000 0.314 182 F C -0.257 175.433 175.800 -0.184 0.000 1.073 182 F CA -0.412 57.505 58.000 -0.138 0.000 1.218 182 F CB 0.085 39.201 39.000 0.193 0.000 1.037 182 F HN 0.055 nan 8.300 nan 0.000 0.594 183 V N -1.007 118.395 119.914 -0.854 0.000 2.760 183 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 183 V C -1.003 174.810 176.094 -0.468 0.000 1.077 183 V CA -0.950 60.960 62.300 -0.649 0.000 0.910 183 V CB 0.936 32.330 31.823 -0.716 0.000 1.008 183 V HN 0.287 nan 8.190 nan 0.000 0.424 184 H N 2.557 121.397 119.070 -0.383 0.000 2.722 184 H HA 0.555 5.111 4.556 -0.000 0.000 0.328 184 H C 0.468 175.636 175.328 -0.268 0.000 1.067 184 H CA 0.334 56.214 56.048 -0.281 0.000 1.447 184 H CB 1.374 31.008 29.762 -0.212 0.000 1.469 184 H HN 1.001 nan 8.280 nan 0.000 0.544 185 T N 1.194 115.692 114.554 -0.093 0.000 2.824 185 T HA 0.129 4.479 4.350 -0.000 0.000 0.280 185 T C 0.150 174.784 174.700 -0.110 0.000 0.995 185 T CA -1.259 60.766 62.100 -0.125 0.000 1.009 185 T CB 1.278 70.075 68.868 -0.119 0.000 0.955 185 T HN 0.590 nan 8.240 nan 0.000 0.452 186 N N 2.124 120.755 118.700 -0.114 0.000 2.458 186 N HA 0.293 5.033 4.740 -0.000 0.000 0.258 186 N C -0.048 175.455 175.510 -0.012 0.000 1.219 186 N CA -0.366 52.630 53.050 -0.090 0.000 0.902 186 N CB 0.573 39.023 38.487 -0.063 0.000 1.076 186 N HN 0.750 nan 8.380 nan 0.000 0.455 187 V N 1.014 120.940 119.914 0.020 0.000 2.881 187 V HA 0.760 4.880 4.120 -0.000 0.000 0.316 187 V C -2.312 173.830 176.094 0.081 0.000 1.070 187 V CA -2.263 60.068 62.300 0.052 0.000 0.976 187 V CB 1.425 33.276 31.823 0.047 0.000 1.038 187 V HN 0.692 nan 8.190 nan 0.000 0.446 188 P HA 0.087 nan 4.420 nan 0.000 0.272 188 P C 0.469 177.838 177.300 0.115 0.000 1.230 188 P CA 0.058 63.217 63.100 0.098 0.000 0.788 188 P CB 1.008 32.767 31.700 0.097 0.000 0.949 189 Q N 1.209 121.090 119.800 0.135 0.000 1.998 189 Q HA -0.192 4.148 4.340 -0.000 0.000 0.209 189 Q C 1.789 177.847 176.000 0.097 0.000 1.002 189 Q CA 2.361 58.245 55.803 0.134 0.000 0.858 189 Q CB -0.477 28.385 28.738 0.205 0.000 0.932 189 Q HN 0.374 nan 8.270 nan 0.000 0.416 190 S N -1.036 114.790 115.700 0.210 0.000 2.593 190 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 190 S C 0.588 175.289 174.600 0.168 0.000 0.966 190 S CA 0.382 58.674 58.200 0.154 0.000 0.914 190 S CB 0.014 63.412 63.200 0.331 0.000 0.776 190 S HN 0.485 nan 8.310 nan 0.000 0.523 191 M N -0.814 118.876 119.600 0.150 0.000 2.835 191 M HA -0.227 4.253 4.480 -0.000 0.000 0.177 191 M C -0.048 176.359 176.300 0.178 0.000 0.640 191 M CA 0.463 55.848 55.300 0.141 0.000 0.635 191 M CB -1.356 31.299 32.600 0.092 0.000 2.307 191 M HN 0.215 nan 8.290 nan 0.000 0.400 192 L N 0.450 121.833 121.223 0.267 0.000 3.064 192 L HA 0.472 4.812 4.340 -0.000 0.000 0.233 192 L C 0.284 177.283 176.870 0.216 0.000 1.333 192 L CA 0.409 55.392 54.840 0.238 0.000 1.140 192 L CB 0.643 42.868 42.059 0.276 0.000 1.519 192 L HN 0.217 nan 8.230 nan 0.000 0.493 193 S N -0.729 115.079 115.700 0.180 0.000 2.595 193 S HA 0.469 4.938 4.470 -0.000 0.000 0.281 193 S C 0.108 174.809 174.600 0.168 0.000 1.117 193 S CA -0.660 57.625 58.200 0.141 0.000 0.873 193 S CB 0.968 64.215 63.200 0.078 0.000 1.108 193 S HN 0.284 nan 8.310 nan 0.000 0.477 194 F N 0.802 120.666 119.950 -0.142 0.000 2.647 194 F HA 0.551 5.078 4.527 -0.000 0.000 0.300 194 F C 0.295 175.976 175.800 -0.198 0.000 1.106 194 F CA -0.703 57.135 58.000 -0.271 0.000 1.313 194 F CB 0.124 38.655 39.000 -0.783 0.000 1.007 194 F HN 0.364 nan 8.300 nan 0.000 0.536 195 D N 0.615 120.847 120.400 -0.280 0.000 2.478 195 D HA 0.286 4.926 4.640 -0.000 0.000 0.263 195 D C -0.900 175.384 176.300 -0.027 0.000 1.153 195 D CA -0.404 53.496 54.000 -0.167 0.000 1.038 195 D CB 2.221 42.913 40.800 -0.180 0.000 1.120 195 D HN 0.243 nan 8.370 nan 0.000 0.564 196 C N 1.175 120.477 119.300 0.003 0.000 2.442 196 C HA 0.701 5.161 4.460 -0.000 0.000 0.335 196 C C -1.013 173.998 174.990 0.035 0.000 1.134 196 C CA -0.154 58.885 59.018 0.036 0.000 1.344 196 C CB -0.700 27.069 27.740 0.049 0.000 1.956 196 C HN 0.445 nan 8.230 nan 0.000 0.438 197 S N 4.879 120.609 115.700 0.049 0.000 2.608 197 S HA 0.584 5.054 4.470 -0.000 0.000 0.285 197 S C -1.988 172.657 174.600 0.076 0.000 1.108 197 S CA -0.530 57.702 58.200 0.053 0.000 0.858 197 S CB 1.136 64.353 63.200 0.029 0.000 1.077 197 S HN 1.121 nan 8.310 nan 0.000 0.450 198 N N 3.188 121.938 118.700 0.083 0.000 2.598 198 N HA 0.411 5.151 4.740 -0.000 0.000 0.263 198 N C -2.862 172.684 175.510 0.059 0.000 1.254 198 N CA -1.440 51.667 53.050 0.095 0.000 0.863 198 N CB 1.904 40.471 38.487 0.133 0.000 1.586 198 N HN 0.315 nan 8.380 nan 0.000 0.491 199 P HA 0.079 nan 4.420 nan 0.000 0.226 199 P C 1.286 178.549 177.300 -0.062 0.000 1.153 199 P CA 0.400 63.507 63.100 0.011 0.000 0.777 199 P CB 0.389 32.151 31.700 0.103 0.000 0.794 200 L N -2.987 118.162 121.223 -0.124 0.000 2.249 200 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 200 L C 1.364 177.829 176.870 -0.675 0.000 1.090 200 L CA 1.658 56.248 54.840 -0.417 0.000 0.802 200 L CB -0.498 41.242 42.059 -0.532 0.000 0.947 200 L HN -0.078 nan 8.230 nan 0.000 0.453 201 F N -1.641 118.319 119.950 0.016 0.000 2.915 201 F HA 0.503 5.030 4.527 -0.000 0.000 0.347 201 F C 1.206 177.006 175.800 0.000 0.000 1.104 201 F CA 0.086 58.091 58.000 0.009 0.000 1.126 201 F CB 0.341 39.349 39.000 0.013 0.000 1.145 201 F HN 0.002 nan 8.300 nan 0.000 0.541 202 G N 1.375 110.248 108.800 0.122 0.000 2.796 202 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.571 202 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.571 202 G C -0.678 174.264 174.900 0.070 0.000 1.370 202 G CA -0.901 44.240 45.100 0.068 0.000 0.856 202 G HN 0.224 nan 8.290 nan 0.000 0.538 203 Q N -0.489 119.334 119.800 0.038 0.000 2.392 203 Q HA 0.521 4.861 4.340 -0.000 0.000 0.262 203 Q C 0.376 176.393 176.000 0.029 0.000 1.003 203 Q CA 0.609 56.429 55.803 0.029 0.000 0.888 203 Q CB 0.445 29.190 28.738 0.011 0.000 1.260 203 Q HN 0.623 nan 8.270 nan 0.000 0.435 204 T N 3.989 118.561 114.554 0.030 0.000 2.767 204 T HA 0.422 4.772 4.350 -0.000 0.000 0.288 204 T C -0.409 174.307 174.700 0.027 0.000 0.963 204 T CA -0.420 61.695 62.100 0.025 0.000 1.019 204 T CB 0.567 69.453 68.868 0.031 0.000 0.923 204 T HN 0.500 nan 8.240 nan 0.000 0.468 205 M N 3.361 122.974 119.600 0.022 0.000 2.314 205 M HA 0.298 4.778 4.480 -0.000 0.000 0.342 205 M C 0.738 177.069 176.300 0.052 0.000 1.171 205 M CA -0.646 54.670 55.300 0.027 0.000 1.098 205 M CB 0.783 33.390 32.600 0.011 0.000 1.559 205 M HN 0.416 nan 8.290 nan 0.000 0.459 206 N N 3.761 122.503 118.700 0.070 0.000 2.412 206 N HA 0.030 4.769 4.740 -0.000 0.000 0.258 206 N C -1.810 173.772 175.510 0.120 0.000 1.236 206 N CA -0.928 52.193 53.050 0.118 0.000 0.882 206 N CB 0.910 39.467 38.487 0.116 0.000 1.066 206 N HN 0.386 nan 8.380 nan 0.000 0.465 207 P HA -0.112 nan 4.420 nan 0.000 0.216 207 P C 0.947 178.273 177.300 0.042 0.000 1.150 207 P CA 1.424 64.570 63.100 0.077 0.000 0.837 207 P CB -0.024 31.727 31.700 0.084 0.000 0.786 208 W N 0.745 122.050 121.300 0.008 0.000 2.518 208 W HA 0.139 4.799 4.660 -0.000 0.000 0.273 208 W C 1.136 177.649 176.519 -0.011 0.000 1.247 208 W CA 0.702 58.047 57.345 0.000 0.000 1.288 208 W CB 0.042 29.503 29.460 0.001 0.000 1.107 208 W HN -0.077 nan 8.180 nan 0.000 0.586 209 K N -0.928 119.584 120.400 0.187 0.000 2.592 209 K HA 0.131 4.451 4.320 -0.000 0.000 0.265 209 K C 0.422 177.054 176.600 0.054 0.000 1.006 209 K CA -0.151 56.191 56.287 0.091 0.000 0.907 209 K CB 1.216 33.763 32.500 0.078 0.000 1.309 209 K HN -0.371 nan 8.250 nan 0.000 0.452 210 S N 0.512 116.228 115.700 0.027 0.000 2.399 210 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 210 S C 1.364 175.966 174.600 0.005 0.000 1.022 210 S CA 1.881 60.089 58.200 0.014 0.000 0.983 210 S CB -0.077 63.123 63.200 0.001 0.000 0.803 210 S HN 0.747 nan 8.310 nan 0.000 0.480 211 S N 0.331 116.030 115.700 -0.002 0.000 2.607 211 S HA 0.158 4.628 4.470 -0.000 0.000 0.224 211 S C 0.424 175.007 174.600 -0.027 0.000 0.969 211 S CA 0.047 58.238 58.200 -0.015 0.000 0.927 211 S CB 0.040 63.229 63.200 -0.018 0.000 0.772 211 S HN 0.130 nan 8.310 nan 0.000 0.533 212 K N 1.117 121.504 120.400 -0.022 0.000 2.258 212 K HA 0.551 4.871 4.320 -0.000 0.000 0.236 212 K C -0.434 176.155 176.600 -0.020 0.000 1.008 212 K CA -0.677 55.581 56.287 -0.047 0.000 0.869 212 K CB 1.302 33.762 32.500 -0.067 0.000 1.171 212 K HN 0.052 nan 8.250 nan 0.000 0.447 213 S N 1.689 117.371 115.700 -0.030 0.000 2.554 213 S HA 0.254 4.723 4.470 -0.000 0.000 0.278 213 S C -1.614 173.086 174.600 0.166 0.000 1.242 213 S CA -1.760 56.469 58.200 0.049 0.000 1.051 213 S CB 0.641 63.865 63.200 0.039 0.000 0.986 213 S HN 0.288 nan 8.310 nan 0.000 0.502 214 P HA 0.139 nan 4.420 nan 0.000 0.230 214 P C 0.684 178.174 177.300 0.316 0.000 1.158 214 P CA 0.798 64.032 63.100 0.222 0.000 0.769 214 P CB -0.470 31.313 31.700 0.139 0.000 0.807 215 G N -1.187 107.824 108.800 0.352 0.000 2.712 215 G HA2 0.294 4.254 3.960 -0.000 0.000 0.683 215 G HA3 0.294 4.254 3.960 -0.000 0.000 0.683 215 G C -0.489 174.466 174.900 0.092 0.000 1.320 215 G CA -0.680 44.495 45.100 0.126 0.000 0.847 215 G HN 0.550 nan 8.290 nan 0.000 0.553 216 G N -2.054 106.809 108.800 0.105 0.000 2.601 216 G HA2 0.751 4.711 3.960 -0.000 0.000 0.291 216 G HA3 0.751 4.711 3.960 -0.000 0.000 0.291 216 G C 0.411 175.438 174.900 0.211 0.000 1.456 216 G CA 0.764 45.941 45.100 0.128 0.000 0.804 216 G HN 2.120 nan 8.290 nan 0.000 0.499 217 S N -1.350 114.452 115.700 0.170 0.000 2.568 217 S HA 0.206 4.676 4.470 -0.000 0.000 0.232 217 S C 0.820 175.480 174.600 0.100 0.000 0.975 217 S CA 0.362 58.636 58.200 0.124 0.000 0.949 217 S CB 0.331 63.605 63.200 0.123 0.000 0.829 217 S HN 0.552 nan 8.310 nan 0.000 0.479 218 S N 1.606 117.365 115.700 0.098 0.000 2.945 218 S HA 0.386 4.856 4.470 -0.000 0.000 0.227 218 S C 1.459 176.096 174.600 0.063 0.000 1.353 218 S CA -0.246 57.999 58.200 0.074 0.000 1.236 218 S CB 0.180 63.421 63.200 0.069 0.000 1.069 218 S HN 0.636 nan 8.310 nan 0.000 0.509 219 G N 1.923 110.763 108.800 0.066 0.000 2.422 219 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.218 219 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.218 219 G C 1.289 176.218 174.900 0.049 0.000 1.140 219 G CA 0.529 45.670 45.100 0.069 0.000 0.775 219 G HN 0.605 nan 8.290 nan 0.000 0.545 220 G N 0.621 109.434 108.800 0.022 0.000 2.404 220 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 220 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 220 G C 1.625 176.519 174.900 -0.010 0.000 1.174 220 G CA 1.014 46.110 45.100 -0.006 0.000 0.780 220 G HN 0.306 nan 8.290 nan 0.000 0.537 221 E N 0.721 120.914 120.200 -0.013 0.000 2.049 221 E HA -0.117 4.232 4.350 -0.000 0.000 0.198 221 E C 2.764 179.375 176.600 0.018 0.000 1.007 221 E CA 1.318 57.707 56.400 -0.018 0.000 0.809 221 E CB -0.986 28.701 29.700 -0.022 0.000 0.749 221 E HN 0.347 nan 8.360 nan 0.000 0.450 222 G N 0.548 109.376 108.800 0.047 0.000 2.408 222 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 222 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 222 G C 1.625 176.586 174.900 0.102 0.000 1.150 222 G CA 1.032 46.178 45.100 0.078 0.000 0.776 222 G HN 0.388 nan 8.290 nan 0.000 0.542 223 A N -0.337 122.538 122.820 0.091 0.000 2.123 223 A HA 0.355 4.675 4.320 -0.000 0.000 0.214 223 A C 2.141 179.770 177.584 0.075 0.000 1.152 223 A CA 0.983 53.079 52.037 0.098 0.000 0.728 223 A CB -0.099 18.948 19.000 0.079 0.000 0.814 223 A HN 0.372 nan 8.150 nan 0.000 0.464 224 L N -0.865 120.391 121.223 0.054 0.000 2.298 224 L HA 0.261 4.601 4.340 -0.000 0.000 0.209 224 L C 1.883 178.800 176.870 0.080 0.000 1.084 224 L CA 1.202 56.074 54.840 0.054 0.000 0.816 224 L CB -0.196 41.872 42.059 0.016 0.000 0.967 224 L HN 0.358 nan 8.230 nan 0.000 0.460 225 I N -0.341 120.271 120.570 0.071 0.000 2.400 225 I HA 0.060 4.230 4.170 -0.000 0.000 0.248 225 I C 1.461 177.646 176.117 0.113 0.000 1.109 225 I CA 0.525 61.873 61.300 0.080 0.000 1.425 225 I CB -0.965 37.065 38.000 0.050 0.000 1.094 225 I HN 0.261 nan 8.210 nan 0.000 0.425 226 G N 0.545 109.427 108.800 0.138 0.000 2.491 226 G HA2 0.196 4.156 3.960 -0.000 0.000 0.238 226 G HA3 0.196 4.156 3.960 -0.000 0.000 0.238 226 G C 0.891 175.868 174.900 0.128 0.000 1.277 226 G CA 0.410 45.625 45.100 0.192 0.000 0.851 226 G HN 0.577 nan 8.290 nan 0.000 0.573 227 S N -0.256 115.490 115.700 0.078 0.000 3.402 227 S HA -0.156 4.314 4.470 -0.000 0.000 0.329 227 S C 2.045 176.675 174.600 0.050 0.000 1.194 227 S CA 1.353 59.555 58.200 0.002 0.000 0.951 227 S CB -1.628 61.556 63.200 -0.027 0.000 0.975 227 S HN 3.009 nan 8.310 nan 0.000 0.574 228 G N 0.193 109.051 108.800 0.096 0.000 2.220 228 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.269 228 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.269 228 G C 1.555 176.598 174.900 0.239 0.000 0.977 228 G CA 0.945 46.134 45.100 0.148 0.000 0.634 228 G HN 2.013 nan 8.290 nan 0.000 0.539 229 G N -0.440 108.476 108.800 0.193 0.000 2.653 229 G HA2 0.317 4.277 3.960 -0.000 0.000 0.212 229 G HA3 0.317 4.277 3.960 -0.000 0.000 0.212 229 G C 0.553 175.673 174.900 0.366 0.000 1.138 229 G CA 1.873 47.125 45.100 0.253 0.000 0.782 229 G HN 1.734 nan 8.290 nan 0.000 0.535 230 S N -1.147 114.701 115.700 0.247 0.000 2.535 230 S HA 0.515 4.985 4.470 -0.000 0.000 0.272 230 S C -2.260 172.237 174.600 -0.172 0.000 1.149 230 S CA -0.817 57.391 58.200 0.014 0.000 0.888 230 S CB 2.242 65.566 63.200 0.206 0.000 1.110 230 S HN -0.119 nan 8.310 nan 0.000 0.463 231 P HA 0.207 nan 4.420 nan 0.000 0.221 231 P C 0.069 177.295 177.300 -0.124 0.000 1.155 231 P CA 0.459 63.391 63.100 -0.280 0.000 0.812 231 P CB -0.004 31.447 31.700 -0.416 0.000 0.801 232 L N -1.943 119.207 121.223 -0.122 0.000 2.506 232 L HA 0.847 5.187 4.340 -0.000 0.000 0.257 232 L C -1.143 175.685 176.870 -0.069 0.000 0.964 232 L CA -0.571 54.224 54.840 -0.076 0.000 0.836 232 L CB 1.980 43.992 42.059 -0.080 0.000 1.384 232 L HN 0.017 nan 8.230 nan 0.000 0.410 233 G N 2.494 111.249 108.800 -0.076 0.000 2.682 233 G HA2 0.662 4.622 3.960 -0.000 0.000 0.290 233 G HA3 0.662 4.622 3.960 -0.000 0.000 0.290 233 G C -2.355 172.458 174.900 -0.145 0.000 1.425 233 G CA -0.784 44.244 45.100 -0.120 0.000 0.807 233 G HN 0.553 nan 8.290 nan 0.000 0.482 234 L N 0.647 121.711 121.223 -0.264 0.000 2.333 234 L HA 0.764 5.103 4.340 -0.000 0.000 0.280 234 L C 0.835 177.523 176.870 -0.304 0.000 1.004 234 L CA -0.093 54.557 54.840 -0.318 0.000 0.820 234 L CB 1.593 43.309 42.059 -0.572 0.000 1.247 234 L HN 0.841 nan 8.230 nan 0.000 0.416 235 G N 0.444 109.244 108.800 -0.001 0.000 2.932 235 G HA2 0.747 4.707 3.960 -0.000 0.000 0.283 235 G HA3 0.747 4.707 3.960 -0.000 0.000 0.283 235 G C -0.767 174.348 174.900 0.359 0.000 1.336 235 G CA -0.207 45.002 45.100 0.181 0.000 1.056 235 G HN 0.537 nan 8.290 nan 0.000 0.522 236 T N -2.285 112.425 114.554 0.260 0.000 2.942 236 T HA 0.635 4.985 4.350 -0.000 0.000 0.289 236 T C -1.495 173.253 174.700 0.081 0.000 1.044 236 T CA -0.714 61.469 62.100 0.139 0.000 1.023 236 T CB 2.452 71.360 68.868 0.067 0.000 1.123 236 T HN 0.401 nan 8.240 nan 0.000 0.512 237 D N 0.949 121.374 120.400 0.043 0.000 2.319 237 D HA 0.252 4.892 4.640 -0.000 0.000 0.237 237 D C -0.100 176.198 176.300 -0.004 0.000 1.353 237 D CA -0.500 53.510 54.000 0.016 0.000 0.992 237 D CB 1.266 42.064 40.800 -0.004 0.000 1.368 237 D HN 0.593 nan 8.370 nan 0.000 0.564 238 I N 1.696 122.262 120.570 -0.007 0.000 3.603 238 I HA 0.251 4.421 4.170 -0.000 0.000 0.297 238 I C 1.403 177.487 176.117 -0.055 0.000 1.269 238 I CA 0.580 61.860 61.300 -0.033 0.000 1.361 238 I CB 0.611 38.589 38.000 -0.036 0.000 1.063 238 I HN 0.486 nan 8.210 nan 0.000 0.448 239 G N -1.126 107.651 108.800 -0.038 0.000 3.193 239 G HA2 0.309 4.269 3.960 -0.000 0.000 0.183 239 G HA3 0.309 4.269 3.960 -0.000 0.000 0.183 239 G C 0.801 175.664 174.900 -0.063 0.000 1.254 239 G CA 0.528 45.598 45.100 -0.050 0.000 0.898 239 G HN 0.334 nan 8.290 nan 0.000 0.816 240 G N -0.024 108.722 108.800 -0.090 0.000 3.290 240 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 240 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 240 G C 0.951 175.747 174.900 -0.173 0.000 0.940 240 G CA 0.761 45.656 45.100 -0.342 0.000 0.884 240 G HN 0.235 nan 8.290 nan 0.000 0.649 241 S N -0.115 115.605 115.700 0.033 0.000 2.489 241 S HA 0.201 4.671 4.470 -0.000 0.000 0.228 241 S C 2.181 176.825 174.600 0.073 0.000 0.995 241 S CA 0.885 59.161 58.200 0.127 0.000 0.934 241 S CB -0.027 63.243 63.200 0.117 0.000 0.771 241 S HN 0.454 nan 8.310 nan 0.000 0.522 242 I N 0.610 121.187 120.570 0.012 0.000 2.400 242 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 242 I C 2.529 178.620 176.117 -0.042 0.000 1.109 242 I CA 0.889 62.191 61.300 0.004 0.000 1.425 242 I CB 0.011 38.015 38.000 0.006 0.000 1.094 242 I HN 0.108 nan 8.210 nan 0.000 0.425 243 R N -0.316 120.100 120.500 -0.139 0.000 2.062 243 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 243 R C 2.249 178.397 176.300 -0.252 0.000 1.125 243 R CA 1.264 57.232 56.100 -0.221 0.000 0.966 243 R CB -0.368 29.741 30.300 -0.319 0.000 0.861 243 R HN 0.091 nan 8.270 nan 0.000 0.433 244 F N 0.938 120.762 119.950 -0.210 0.000 2.032 244 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 244 F C -0.624 174.954 175.800 -0.369 0.000 1.125 244 F CA 1.620 59.353 58.000 -0.445 0.000 1.202 244 F CB -1.882 36.852 39.000 -0.443 0.000 0.958 244 F HN 0.061 nan 8.300 nan 0.000 0.491 245 P HA -0.105 nan 4.420 nan 0.000 0.217 245 P C 1.824 179.176 177.300 0.088 0.000 1.150 245 P CA 2.020 65.170 63.100 0.082 0.000 0.832 245 P CB -0.122 31.626 31.700 0.081 0.000 0.787 246 S N -0.393 115.331 115.700 0.040 0.000 2.359 246 S HA -0.154 4.316 4.470 -0.000 0.000 0.224 246 S C 2.064 176.692 174.600 0.046 0.000 1.035 246 S CA 1.591 59.811 58.200 0.033 0.000 1.018 246 S CB -1.029 62.169 63.200 -0.003 0.000 0.876 246 S HN 0.165 nan 8.310 nan 0.000 0.448 247 A N 0.779 123.626 122.820 0.046 0.000 1.872 247 A HA 0.062 4.381 4.320 -0.000 0.000 0.214 247 A C 1.785 179.511 177.584 0.237 0.000 1.187 247 A CA 1.071 53.168 52.037 0.100 0.000 0.614 247 A CB -0.695 18.364 19.000 0.098 0.000 0.826 247 A HN 0.454 nan 8.150 nan 0.000 0.442 248 F N -0.186 119.792 119.950 0.047 0.000 2.325 248 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 248 F C 1.870 177.644 175.800 -0.043 0.000 1.090 248 F CA -0.148 57.866 58.000 0.023 0.000 1.392 248 F CB -0.837 38.219 39.000 0.094 0.000 1.053 248 F HN 0.225 nan 8.300 nan 0.000 0.521 249 C N -0.274 119.135 119.300 0.181 0.000 2.688 249 C HA 0.509 4.969 4.460 -0.000 0.000 0.297 249 C C 1.627 176.634 174.990 0.028 0.000 1.308 249 C CA -0.347 58.745 59.018 0.123 0.000 1.726 249 C CB -1.177 26.690 27.740 0.213 0.000 1.982 249 C HN 0.614 nan 8.230 nan 0.000 0.604 250 G N 2.623 111.364 108.800 -0.099 0.000 2.396 250 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.288 250 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.288 250 G C -0.118 174.796 174.900 0.023 0.000 0.926 250 G CA 1.196 46.228 45.100 -0.113 0.000 1.211 250 G HN 0.828 nan 8.290 nan 0.000 0.496 251 I N -3.492 117.107 120.570 0.049 0.000 3.617 251 I HA 0.862 5.032 4.170 -0.000 0.000 0.283 251 I C 0.524 176.657 176.117 0.026 0.000 1.160 251 I CA -1.607 59.729 61.300 0.060 0.000 1.084 251 I CB 1.268 39.319 38.000 0.085 0.000 1.365 251 I HN 0.056 nan 8.210 nan 0.000 0.494 252 C N 0.424 119.738 119.300 0.024 0.000 2.399 252 C HA 0.980 5.440 4.460 -0.000 0.000 0.348 252 C C 0.391 175.383 174.990 0.003 0.000 1.183 252 C CA -0.052 58.969 59.018 0.005 0.000 2.023 252 C CB 0.442 28.186 27.740 0.006 0.000 2.361 252 C HN 1.064 nan 8.230 nan 0.000 0.521 253 G N 0.500 109.295 108.800 -0.009 0.000 2.579 253 G HA2 0.590 4.550 3.960 -0.000 0.000 0.292 253 G HA3 0.590 4.550 3.960 -0.000 0.000 0.292 253 G C -2.187 172.705 174.900 -0.014 0.000 1.484 253 G CA -0.421 44.674 45.100 -0.009 0.000 0.813 253 G HN 0.871 nan 8.290 nan 0.000 0.515 254 L N -0.080 121.141 121.223 -0.004 0.000 2.408 254 L HA 0.816 5.156 4.340 -0.000 0.000 0.268 254 L C -0.428 176.446 176.870 0.006 0.000 0.986 254 L CA -0.850 53.989 54.840 -0.001 0.000 0.820 254 L CB 2.134 44.199 42.059 0.010 0.000 1.303 254 L HN 0.484 nan 8.230 nan 0.000 0.411 255 K N 6.088 126.486 120.400 -0.003 0.000 2.268 255 K HA 0.514 4.834 4.320 -0.000 0.000 0.276 255 K C -2.540 174.062 176.600 0.003 0.000 1.080 255 K CA -1.744 54.545 56.287 0.003 0.000 0.910 255 K CB 1.038 33.533 32.500 -0.010 0.000 1.163 255 K HN 0.438 nan 8.250 nan 0.000 0.465 256 P HA 0.043 nan 4.420 nan 0.000 0.274 256 P C -0.762 176.500 177.300 -0.064 0.000 1.260 256 P CA -0.321 62.775 63.100 -0.008 0.000 0.793 256 P CB 0.417 32.136 31.700 0.031 0.000 1.048 257 T N 0.723 115.183 114.554 -0.156 0.000 2.908 257 T HA 0.074 4.424 4.350 -0.000 0.000 0.301 257 T C 1.894 176.434 174.700 -0.267 0.000 1.019 257 T CA 0.713 62.607 62.100 -0.344 0.000 1.152 257 T CB 0.126 68.524 68.868 -0.783 0.000 0.966 257 T HN 0.578 nan 8.240 nan 0.000 0.540 258 G N 2.287 110.953 108.800 -0.224 0.000 2.505 258 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 258 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 258 G C 1.182 176.064 174.900 -0.029 0.000 1.145 258 G CA 0.571 45.614 45.100 -0.096 0.000 0.761 258 G HN 0.791 nan 8.290 nan 0.000 0.571 259 N N -0.478 118.205 118.700 -0.028 0.000 2.314 259 N HA 0.049 4.789 4.740 -0.000 0.000 0.200 259 N C 2.038 177.743 175.510 0.325 0.000 1.135 259 N CA -0.309 52.847 53.050 0.176 0.000 0.835 259 N CB 0.107 38.784 38.487 0.317 0.000 0.989 259 N HN 0.080 nan 8.380 nan 0.000 0.478 260 R N 0.375 121.022 120.500 0.246 0.000 2.062 260 R HA 0.131 4.471 4.340 -0.000 0.000 0.229 260 R C 0.611 177.079 176.300 0.279 0.000 1.128 260 R CA 1.270 57.577 56.100 0.346 0.000 0.960 260 R CB -0.113 30.341 30.300 0.257 0.000 0.855 260 R HN 0.123 nan 8.270 nan 0.000 0.432 261 L N -1.025 120.315 121.223 0.195 0.000 2.347 261 L HA 0.430 4.770 4.340 -0.000 0.000 0.268 261 L C 0.201 177.155 176.870 0.140 0.000 1.019 261 L CA -1.017 53.927 54.840 0.173 0.000 0.806 261 L CB 1.363 43.508 42.059 0.144 0.000 1.339 261 L HN 0.000 nan 8.230 nan 0.000 0.463 262 S N -0.730 115.041 115.700 0.117 0.000 2.525 262 S HA 0.308 4.778 4.470 -0.000 0.000 0.290 262 S C 0.118 174.742 174.600 0.039 0.000 1.152 262 S CA -0.588 57.664 58.200 0.088 0.000 1.072 262 S CB 1.074 64.326 63.200 0.088 0.000 1.027 262 S HN 0.617 nan 8.310 nan 0.000 0.500 263 K N 2.491 122.904 120.400 0.022 0.000 2.399 263 K HA 0.181 4.500 4.320 -0.000 0.000 0.204 263 K C 1.592 178.178 176.600 -0.024 0.000 1.023 263 K CA -0.117 56.159 56.287 -0.018 0.000 1.127 263 K CB 0.224 32.726 32.500 0.003 0.000 0.856 263 K HN 0.517 nan 8.250 nan 0.000 0.514 264 S N 0.530 116.225 115.700 -0.009 0.000 2.353 264 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 264 S C 1.569 176.154 174.600 -0.024 0.000 1.035 264 S CA 1.728 59.923 58.200 -0.009 0.000 1.025 264 S CB -0.032 63.172 63.200 0.006 0.000 0.902 264 S HN 0.540 nan 8.310 nan 0.000 0.440 265 G N 0.346 109.132 108.800 -0.023 0.000 3.899 265 G HA2 0.432 4.392 3.960 -0.000 0.000 0.293 265 G HA3 0.432 4.392 3.960 -0.000 0.000 0.293 265 G C -0.354 174.532 174.900 -0.024 0.000 1.054 265 G CA -0.415 44.676 45.100 -0.015 0.000 0.846 265 G HN 0.306 nan 8.290 nan 0.000 0.525 266 L N 0.921 122.103 121.223 -0.067 0.000 2.453 266 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 266 L C 0.656 177.537 176.870 0.018 0.000 1.182 266 L CA -0.052 54.714 54.840 -0.123 0.000 0.858 266 L CB 0.978 42.919 42.059 -0.198 0.000 1.120 266 L HN -0.025 nan 8.230 nan 0.000 0.474 267 K N 1.566 121.971 120.400 0.009 0.000 2.270 267 K HA 0.628 4.947 4.320 -0.000 0.000 0.276 267 K C -0.075 176.530 176.600 0.008 0.000 1.023 267 K CA 0.200 56.531 56.287 0.073 0.000 0.955 267 K CB 0.952 33.475 32.500 0.039 0.000 0.975 267 K HN 0.702 nan 8.250 nan 0.000 0.471 268 G N 0.511 109.268 108.800 -0.072 0.000 2.727 268 G HA2 0.271 4.231 3.960 -0.000 0.000 0.289 268 G HA3 0.271 4.231 3.960 -0.000 0.000 0.289 268 G C 0.077 174.725 174.900 -0.419 0.000 1.418 268 G CA -0.322 44.636 45.100 -0.237 0.000 0.818 268 G HN 0.839 nan 8.290 nan 0.000 0.486 269 C N -1.050 118.068 119.300 -0.303 0.000 2.700 269 C HA 0.546 5.006 4.460 -0.000 0.000 0.297 269 C C 0.990 175.814 174.990 -0.278 0.000 1.293 269 C CA 0.601 59.450 59.018 -0.281 0.000 1.756 269 C CB -1.039 26.591 27.740 -0.184 0.000 2.210 269 C HN 0.967 nan 8.230 nan 0.000 0.553 270 V N -0.994 118.797 119.914 -0.205 0.000 2.630 270 V HA 0.736 4.856 4.120 -0.000 0.000 0.305 270 V C -1.330 174.604 176.094 -0.266 0.000 1.046 270 V CA -0.578 61.633 62.300 -0.148 0.000 0.934 270 V CB 0.978 32.841 31.823 0.066 0.000 1.003 270 V HN 0.370 nan 8.190 nan 0.000 0.451 271 Y N 1.701 122.034 120.300 0.055 0.000 2.477 271 Y HA 0.778 5.328 4.550 -0.000 0.000 0.347 271 Y C 0.938 176.862 175.900 0.041 0.000 0.981 271 Y CA -0.276 57.847 58.100 0.037 0.000 1.033 271 Y CB 2.259 40.736 38.460 0.028 0.000 1.245 271 Y HN 1.176 nan 8.280 nan 0.000 0.455 272 G N 1.347 110.277 108.800 0.217 0.000 2.157 272 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.239 272 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.239 272 G C -0.084 174.878 174.900 0.102 0.000 0.982 272 G CA -0.427 44.753 45.100 0.134 0.000 0.650 272 G HN 0.468 nan 8.290 nan 0.000 0.527 273 Q N 0.849 120.704 119.800 0.092 0.000 2.279 273 Q HA 0.544 4.884 4.340 -0.000 0.000 0.256 273 Q C 1.352 177.379 176.000 0.045 0.000 0.937 273 Q CA 0.880 56.717 55.803 0.057 0.000 0.933 273 Q CB 1.145 29.902 28.738 0.032 0.000 1.189 273 Q HN 0.603 nan 8.270 nan 0.000 0.417 274 T N -1.020 113.557 114.554 0.040 0.000 2.969 274 T HA 0.335 4.685 4.350 -0.000 0.000 0.258 274 T C 0.502 175.210 174.700 0.013 0.000 0.962 274 T CA 0.241 62.360 62.100 0.032 0.000 0.903 274 T CB 0.347 69.245 68.868 0.049 0.000 1.177 274 T HN 0.462 nan 8.240 nan 0.000 0.511 275 A N 2.332 125.156 122.820 0.008 0.000 2.457 275 A HA 0.626 4.946 4.320 -0.000 0.000 0.298 275 A C 0.285 177.834 177.584 -0.057 0.000 1.288 275 A CA -0.339 51.687 52.037 -0.018 0.000 0.956 275 A CB -1.078 17.915 19.000 -0.012 0.000 1.135 275 A HN 1.165 nan 8.150 nan 0.000 0.535 276 V N 2.476 122.349 119.914 -0.067 0.000 3.242 276 V HA -0.137 3.983 4.120 -0.000 0.000 0.467 276 V C -0.500 175.555 176.094 -0.065 0.000 0.682 276 V CA -0.041 62.206 62.300 -0.089 0.000 2.006 276 V CB -1.056 30.690 31.823 -0.129 0.000 2.468 276 V HN 0.972 nan 8.190 nan 0.000 0.497 277 Q N 3.169 122.934 119.800 -0.058 0.000 2.243 277 Q HA 0.601 4.941 4.340 -0.000 0.000 0.252 277 Q C -0.122 175.856 176.000 -0.036 0.000 0.909 277 Q CA -0.759 55.021 55.803 -0.039 0.000 0.922 277 Q CB 1.906 30.617 28.738 -0.044 0.000 1.215 277 Q HN 0.745 nan 8.270 nan 0.000 0.427 278 L N 2.221 123.431 121.223 -0.021 0.000 2.397 278 L HA 0.320 4.660 4.340 -0.000 0.000 0.271 278 L C -0.766 176.098 176.870 -0.009 0.000 1.148 278 L CA 0.432 55.264 54.840 -0.014 0.000 0.825 278 L CB 0.862 42.918 42.059 -0.005 0.000 1.117 278 L HN 0.650 nan 8.230 nan 0.000 0.456 279 S N 5.296 120.993 115.700 -0.004 0.000 2.652 279 S HA 0.551 5.021 4.470 -0.000 0.000 0.273 279 S C -0.729 173.891 174.600 0.033 0.000 1.172 279 S CA -1.012 57.192 58.200 0.007 0.000 1.009 279 S CB 0.265 63.461 63.200 -0.008 0.000 1.094 279 S HN 0.799 nan 8.310 nan 0.000 0.471 280 L N 0.783 122.039 121.223 0.055 0.000 2.399 280 L HA 1.057 5.397 4.340 -0.000 0.000 0.266 280 L C 0.388 177.339 176.870 0.134 0.000 1.114 280 L CA -0.388 54.530 54.840 0.130 0.000 0.804 280 L CB 0.482 42.638 42.059 0.162 0.000 1.146 280 L HN 0.981 nan 8.230 nan 0.000 0.451 281 G N 0.474 109.367 108.800 0.156 0.000 2.519 281 G HA2 0.518 4.478 3.960 -0.000 0.000 0.292 281 G HA3 0.518 4.478 3.960 -0.000 0.000 0.292 281 G C -3.317 171.621 174.900 0.063 0.000 1.507 281 G CA -0.850 44.306 45.100 0.093 0.000 0.806 281 G HN 0.532 nan 8.290 nan 0.000 0.523 282 P HA 0.515 nan 4.420 nan 0.000 0.277 282 P C -0.761 176.535 177.300 -0.005 0.000 1.240 282 P CA -0.241 62.858 63.100 -0.002 0.000 0.798 282 P CB 1.266 32.960 31.700 -0.011 0.000 0.979 283 M N 1.548 121.136 119.600 -0.019 0.000 2.393 283 M HA 0.724 5.204 4.480 -0.000 0.000 0.299 283 M C -0.374 175.918 176.300 -0.013 0.000 1.103 283 M CA -0.362 54.932 55.300 -0.011 0.000 0.910 283 M CB 2.734 35.330 32.600 -0.006 0.000 1.659 283 M HN 0.452 nan 8.290 nan 0.000 0.445 284 A N 1.649 124.469 122.820 0.001 0.000 2.515 284 A HA 0.668 4.988 4.320 -0.000 0.000 0.299 284 A C -0.206 177.395 177.584 0.029 0.000 1.179 284 A CA -0.710 51.331 52.037 0.006 0.000 0.656 284 A CB 1.326 20.324 19.000 -0.004 0.000 1.306 284 A HN 0.882 nan 8.150 nan 0.000 0.459 285 R N -0.402 120.121 120.500 0.038 0.000 2.210 285 R HA 0.103 4.442 4.340 -0.000 0.000 0.203 285 R C -0.801 175.529 176.300 0.050 0.000 1.010 285 R CA 1.488 57.622 56.100 0.057 0.000 1.008 285 R CB 0.005 30.349 30.300 0.073 0.000 0.923 285 R HN 0.842 nan 8.270 nan 0.000 0.469 286 D N -2.509 117.915 120.400 0.039 0.000 2.661 286 D HA 0.031 4.671 4.640 -0.000 0.000 0.228 286 D C 0.600 176.923 176.300 0.039 0.000 1.210 286 D CA -0.745 53.280 54.000 0.041 0.000 0.826 286 D CB 1.549 42.378 40.800 0.048 0.000 1.542 286 D HN -0.175 nan 8.370 nan 0.000 0.447 287 V N -0.547 119.396 119.914 0.049 0.000 2.913 287 V HA -0.074 4.046 4.120 -0.000 0.000 0.260 287 V C 1.292 177.436 176.094 0.083 0.000 1.098 287 V CA 1.378 63.712 62.300 0.057 0.000 1.121 287 V CB -0.690 31.173 31.823 0.066 0.000 0.714 287 V HN 0.549 nan 8.190 nan 0.000 0.487 288 E N 1.942 122.208 120.200 0.110 0.000 2.152 288 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 288 E C 2.411 179.035 176.600 0.040 0.000 0.983 288 E CA 1.576 58.053 56.400 0.129 0.000 0.818 288 E CB -0.301 29.481 29.700 0.137 0.000 0.758 288 E HN 0.885 nan 8.360 nan 0.000 0.467 289 S N 0.611 116.323 115.700 0.020 0.000 2.406 289 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 289 S C 1.996 176.573 174.600 -0.038 0.000 1.020 289 S CA 0.506 58.699 58.200 -0.011 0.000 0.965 289 S CB -0.410 62.787 63.200 -0.005 0.000 0.798 289 S HN 0.126 nan 8.310 nan 0.000 0.488 290 L N 1.867 123.072 121.223 -0.029 0.000 1.971 290 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 290 L C 3.144 179.957 176.870 -0.096 0.000 1.072 290 L CA 1.567 56.381 54.840 -0.043 0.000 0.758 290 L CB -1.216 40.831 42.059 -0.020 0.000 0.889 290 L HN 0.422 nan 8.230 nan 0.000 0.433 291 A N -0.172 122.569 122.820 -0.132 0.000 1.940 291 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 291 A C 2.350 179.682 177.584 -0.421 0.000 1.176 291 A CA 1.503 53.359 52.037 -0.302 0.000 0.631 291 A CB -0.723 18.051 19.000 -0.377 0.000 0.814 291 A HN 0.415 nan 8.150 nan 0.000 0.446 292 L N -0.862 120.230 121.223 -0.218 0.000 2.046 292 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 292 L C 2.707 179.457 176.870 -0.200 0.000 1.077 292 L CA 1.989 56.713 54.840 -0.192 0.000 0.747 292 L CB -0.516 41.492 42.059 -0.086 0.000 0.896 292 L HN 0.620 nan 8.230 nan 0.000 0.432 293 C N -0.189 119.019 119.300 -0.153 0.000 2.446 293 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 293 C C 2.781 177.695 174.990 -0.127 0.000 1.275 293 C CA 0.400 59.349 59.018 -0.115 0.000 1.727 293 C CB -0.819 26.876 27.740 -0.076 0.000 2.010 293 C HN 0.497 nan 8.230 nan 0.000 0.486 294 L N 0.857 121.987 121.223 -0.155 0.000 2.046 294 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 294 L C 2.644 179.399 176.870 -0.192 0.000 1.077 294 L CA 2.231 57.015 54.840 -0.093 0.000 0.747 294 L CB -0.656 41.424 42.059 0.035 0.000 0.896 294 L HN 0.463 nan 8.230 nan 0.000 0.432 295 K N 0.190 120.219 120.400 -0.618 0.000 2.057 295 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 295 K C 1.900 178.380 176.600 -0.201 0.000 1.049 295 K CA 1.561 57.518 56.287 -0.551 0.000 0.931 295 K CB -0.164 31.883 32.500 -0.756 0.000 0.714 295 K HN 0.263 nan 8.250 nan 0.000 0.440 296 A N 0.484 123.198 122.820 -0.178 0.000 1.968 296 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 296 A C 1.970 179.501 177.584 -0.088 0.000 1.169 296 A CA 0.894 52.866 52.037 -0.107 0.000 0.638 296 A CB -0.348 18.594 19.000 -0.097 0.000 0.812 296 A HN 0.309 nan 8.150 nan 0.000 0.446 297 L N -0.982 120.196 121.223 -0.076 0.000 2.127 297 L HA 0.148 4.488 4.340 -0.000 0.000 0.203 297 L C 0.607 177.415 176.870 -0.103 0.000 1.080 297 L CA 0.945 55.750 54.840 -0.058 0.000 0.768 297 L CB -0.975 41.081 42.059 -0.004 0.000 0.924 297 L HN 0.224 nan 8.230 nan 0.000 0.444 298 L N 1.160 122.355 121.223 -0.046 0.000 2.376 298 L HA 0.102 4.442 4.340 -0.000 0.000 0.250 298 L C 0.161 176.907 176.870 -0.206 0.000 1.335 298 L CA -0.142 54.671 54.840 -0.045 0.000 1.214 298 L CB -1.229 40.995 42.059 0.274 0.000 1.395 298 L HN 0.355 nan 8.230 nan 0.000 0.424 299 C N -2.061 116.909 119.300 -0.551 0.000 3.080 299 C HA 0.750 5.210 4.460 -0.000 0.000 0.307 299 C C 1.462 176.082 174.990 -0.616 0.000 1.311 299 C CA -0.386 58.403 59.018 -0.382 0.000 1.533 299 C CB 1.263 28.927 27.740 -0.127 0.000 1.970 299 C HN 0.583 nan 8.230 nan 0.000 0.467 300 E N -1.075 118.996 120.200 -0.214 0.000 2.533 300 E HA -0.131 4.219 4.350 -0.000 0.000 0.203 300 E C 1.360 177.871 176.600 -0.149 0.000 1.101 300 E CA 1.466 57.821 56.400 -0.076 0.000 0.894 300 E CB -0.952 28.760 29.700 0.020 0.000 0.843 300 E HN 0.839 nan 8.360 nan 0.000 0.552 301 H N -0.997 117.980 119.070 -0.155 0.000 2.355 301 H HA 0.140 4.696 4.556 -0.000 0.000 0.303 301 H C 2.283 177.540 175.328 -0.118 0.000 1.061 301 H CA 1.366 57.350 56.048 -0.106 0.000 1.368 301 H CB 0.043 29.746 29.762 -0.099 0.000 1.412 301 H HN 0.446 nan 8.280 nan 0.000 0.523 302 L N 0.463 121.611 121.223 -0.125 0.000 2.093 302 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 302 L C 1.325 178.222 176.870 0.044 0.000 1.085 302 L CA 1.043 55.812 54.840 -0.118 0.000 0.755 302 L CB -0.218 41.687 42.059 -0.258 0.000 0.904 302 L HN 0.018 nan 8.230 nan 0.000 0.435 303 F N -0.904 119.077 119.950 0.051 0.000 2.795 303 F HA 0.066 4.593 4.527 -0.000 0.000 0.303 303 F C 1.718 177.526 175.800 0.013 0.000 1.186 303 F CA 0.504 58.521 58.000 0.028 0.000 1.415 303 F CB -1.187 37.823 39.000 0.017 0.000 1.106 303 F HN 0.087 nan 8.300 nan 0.000 0.558 304 T N -2.077 112.567 114.554 0.150 0.000 3.105 304 T HA 0.236 4.586 4.350 -0.000 0.000 0.257 304 T C 0.770 175.510 174.700 0.066 0.000 0.949 304 T CA -0.104 62.046 62.100 0.083 0.000 0.959 304 T CB 0.118 69.008 68.868 0.037 0.000 1.205 304 T HN -0.087 nan 8.240 nan 0.000 0.496 305 L N 3.672 124.937 121.223 0.070 0.000 2.395 305 L HA 0.412 4.752 4.340 -0.000 0.000 0.268 305 L C -0.547 176.364 176.870 0.068 0.000 1.223 305 L CA -0.007 54.869 54.840 0.059 0.000 1.093 305 L CB -0.493 41.599 42.059 0.054 0.000 1.349 305 L HN 0.192 nan 8.230 nan 0.000 0.427 306 D N 1.444 121.885 120.400 0.069 0.000 3.244 306 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 306 D C -1.775 174.587 176.300 0.104 0.000 1.032 306 D CA -0.260 53.788 54.000 0.080 0.000 0.949 306 D CB 0.282 41.135 40.800 0.088 0.000 0.805 306 D HN 0.187 nan 8.370 nan 0.000 0.398 307 P HA -0.149 nan 4.420 nan 0.000 0.225 307 P C 1.447 178.770 177.300 0.038 0.000 1.148 307 P CA 1.631 64.766 63.100 0.058 0.000 0.779 307 P CB -0.092 31.628 31.700 0.032 0.000 0.780 308 T N -2.771 111.810 114.554 0.045 0.000 2.915 308 T HA -0.014 4.336 4.350 -0.000 0.000 0.269 308 T C 1.007 175.735 174.700 0.046 0.000 1.071 308 T CA 0.236 62.357 62.100 0.036 0.000 1.132 308 T CB -1.227 67.666 68.868 0.041 0.000 0.878 308 T HN -0.153 nan 8.240 nan 0.000 0.479 309 V N 5.149 125.111 119.914 0.081 0.000 2.540 309 V HA 0.195 4.315 4.120 -0.000 0.000 0.297 309 V C -1.918 174.161 176.094 -0.025 0.000 1.024 309 V CA -1.747 60.614 62.300 0.102 0.000 1.105 309 V CB 0.127 32.075 31.823 0.209 0.000 0.938 309 V HN 0.411 nan 8.190 nan 0.000 0.482 310 P HA 0.148 nan 4.420 nan 0.000 0.262 310 P C -2.624 174.367 177.300 -0.514 0.000 1.199 310 P CA -1.424 61.497 63.100 -0.297 0.000 0.763 310 P CB -0.023 31.418 31.700 -0.432 0.000 0.790 311 P HA 0.213 nan 4.420 nan 0.000 0.241 311 P C -0.308 176.378 177.300 -1.024 0.000 1.760 311 P CA 0.289 62.465 63.100 -1.540 0.000 1.081 311 P CB -0.098 31.082 31.700 -0.865 0.000 1.975 312 L N 4.964 125.734 121.223 -0.755 0.000 2.262 312 L HA 0.393 4.733 4.340 -0.000 0.000 0.288 312 L C -1.894 175.040 176.870 0.107 0.000 1.035 312 L CA -2.269 52.430 54.840 -0.235 0.000 0.820 312 L CB 1.395 43.371 42.059 -0.137 0.000 1.204 312 L HN 0.088 nan 8.230 nan 0.000 0.424 313 P HA -0.002 nan 4.420 nan 0.000 0.275 313 P C -0.541 176.903 177.300 0.239 0.000 1.228 313 P CA -0.346 62.929 63.100 0.291 0.000 0.786 313 P CB 0.620 32.445 31.700 0.208 0.000 0.927 314 F N 3.541 123.575 119.950 0.141 0.000 2.571 314 F HA 0.017 4.544 4.527 -0.000 0.000 0.390 314 F C 1.092 176.947 175.800 0.092 0.000 1.043 314 F CA 0.185 58.245 58.000 0.098 0.000 1.164 314 F CB 0.282 39.325 39.000 0.072 0.000 1.049 314 F HN 0.138 nan 8.300 nan 0.000 0.552 315 R N 5.455 125.818 120.500 -0.227 0.000 2.296 315 R HA 0.045 4.385 4.340 -0.000 0.000 0.327 315 R C 0.918 177.167 176.300 -0.084 0.000 1.137 315 R CA -0.278 55.764 56.100 -0.098 0.000 1.020 315 R CB 0.739 30.976 30.300 -0.105 0.000 1.110 315 R HN 0.704 nan 8.270 nan 0.000 0.499 316 E N 2.569 122.876 120.200 0.178 0.000 2.110 316 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 316 E C 1.676 178.390 176.600 0.190 0.000 0.988 316 E CA 1.523 58.115 56.400 0.321 0.000 0.804 316 E CB 0.315 30.201 29.700 0.310 0.000 0.745 316 E HN 0.558 nan 8.360 nan 0.000 0.458 317 E N 0.123 120.384 120.200 0.102 0.000 2.347 317 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 317 E C 1.907 178.532 176.600 0.042 0.000 1.008 317 E CA 0.766 57.201 56.400 0.059 0.000 0.852 317 E CB -0.192 29.533 29.700 0.042 0.000 0.783 317 E HN 0.248 nan 8.360 nan 0.000 0.505 318 V N 0.585 120.520 119.914 0.036 0.000 2.407 318 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 318 V C 2.231 178.378 176.094 0.088 0.000 1.041 318 V CA 1.521 63.838 62.300 0.029 0.000 1.040 318 V CB -0.834 30.977 31.823 -0.019 0.000 0.671 318 V HN 0.216 nan 8.190 nan 0.000 0.455 319 Y N 1.783 122.060 120.300 -0.038 0.000 2.133 319 Y HA -0.124 4.426 4.550 -0.000 0.000 0.287 319 Y C 2.569 178.513 175.900 0.074 0.000 1.134 319 Y CA 1.529 59.646 58.100 0.029 0.000 1.133 319 Y CB -0.287 38.228 38.460 0.091 0.000 0.987 319 Y HN 0.050 nan 8.280 nan 0.000 0.502 320 R N 0.996 121.423 120.500 -0.121 0.000 2.316 320 R HA 0.007 4.347 4.340 -0.000 0.000 0.202 320 R C 1.132 177.370 176.300 -0.104 0.000 1.029 320 R CA 0.706 56.676 56.100 -0.216 0.000 1.018 320 R CB -0.783 29.460 30.300 -0.095 0.000 0.888 320 R HN 0.403 nan 8.270 nan 0.000 0.471 321 S N 0.320 115.996 115.700 -0.040 0.000 2.584 321 S HA 0.075 4.545 4.470 -0.000 0.000 0.270 321 S C 0.869 175.472 174.600 0.005 0.000 1.346 321 S CA -0.200 57.996 58.200 -0.006 0.000 1.018 321 S CB 1.344 64.554 63.200 0.017 0.000 0.899 321 S HN 0.204 nan 8.310 nan 0.000 0.542 322 S N -0.289 115.424 115.700 0.021 0.000 2.787 322 S HA 0.334 4.804 4.470 -0.000 0.000 0.255 322 S C 0.729 175.368 174.600 0.065 0.000 1.051 322 S CA -0.057 58.173 58.200 0.050 0.000 1.124 322 S CB -0.417 62.803 63.200 0.033 0.000 1.104 322 S HN 1.169 nan 8.310 nan 0.000 0.623 323 R N 3.563 124.090 120.500 0.045 0.000 2.480 323 R HA 0.478 4.818 4.340 -0.000 0.000 0.303 323 R C -2.346 173.994 176.300 0.066 0.000 0.985 323 R CA -0.906 55.217 56.100 0.038 0.000 1.051 323 R CB -1.601 28.712 30.300 0.022 0.000 0.935 323 R HN 0.422 nan 8.270 nan 0.000 0.410 324 P HA 0.201 nan 4.420 nan 0.000 0.269 324 P C -0.747 176.641 177.300 0.147 0.000 1.215 324 P CA -0.228 62.952 63.100 0.133 0.000 0.780 324 P CB 0.573 32.272 31.700 -0.002 0.000 0.898 325 L N 2.004 123.384 121.223 0.261 0.000 2.334 325 L HA 0.481 4.821 4.340 -0.000 0.000 0.276 325 L C 0.950 177.807 176.870 -0.022 0.000 1.014 325 L CA -1.038 53.823 54.840 0.036 0.000 0.815 325 L CB 1.412 43.399 42.059 -0.120 0.000 1.268 325 L HN 0.177 nan 8.230 nan 0.000 0.428 326 R N 2.436 122.872 120.500 -0.105 0.000 2.242 326 R HA 0.322 4.662 4.340 -0.000 0.000 0.334 326 R C -1.006 175.134 176.300 -0.267 0.000 1.071 326 R CA -0.398 55.610 56.100 -0.153 0.000 0.922 326 R CB 0.660 30.854 30.300 -0.177 0.000 1.023 326 R HN 0.300 nan 8.270 nan 0.000 0.458 327 V N 3.053 122.839 119.914 -0.212 0.000 2.313 327 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 327 V C 0.834 176.859 176.094 -0.115 0.000 1.017 327 V CA -0.815 61.323 62.300 -0.271 0.000 0.823 327 V CB 1.492 33.179 31.823 -0.226 0.000 1.010 327 V HN 0.914 nan 8.190 nan 0.000 0.443 328 G N 4.385 113.052 108.800 -0.222 0.000 2.441 328 G HA2 0.413 4.373 3.960 -0.000 0.000 0.243 328 G HA3 0.413 4.373 3.960 -0.000 0.000 0.243 328 G C -0.851 174.158 174.900 0.182 0.000 1.281 328 G CA 0.069 45.134 45.100 -0.059 0.000 0.854 328 G HN 0.909 nan 8.290 nan 0.000 0.560 329 Y N 0.920 121.314 120.300 0.157 0.000 2.534 329 Y HA 0.731 5.281 4.550 -0.000 0.000 0.345 329 Y C -1.237 174.829 175.900 0.278 0.000 1.031 329 Y CA -2.164 56.022 58.100 0.143 0.000 1.022 329 Y CB 1.507 40.011 38.460 0.073 0.000 1.292 329 Y HN 0.816 nan 8.280 nan 0.000 0.459 330 Y N -0.028 120.417 120.300 0.242 0.000 2.562 330 Y HA 0.679 5.229 4.550 -0.000 0.000 0.345 330 Y C -0.255 175.811 175.900 0.276 0.000 1.045 330 Y CA -1.334 56.864 58.100 0.164 0.000 1.028 330 Y CB 1.970 40.487 38.460 0.097 0.000 1.297 330 Y HN 0.653 nan 8.280 nan 0.000 0.463 331 E N 0.359 120.797 120.200 0.396 0.000 2.216 331 E HA 0.114 4.464 4.350 -0.000 0.000 0.192 331 E C -0.057 176.769 176.600 0.377 0.000 0.973 331 E CA 0.837 57.418 56.400 0.302 0.000 0.851 331 E CB 0.660 30.517 29.700 0.262 0.000 0.804 331 E HN 0.685 nan 8.360 nan 0.000 0.477 332 T N -0.523 114.323 114.554 0.487 0.000 2.896 332 T HA 0.121 4.471 4.350 -0.000 0.000 0.297 332 T C -0.792 174.207 174.700 0.498 0.000 1.108 332 T CA -0.658 61.779 62.100 0.561 0.000 1.004 332 T CB 1.226 70.353 68.868 0.431 0.000 1.159 332 T HN 0.021 nan 8.240 nan 0.000 0.499 333 D N 1.550 122.169 120.400 0.365 0.000 2.340 333 D HA 0.091 4.731 4.640 -0.000 0.000 0.220 333 D C 0.657 176.915 176.300 -0.071 0.000 1.039 333 D CA 0.064 54.044 54.000 -0.034 0.000 0.866 333 D CB -0.609 40.028 40.800 -0.271 0.000 0.913 333 D HN 0.734 nan 8.370 nan 0.000 0.523 334 N N -2.117 116.539 118.700 -0.074 0.000 2.815 334 N HA -0.319 4.421 4.740 -0.000 0.000 0.247 334 N C -0.071 175.355 175.510 -0.140 0.000 1.030 334 N CA 1.303 54.093 53.050 -0.432 0.000 0.881 334 N CB -1.678 36.556 38.487 -0.421 0.000 1.134 334 N HN 0.455 nan 8.380 nan 0.000 0.582 335 Y N -0.042 120.288 120.300 0.050 0.000 2.488 335 Y HA 0.232 4.781 4.550 -0.000 0.000 0.262 335 Y C 0.681 176.837 175.900 0.425 0.000 1.108 335 Y CA 0.596 58.865 58.100 0.281 0.000 1.299 335 Y CB 0.511 38.992 38.460 0.035 0.000 1.231 335 Y HN -0.072 nan 8.280 nan 0.000 0.507 336 T N 3.361 118.146 114.554 0.384 0.000 2.737 336 T HA 0.167 4.517 4.350 -0.000 0.000 0.296 336 T C -0.279 174.764 174.700 0.572 0.000 0.922 336 T CA -0.304 62.040 62.100 0.406 0.000 1.079 336 T CB 0.295 69.388 68.868 0.374 0.000 0.892 336 T HN 0.226 nan 8.240 nan 0.000 0.514 337 M N 6.013 125.868 119.600 0.425 0.000 2.269 337 M HA 0.153 4.633 4.480 -0.000 0.000 0.350 337 M C -2.212 174.349 176.300 0.434 0.000 1.429 337 M CA -1.262 54.157 55.300 0.198 0.000 1.063 337 M CB 0.410 32.664 32.600 -0.576 0.000 1.841 337 M HN 0.238 nan 8.290 nan 0.000 0.455 338 P HA 0.051 nan 4.420 nan 0.000 0.268 338 P C -1.018 176.495 177.300 0.354 0.000 1.205 338 P CA -0.250 63.047 63.100 0.328 0.000 0.771 338 P CB 0.561 32.410 31.700 0.247 0.000 0.858 339 S N 4.043 119.885 115.700 0.236 0.000 2.579 339 S HA 0.146 4.616 4.470 -0.000 0.000 0.275 339 S C -1.313 173.357 174.600 0.117 0.000 1.345 339 S CA -0.704 57.582 58.200 0.144 0.000 1.031 339 S CB -0.199 63.003 63.200 0.003 0.000 0.892 339 S HN 0.317 nan 8.310 nan 0.000 0.529 340 P HA -0.204 nan 4.420 nan 0.000 0.216 340 P C 1.549 178.866 177.300 0.029 0.000 1.154 340 P CA 2.181 65.318 63.100 0.061 0.000 0.865 340 P CB -0.449 31.280 31.700 0.048 0.000 0.789 341 A N -0.649 122.175 122.820 0.006 0.000 1.908 341 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 341 A C 2.454 180.029 177.584 -0.014 0.000 1.181 341 A CA 2.296 54.324 52.037 -0.015 0.000 0.627 341 A CB -1.483 17.493 19.000 -0.039 0.000 0.818 341 A HN 0.108 nan 8.150 nan 0.000 0.445 342 M N -1.668 117.930 119.600 -0.003 0.000 2.065 342 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 342 M C 2.377 178.674 176.300 -0.006 0.000 1.071 342 M CA 2.208 57.498 55.300 -0.017 0.000 1.109 342 M CB -0.244 32.349 32.600 -0.011 0.000 1.313 342 M HN 0.446 nan 8.290 nan 0.000 0.408 343 R N 0.101 120.621 120.500 0.033 0.000 2.096 343 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 343 R C 2.167 178.482 176.300 0.026 0.000 1.139 343 R CA 2.020 58.150 56.100 0.050 0.000 0.952 343 R CB -0.357 29.988 30.300 0.076 0.000 0.854 343 R HN 0.248 nan 8.270 nan 0.000 0.436 344 R N -0.588 119.920 120.500 0.015 0.000 2.073 344 R HA -0.076 4.263 4.340 -0.000 0.000 0.234 344 R C 2.064 178.355 176.300 -0.015 0.000 1.134 344 R CA 1.578 57.679 56.100 0.002 0.000 0.952 344 R CB -0.414 29.885 30.300 -0.001 0.000 0.850 344 R HN 0.352 nan 8.270 nan 0.000 0.433 345 A N 1.043 123.848 122.820 -0.025 0.000 2.070 345 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 345 A C 1.989 179.545 177.584 -0.047 0.000 1.159 345 A CA 0.933 52.945 52.037 -0.041 0.000 0.656 345 A CB -0.363 18.607 19.000 -0.050 0.000 0.800 345 A HN 0.387 nan 8.150 nan 0.000 0.453 346 L N -0.813 120.387 121.223 -0.038 0.000 2.200 346 L HA 0.135 4.475 4.340 -0.000 0.000 0.200 346 L C 2.206 179.049 176.870 -0.046 0.000 1.072 346 L CA 1.300 56.115 54.840 -0.041 0.000 0.787 346 L CB -0.635 41.409 42.059 -0.025 0.000 0.957 346 L HN 0.389 nan 8.230 nan 0.000 0.459 347 I N 0.301 120.855 120.570 -0.028 0.000 2.179 347 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 347 I C 2.431 178.513 176.117 -0.059 0.000 1.088 347 I CA 1.178 62.452 61.300 -0.043 0.000 1.357 347 I CB -0.057 37.941 38.000 -0.003 0.000 1.051 347 I HN 0.332 nan 8.210 nan 0.000 0.409 348 E N -0.088 120.088 120.200 -0.040 0.000 2.038 348 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 348 E C 2.119 178.691 176.600 -0.047 0.000 1.000 348 E CA 1.950 58.328 56.400 -0.037 0.000 0.803 348 E CB -0.129 29.554 29.700 -0.028 0.000 0.750 348 E HN 0.302 nan 8.360 nan 0.000 0.448 349 T N 0.429 114.950 114.554 -0.055 0.000 3.007 349 T HA -0.116 4.234 4.350 -0.000 0.000 0.270 349 T C 1.671 176.335 174.700 -0.060 0.000 1.107 349 T CA 0.996 63.062 62.100 -0.057 0.000 1.118 349 T CB -0.030 68.794 68.868 -0.072 0.000 0.889 349 T HN 0.032 nan 8.240 nan 0.000 0.506 350 K N 0.361 120.700 120.400 -0.102 0.000 2.062 350 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 350 K C 2.147 178.675 176.600 -0.119 0.000 1.051 350 K CA 1.366 57.550 56.287 -0.172 0.000 0.941 350 K CB -0.192 32.087 32.500 -0.369 0.000 0.719 350 K HN 0.332 nan 8.250 nan 0.000 0.440 351 Q N 0.161 119.909 119.800 -0.088 0.000 2.124 351 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 351 Q C 2.226 178.217 176.000 -0.016 0.000 0.977 351 Q CA 1.399 57.172 55.803 -0.049 0.000 0.850 351 Q CB 0.089 28.805 28.738 -0.038 0.000 0.901 351 Q HN 0.195 nan 8.270 nan 0.000 0.429 352 R N -0.089 120.406 120.500 -0.007 0.000 2.090 352 R HA -0.030 4.310 4.340 -0.000 0.000 0.228 352 R C 2.115 178.454 176.300 0.066 0.000 1.110 352 R CA 0.889 57.000 56.100 0.018 0.000 0.973 352 R CB -0.355 29.949 30.300 0.007 0.000 0.869 352 R HN 0.326 nan 8.270 nan 0.000 0.440 353 L N 0.480 121.755 121.223 0.086 0.000 2.217 353 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 353 L C 1.929 178.919 176.870 0.200 0.000 1.107 353 L CA 1.023 55.993 54.840 0.216 0.000 0.783 353 L CB -0.209 41.948 42.059 0.164 0.000 0.919 353 L HN 0.143 nan 8.230 nan 0.000 0.442 354 E N 0.087 120.332 120.200 0.075 0.000 2.274 354 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 354 E C 2.093 178.703 176.600 0.017 0.000 0.996 354 E CA 0.830 57.252 56.400 0.037 0.000 0.840 354 E CB 0.010 29.710 29.700 0.001 0.000 0.772 354 E HN 0.470 nan 8.360 nan 0.000 0.491 355 A N 0.624 123.456 122.820 0.021 0.000 2.132 355 A HA 0.258 4.578 4.320 -0.000 0.000 0.213 355 A C 1.949 179.525 177.584 -0.013 0.000 1.154 355 A CA 0.749 52.788 52.037 0.003 0.000 0.753 355 A CB 0.202 19.206 19.000 0.006 0.000 0.826 355 A HN 0.196 nan 8.150 nan 0.000 0.469 356 A N -1.764 121.048 122.820 -0.014 0.000 2.460 356 A HA 0.486 4.806 4.320 -0.000 0.000 0.258 356 A C 1.546 178.946 177.584 -0.308 0.000 1.300 356 A CA 0.966 52.945 52.037 -0.096 0.000 0.913 356 A CB -0.671 18.337 19.000 0.015 0.000 1.031 356 A HN 1.632 nan 8.150 nan 0.000 0.512 357 G N -0.588 108.084 108.800 -0.213 0.000 2.345 357 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 357 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 357 G C 0.213 175.002 174.900 -0.184 0.000 1.058 357 G CA 0.191 45.160 45.100 -0.217 0.000 0.632 357 G HN 0.782 nan 8.290 nan 0.000 0.508 358 H N 1.010 120.087 119.070 0.011 0.000 2.929 358 H HA 0.499 5.055 4.556 -0.000 0.000 0.358 358 H C 0.705 176.033 175.328 0.001 0.000 1.111 358 H CA 1.145 57.197 56.048 0.006 0.000 1.409 358 H CB 0.733 30.510 29.762 0.025 0.000 1.373 358 H HN 0.247 nan 8.280 nan 0.000 0.610 359 T N 2.645 117.271 114.554 0.119 0.000 2.779 359 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 359 T C -0.892 173.849 174.700 0.069 0.000 0.987 359 T CA -0.962 61.177 62.100 0.065 0.000 0.966 359 T CB 0.239 69.126 68.868 0.031 0.000 0.933 359 T HN 0.296 nan 8.240 nan 0.000 0.442 360 L N 6.541 127.827 121.223 0.104 0.000 2.294 360 L HA 0.542 4.882 4.340 -0.000 0.000 0.283 360 L C -0.584 176.506 176.870 0.368 0.000 1.015 360 L CA -0.560 54.399 54.840 0.200 0.000 0.831 360 L CB 1.177 43.270 42.059 0.057 0.000 1.217 360 L HN 0.721 nan 8.230 nan 0.000 0.420 361 I N 5.623 126.372 120.570 0.299 0.000 2.378 361 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 361 I C -2.089 173.934 176.117 -0.156 0.000 0.992 361 I CA -2.023 59.340 61.300 0.104 0.000 1.154 361 I CB 1.834 39.834 38.000 -0.001 0.000 1.315 361 I HN 0.339 nan 8.210 nan 0.000 0.448 362 P HA 0.029 nan 4.420 nan 0.000 0.259 362 P C -1.060 176.179 177.300 -0.100 0.000 1.211 362 P CA 0.479 63.282 63.100 -0.494 0.000 0.810 362 P CB -0.187 31.351 31.700 -0.270 0.000 0.815 363 F N 5.244 125.073 119.950 -0.203 0.000 2.557 363 F HA 0.581 5.108 4.527 -0.000 0.000 0.316 363 F C -1.596 174.229 175.800 0.041 0.000 1.141 363 F CA -1.224 56.744 58.000 -0.054 0.000 0.922 363 F CB 1.332 40.307 39.000 -0.041 0.000 1.194 363 F HN 0.028 nan 8.300 nan 0.000 0.443 364 L N 8.175 128.904 121.223 -0.823 0.000 2.365 364 L HA 0.700 5.040 4.340 -0.000 0.000 0.273 364 L C -2.516 173.594 176.870 -1.268 0.000 1.000 364 L CA -2.325 51.965 54.840 -0.917 0.000 0.819 364 L CB 1.857 43.563 42.059 -0.589 0.000 1.284 364 L HN 0.385 nan 8.230 nan 0.000 0.418 365 P HA 0.061 nan 4.420 nan 0.000 0.261 365 P C -1.285 175.845 177.300 -0.283 0.000 1.183 365 P CA 0.101 62.964 63.100 -0.395 0.000 0.761 365 P CB -0.002 31.614 31.700 -0.139 0.000 0.785 366 N N 2.182 120.785 118.700 -0.162 0.000 2.416 366 N HA -0.053 4.687 4.740 -0.000 0.000 0.246 366 N C -0.377 175.191 175.510 0.096 0.000 1.260 366 N CA -0.401 52.618 53.050 -0.051 0.000 0.897 366 N CB -0.547 37.934 38.487 -0.010 0.000 1.110 366 N HN 0.264 nan 8.380 nan 0.000 0.439 367 N N 0.039 118.775 118.700 0.061 0.000 2.705 367 N HA -0.189 4.551 4.740 -0.000 0.000 0.255 367 N C 0.345 175.874 175.510 0.031 0.000 1.008 367 N CA 0.539 53.648 53.050 0.099 0.000 0.742 367 N CB -0.659 37.956 38.487 0.214 0.000 0.906 367 N HN 0.480 nan 8.380 nan 0.000 0.541 368 I N -0.433 120.088 120.570 -0.081 0.000 2.091 368 I HA -0.202 3.968 4.170 -0.000 0.000 0.239 368 I C -0.484 175.453 176.117 -0.300 0.000 1.061 368 I CA 1.720 62.888 61.300 -0.221 0.000 1.317 368 I CB -1.995 35.843 38.000 -0.269 0.000 1.031 368 I HN 0.209 nan 8.210 nan 0.000 0.401 369 P HA -0.213 nan 4.420 nan 0.000 0.215 369 P C 1.848 179.044 177.300 -0.174 0.000 1.153 369 P CA 1.456 64.405 63.100 -0.253 0.000 0.853 369 P CB -0.310 31.392 31.700 0.003 0.000 0.788 370 Y N 1.277 121.442 120.300 -0.224 0.000 2.069 370 Y HA -0.294 4.256 4.550 -0.000 0.000 0.278 370 Y C 2.383 178.075 175.900 -0.346 0.000 1.175 370 Y CA 1.825 59.782 58.100 -0.238 0.000 1.134 370 Y CB -1.310 37.020 38.460 -0.218 0.000 0.965 370 Y HN -0.088 nan 8.280 nan 0.000 0.498 371 A N -0.365 122.071 122.820 -0.640 0.000 1.969 371 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 371 A C 2.318 179.540 177.584 -0.604 0.000 1.169 371 A CA 1.562 53.057 52.037 -0.902 0.000 0.635 371 A CB -0.917 17.435 19.000 -1.080 0.000 0.810 371 A HN 0.549 nan 8.150 nan 0.000 0.445 372 L N -1.041 119.886 121.223 -0.492 0.000 2.049 372 L HA -0.094 4.246 4.340 -0.000 0.000 0.203 372 L C 2.582 179.283 176.870 -0.281 0.000 1.074 372 L CA 1.426 56.020 54.840 -0.410 0.000 0.749 372 L CB -0.638 41.097 42.059 -0.541 0.000 0.907 372 L HN 0.380 nan 8.230 nan 0.000 0.439 373 E N -0.176 119.883 120.200 -0.235 0.000 2.028 373 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 373 E C 2.199 178.746 176.600 -0.088 0.000 0.984 373 E CA 1.475 57.828 56.400 -0.079 0.000 0.800 373 E CB -0.141 29.558 29.700 -0.002 0.000 0.758 373 E HN 0.350 nan 8.360 nan 0.000 0.448 374 V N 0.623 120.437 119.914 -0.167 0.000 2.426 374 V HA -0.091 4.029 4.120 -0.000 0.000 0.242 374 V C 1.929 177.859 176.094 -0.273 0.000 1.036 374 V CA 1.003 63.199 62.300 -0.175 0.000 1.044 374 V CB -0.249 31.534 31.823 -0.066 0.000 0.688 374 V HN 0.165 nan 8.190 nan 0.000 0.462 375 L N 0.516 121.456 121.223 -0.471 0.000 2.022 375 L HA -0.021 4.319 4.340 -0.000 0.000 0.204 375 L C 2.836 179.524 176.870 -0.303 0.000 1.076 375 L CA 1.841 56.419 54.840 -0.437 0.000 0.749 375 L CB -1.005 40.671 42.059 -0.638 0.000 0.903 375 L HN 0.343 nan 8.230 nan 0.000 0.439 376 S N 0.527 116.035 115.700 -0.321 0.000 2.343 376 S HA -0.147 4.323 4.470 -0.000 0.000 0.219 376 S C 2.180 176.655 174.600 -0.208 0.000 1.033 376 S CA 1.239 59.285 58.200 -0.257 0.000 1.014 376 S CB -0.512 62.525 63.200 -0.272 0.000 0.915 376 S HN 0.450 nan 8.310 nan 0.000 0.435 377 A N 1.539 124.263 122.820 -0.160 0.000 1.930 377 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 377 A C 2.319 179.869 177.584 -0.058 0.000 1.175 377 A CA 1.647 53.635 52.037 -0.083 0.000 0.627 377 A CB -1.368 17.676 19.000 0.073 0.000 0.815 377 A HN 0.528 nan 8.150 nan 0.000 0.443 378 G N -0.707 108.056 108.800 -0.061 0.000 2.421 378 G HA2 0.111 4.071 3.960 -0.000 0.000 0.217 378 G HA3 0.111 4.071 3.960 -0.000 0.000 0.217 378 G C 1.483 176.354 174.900 -0.048 0.000 1.143 378 G CA 1.148 46.229 45.100 -0.031 0.000 0.784 378 G HN 0.668 nan 8.290 nan 0.000 0.541 379 G N 1.075 109.815 108.800 -0.101 0.000 2.446 379 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 379 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 379 G C 1.733 176.565 174.900 -0.115 0.000 1.168 379 G CA 0.705 45.746 45.100 -0.098 0.000 0.771 379 G HN 0.406 nan 8.290 nan 0.000 0.551 380 L N -1.228 119.869 121.223 -0.211 0.000 2.217 380 L HA 0.180 4.520 4.340 -0.000 0.000 0.211 380 L C 1.004 177.651 176.870 -0.373 0.000 1.107 380 L CA 0.523 55.134 54.840 -0.381 0.000 0.783 380 L CB 0.001 41.686 42.059 -0.624 0.000 0.919 380 L HN 0.114 nan 8.230 nan 0.000 0.442 381 F N -1.152 118.746 119.950 -0.086 0.000 2.818 381 F HA 0.197 4.724 4.527 -0.000 0.000 0.369 381 F C 1.692 177.452 175.800 -0.066 0.000 1.327 381 F CA -0.682 57.261 58.000 -0.095 0.000 1.211 381 F CB -0.246 38.674 39.000 -0.133 0.000 1.036 381 F HN -0.133 nan 8.300 nan 0.000 0.510 382 S N -0.580 115.193 115.700 0.122 0.000 2.383 382 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 382 S C 1.774 176.408 174.600 0.057 0.000 1.026 382 S CA 1.388 59.627 58.200 0.066 0.000 0.981 382 S CB -0.192 63.032 63.200 0.040 0.000 0.818 382 S HN 0.584 nan 8.310 nan 0.000 0.472 383 D N 1.120 121.566 120.400 0.078 0.000 2.349 383 D HA 0.100 4.740 4.640 -0.000 0.000 0.224 383 D C 1.311 177.636 176.300 0.041 0.000 1.029 383 D CA 0.802 54.838 54.000 0.060 0.000 0.879 383 D CB -0.527 40.319 40.800 0.077 0.000 0.906 383 D HN 0.480 nan 8.370 nan 0.000 0.528 384 G N -0.171 108.645 108.800 0.027 0.000 2.159 384 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.256 384 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.256 384 G C 1.123 175.962 174.900 -0.101 0.000 0.977 384 G CA 0.406 45.474 45.100 -0.053 0.000 0.652 384 G HN 1.371 nan 8.290 nan 0.000 0.531 385 G N -2.140 106.654 108.800 -0.009 0.000 2.176 385 G HA2 0.144 4.104 3.960 -0.000 0.000 0.232 385 G HA3 0.144 4.104 3.960 -0.000 0.000 0.232 385 G C 1.299 176.288 174.900 0.149 0.000 0.986 385 G CA 1.507 46.623 45.100 0.028 0.000 0.643 385 G HN 1.913 nan 8.290 nan 0.000 0.522 386 R N 0.928 121.488 120.500 0.101 0.000 2.070 386 R HA 0.089 4.429 4.340 -0.000 0.000 0.232 386 R C 2.909 179.284 176.300 0.126 0.000 1.138 386 R CA 2.886 59.041 56.100 0.092 0.000 0.936 386 R CB -1.647 28.688 30.300 0.058 0.000 0.839 386 R HN 1.107 nan 8.270 nan 0.000 0.429 387 S N 0.401 116.187 115.700 0.142 0.000 2.365 387 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 387 S C 1.931 176.638 174.600 0.178 0.000 1.039 387 S CA 1.355 59.638 58.200 0.138 0.000 1.033 387 S CB -0.637 62.643 63.200 0.134 0.000 0.887 387 S HN 0.569 nan 8.310 nan 0.000 0.447 388 F N 2.172 122.183 119.950 0.103 0.000 2.161 388 F HA 0.010 4.537 4.527 -0.000 0.000 0.300 388 F C 1.730 177.668 175.800 0.229 0.000 1.089 388 F CA 1.128 59.222 58.000 0.158 0.000 1.282 388 F CB -0.276 38.864 39.000 0.232 0.000 1.010 388 F HN 0.086 nan 8.300 nan 0.000 0.485 389 L N -0.336 121.019 121.223 0.219 0.000 2.554 389 L HA -0.063 4.277 4.340 -0.000 0.000 0.226 389 L C 1.970 178.898 176.870 0.097 0.000 1.137 389 L CA 0.340 55.279 54.840 0.164 0.000 0.863 389 L CB -0.450 41.685 42.059 0.127 0.000 0.985 389 L HN 0.157 nan 8.230 nan 0.000 0.451 390 Q N 0.296 120.121 119.800 0.042 0.000 2.297 390 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 390 Q C 1.577 177.535 176.000 -0.071 0.000 0.962 390 Q CA 1.130 56.932 55.803 -0.001 0.000 0.879 390 Q CB 0.061 28.803 28.738 0.006 0.000 0.947 390 Q HN 0.459 nan 8.270 nan 0.000 0.462 391 N N -1.351 117.244 118.700 -0.174 0.000 2.550 391 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 391 N C -0.212 174.997 175.510 -0.500 0.000 1.110 391 N CA 0.533 53.355 53.050 -0.379 0.000 0.912 391 N CB 0.219 38.351 38.487 -0.592 0.000 0.968 391 N HN 0.149 nan 8.380 nan 0.000 0.448 392 F N 0.375 120.222 119.950 -0.172 0.000 2.654 392 F HA 0.275 4.802 4.527 -0.000 0.000 0.303 392 F C 0.541 176.272 175.800 -0.115 0.000 1.099 392 F CA -0.490 57.423 58.000 -0.146 0.000 1.270 392 F CB 0.378 39.284 39.000 -0.156 0.000 1.024 392 F HN -0.245 nan 8.300 nan 0.000 0.548 393 K N 0.679 121.091 120.400 0.020 0.000 2.338 393 K HA 0.371 4.691 4.320 -0.000 0.000 0.290 393 K C 1.101 177.669 176.600 -0.053 0.000 1.069 393 K CA 0.686 56.968 56.287 -0.009 0.000 0.941 393 K CB 0.010 32.499 32.500 -0.018 0.000 1.023 393 K HN 0.397 nan 8.250 nan 0.000 0.477 394 G N 2.971 111.728 108.800 -0.072 0.000 2.143 394 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 394 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 394 G C -0.148 174.612 174.900 -0.234 0.000 0.991 394 G CA 0.195 45.212 45.100 -0.138 0.000 0.689 394 G HN 0.675 nan 8.290 nan 0.000 0.522 395 D N -0.799 119.491 120.400 -0.183 0.000 2.385 395 D HA 0.654 5.294 4.640 -0.000 0.000 0.254 395 D C 0.745 176.865 176.300 -0.300 0.000 1.053 395 D CA -0.647 53.219 54.000 -0.222 0.000 0.992 395 D CB 0.640 41.423 40.800 -0.028 0.000 1.145 395 D HN -0.007 nan 8.370 nan 0.000 0.523 396 F N -0.232 119.754 119.950 0.059 0.000 2.403 396 F HA 0.252 4.779 4.527 -0.000 0.000 0.320 396 F C 0.635 176.503 175.800 0.114 0.000 1.176 396 F CA -0.611 57.425 58.000 0.060 0.000 1.206 396 F CB 0.826 39.845 39.000 0.032 0.000 1.235 396 F HN -0.051 nan 8.300 nan 0.000 0.565 397 V N -0.798 119.289 119.914 0.289 0.000 2.444 397 V HA 0.345 4.465 4.120 -0.000 0.000 0.294 397 V C -0.698 175.481 176.094 0.142 0.000 1.022 397 V CA -0.971 61.433 62.300 0.173 0.000 0.850 397 V CB 1.364 33.194 31.823 0.011 0.000 0.992 397 V HN 0.718 nan 8.190 nan 0.000 0.426 398 D N 6.995 127.486 120.400 0.151 0.000 2.348 398 D HA 0.253 4.893 4.640 -0.000 0.000 0.253 398 D C -1.288 175.051 176.300 0.065 0.000 1.161 398 D CA -1.429 52.635 54.000 0.106 0.000 0.876 398 D CB 2.410 43.282 40.800 0.120 0.000 1.160 398 D HN 0.427 nan 8.370 nan 0.000 0.459 399 P HA -0.179 nan 4.420 nan 0.000 0.218 399 P C 1.719 179.025 177.300 0.010 0.000 1.146 399 P CA 0.853 63.965 63.100 0.019 0.000 0.820 399 P CB -0.296 31.407 31.700 0.006 0.000 0.778 400 C N -2.445 116.861 119.300 0.011 0.000 2.432 400 C HA 0.034 4.494 4.460 -0.000 0.000 0.282 400 C C 2.404 177.396 174.990 0.003 0.000 1.388 400 C CA 0.014 59.025 59.018 -0.011 0.000 1.777 400 C CB -2.238 25.495 27.740 -0.012 0.000 1.882 400 C HN 0.019 nan 8.230 nan 0.000 0.520 401 L N 1.739 122.990 121.223 0.047 0.000 2.313 401 L HA 0.301 4.641 4.340 -0.000 0.000 0.214 401 L C 2.120 179.023 176.870 0.056 0.000 1.119 401 L CA 1.733 56.617 54.840 0.073 0.000 0.809 401 L CB -1.526 40.592 42.059 0.099 0.000 0.933 401 L HN 0.774 nan 8.230 nan 0.000 0.449 402 G N -0.364 108.457 108.800 0.035 0.000 2.531 402 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.274 402 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.274 402 G C 0.508 175.432 174.900 0.041 0.000 1.159 402 G CA 0.276 45.399 45.100 0.038 0.000 0.969 402 G HN 0.221 nan 8.290 nan 0.000 0.554 403 D N 0.863 121.302 120.400 0.065 0.000 2.328 403 D HA 0.184 4.824 4.640 -0.000 0.000 0.221 403 D C 2.332 178.664 176.300 0.054 0.000 1.072 403 D CA -0.288 53.745 54.000 0.055 0.000 0.850 403 D CB 0.308 41.148 40.800 0.066 0.000 0.922 403 D HN 0.182 nan 8.370 nan 0.000 0.516 404 L N 1.179 122.448 121.223 0.077 0.000 2.012 404 L HA -0.161 4.178 4.340 -0.000 0.000 0.210 404 L C 1.854 178.715 176.870 -0.014 0.000 1.073 404 L CA 1.451 56.341 54.840 0.084 0.000 0.748 404 L CB -0.552 41.598 42.059 0.151 0.000 0.891 404 L HN 0.020 nan 8.230 nan 0.000 0.431 405 I N -1.230 119.296 120.570 -0.073 0.000 2.500 405 I HA -0.201 3.969 4.170 -0.000 0.000 0.252 405 I C 2.554 178.600 176.117 -0.118 0.000 1.142 405 I CA 0.697 61.893 61.300 -0.174 0.000 1.451 405 I CB -1.357 36.398 38.000 -0.407 0.000 1.093 405 I HN 0.232 nan 8.210 nan 0.000 0.430 406 L N 1.059 122.238 121.223 -0.074 0.000 2.046 406 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 406 L C 2.386 179.228 176.870 -0.046 0.000 1.077 406 L CA 1.815 56.628 54.840 -0.045 0.000 0.747 406 L CB -0.233 41.816 42.059 -0.015 0.000 0.896 406 L HN 0.048 nan 8.230 nan 0.000 0.432 407 I N -1.309 119.225 120.570 -0.059 0.000 2.277 407 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 407 I C 2.227 178.247 176.117 -0.162 0.000 1.094 407 I CA 0.937 62.179 61.300 -0.096 0.000 1.393 407 I CB -0.226 37.712 38.000 -0.103 0.000 1.078 407 I HN 0.187 nan 8.210 nan 0.000 0.417 408 L N 0.282 121.384 121.223 -0.201 0.000 2.187 408 L HA -0.190 4.150 4.340 -0.000 0.000 0.213 408 L C 2.624 179.410 176.870 -0.140 0.000 1.100 408 L CA 1.235 55.932 54.840 -0.239 0.000 0.765 408 L CB -0.549 41.362 42.059 -0.246 0.000 0.904 408 L HN 0.181 nan 8.230 nan 0.000 0.437 409 R N -0.145 120.297 120.500 -0.096 0.000 2.148 409 R HA 0.044 4.384 4.340 -0.000 0.000 0.223 409 R C 0.621 176.887 176.300 -0.057 0.000 1.088 409 R CA 0.170 56.232 56.100 -0.062 0.000 0.985 409 R CB -0.142 30.128 30.300 -0.051 0.000 0.880 409 R HN 0.273 nan 8.270 nan 0.000 0.451 410 L N 3.775 124.961 121.223 -0.063 0.000 2.513 410 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 410 L C -1.838 174.975 176.870 -0.095 0.000 1.187 410 L CA -1.490 53.323 54.840 -0.046 0.000 0.895 410 L CB 0.053 42.138 42.059 0.044 0.000 1.147 410 L HN -0.066 nan 8.230 nan 0.000 0.483 411 P HA 0.082 nan 4.420 nan 0.000 0.272 411 P C 0.269 177.417 177.300 -0.252 0.000 1.223 411 P CA -0.331 62.706 63.100 -0.105 0.000 0.784 411 P CB 0.918 32.657 31.700 0.066 0.000 0.923 412 S N 1.768 117.428 115.700 -0.066 0.000 2.353 412 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 412 S C 1.805 176.357 174.600 -0.080 0.000 1.035 412 S CA 1.428 59.598 58.200 -0.050 0.000 1.025 412 S CB -1.115 62.113 63.200 0.045 0.000 0.902 412 S HN 0.736 nan 8.310 nan 0.000 0.440 413 W N 1.315 122.648 121.300 0.055 0.000 2.313 413 W HA -0.213 4.447 4.660 -0.000 0.000 0.293 413 W C 1.811 178.404 176.519 0.124 0.000 1.216 413 W CA 0.875 58.261 57.345 0.068 0.000 1.223 413 W CB -1.211 28.287 29.460 0.063 0.000 1.138 413 W HN 0.277 nan 8.180 nan 0.000 0.535 414 F N 2.464 121.776 119.950 -1.063 0.000 2.094 414 F HA 0.012 4.539 4.527 -0.000 0.000 0.291 414 F C 2.645 178.189 175.800 -0.427 0.000 1.109 414 F CA 2.042 59.461 58.000 -0.968 0.000 1.221 414 F CB -0.918 37.270 39.000 -1.354 0.000 1.014 414 F HN -0.283 nan 8.300 nan 0.000 0.473 415 K N 0.171 120.289 120.400 -0.470 0.000 2.071 415 K HA -0.340 3.980 4.320 -0.000 0.000 0.217 415 K C 2.463 178.896 176.600 -0.279 0.000 1.054 415 K CA 3.109 59.164 56.287 -0.387 0.000 0.937 415 K CB -0.516 31.825 32.500 -0.265 0.000 0.719 415 K HN 0.301 nan 8.250 nan 0.000 0.454 416 R N 0.749 121.150 120.500 -0.165 0.000 2.081 416 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 416 R C 2.200 178.458 176.300 -0.070 0.000 1.131 416 R CA 1.916 57.970 56.100 -0.076 0.000 0.960 416 R CB -1.425 28.879 30.300 0.005 0.000 0.856 416 R HN 0.326 nan 8.270 nan 0.000 0.436 417 L N 0.107 121.290 121.223 -0.066 0.000 2.027 417 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 417 L C 2.592 179.393 176.870 -0.115 0.000 1.074 417 L CA 1.570 56.395 54.840 -0.025 0.000 0.745 417 L CB -0.241 41.881 42.059 0.105 0.000 0.898 417 L HN 0.406 nan 8.230 nan 0.000 0.433 418 L N -0.868 120.181 121.223 -0.290 0.000 2.043 418 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 418 L C 2.807 179.576 176.870 -0.169 0.000 1.075 418 L CA 1.677 56.338 54.840 -0.298 0.000 0.752 418 L CB -0.768 40.985 42.059 -0.511 0.000 0.891 418 L HN 0.505 nan 8.230 nan 0.000 0.432 419 S N 0.626 116.233 115.700 -0.155 0.000 2.359 419 S HA -0.171 4.299 4.470 -0.000 0.000 0.222 419 S C 1.853 176.424 174.600 -0.048 0.000 1.038 419 S CA 1.717 59.864 58.200 -0.089 0.000 1.051 419 S CB -0.304 62.849 63.200 -0.080 0.000 0.944 419 S HN 0.402 nan 8.310 nan 0.000 0.433 420 L N -0.056 121.143 121.223 -0.039 0.000 2.552 420 L HA 0.265 4.604 4.340 -0.000 0.000 0.227 420 L C 2.252 179.110 176.870 -0.021 0.000 1.146 420 L CA 0.873 55.701 54.840 -0.019 0.000 0.858 420 L CB -1.633 40.422 42.059 -0.006 0.000 0.969 420 L HN 0.321 nan 8.230 nan 0.000 0.451 421 L N -0.064 121.139 121.223 -0.033 0.000 2.095 421 L HA -0.073 4.267 4.340 -0.000 0.000 0.204 421 L C 2.387 179.236 176.870 -0.036 0.000 1.080 421 L CA 0.819 55.640 54.840 -0.031 0.000 0.759 421 L CB -0.129 41.910 42.059 -0.033 0.000 0.914 421 L HN 0.158 nan 8.230 nan 0.000 0.439 422 L N 0.090 121.293 121.223 -0.033 0.000 2.217 422 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 422 L C 2.869 179.734 176.870 -0.008 0.000 1.107 422 L CA 1.923 56.759 54.840 -0.007 0.000 0.783 422 L CB -1.397 40.678 42.059 0.025 0.000 0.919 422 L HN 0.215 nan 8.230 nan 0.000 0.442 423 K N 0.892 121.287 120.400 -0.009 0.000 2.059 423 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 423 K C 0.051 176.648 176.600 -0.005 0.000 1.050 423 K CA 2.068 58.358 56.287 0.006 0.000 0.927 423 K CB -2.611 29.894 32.500 0.008 0.000 0.714 423 K HN 0.478 nan 8.250 nan 0.000 0.447 424 P HA -0.073 nan 4.420 nan 0.000 0.219 424 P C 0.949 178.189 177.300 -0.100 0.000 1.150 424 P CA 0.750 63.818 63.100 -0.053 0.000 0.814 424 P CB 0.154 31.817 31.700 -0.061 0.000 0.787 425 L N -1.949 119.160 121.223 -0.189 0.000 2.262 425 L HA 0.208 4.548 4.340 -0.000 0.000 0.197 425 L C 1.417 178.068 176.870 -0.366 0.000 1.073 425 L CA 1.024 55.617 54.840 -0.412 0.000 0.800 425 L CB -1.346 40.289 42.059 -0.706 0.000 0.987 425 L HN -0.118 nan 8.230 nan 0.000 0.470 426 F N 1.457 121.390 119.950 -0.028 0.000 2.449 426 F HA 0.276 4.803 4.527 -0.000 0.000 0.329 426 F C -1.432 174.328 175.800 -0.067 0.000 1.245 426 F CA -1.415 56.550 58.000 -0.057 0.000 1.193 426 F CB 1.122 40.054 39.000 -0.114 0.000 1.425 426 F HN -0.013 nan 8.300 nan 0.000 0.544 427 P HA -0.083 nan 4.420 nan 0.000 0.222 427 P C 1.436 178.756 177.300 0.032 0.000 1.153 427 P CA 1.032 64.192 63.100 0.101 0.000 0.798 427 P CB 0.239 32.032 31.700 0.156 0.000 0.796 428 R N -0.651 119.794 120.500 -0.091 0.000 2.073 428 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 428 R C 2.242 178.467 176.300 -0.126 0.000 1.134 428 R CA 1.078 57.064 56.100 -0.189 0.000 0.952 428 R CB -0.980 29.026 30.300 -0.491 0.000 0.850 428 R HN 0.174 nan 8.270 nan 0.000 0.433 429 L N 0.363 121.422 121.223 -0.274 0.000 2.141 429 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 429 L C 2.423 179.281 176.870 -0.020 0.000 1.094 429 L CA 1.537 56.204 54.840 -0.289 0.000 0.763 429 L CB -0.778 41.031 42.059 -0.417 0.000 0.908 429 L HN 0.145 nan 8.230 nan 0.000 0.437 430 A N -0.544 122.277 122.820 0.001 0.000 1.858 430 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 430 A C 2.454 180.067 177.584 0.047 0.000 1.190 430 A CA 1.845 53.893 52.037 0.018 0.000 0.617 430 A CB -0.922 18.092 19.000 0.023 0.000 0.827 430 A HN 0.369 nan 8.150 nan 0.000 0.443 431 A N -1.779 121.094 122.820 0.087 0.000 2.014 431 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 431 A C 2.031 179.726 177.584 0.186 0.000 1.163 431 A CA 1.169 53.273 52.037 0.112 0.000 0.652 431 A CB -0.672 18.399 19.000 0.117 0.000 0.808 431 A HN 0.643 nan 8.150 nan 0.000 0.449 432 F N 0.289 120.279 119.950 0.066 0.000 2.134 432 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 432 F C 1.762 177.599 175.800 0.062 0.000 1.097 432 F CA 1.511 59.589 58.000 0.129 0.000 1.264 432 F CB 0.024 39.164 39.000 0.234 0.000 1.001 432 F HN 0.161 nan 8.300 nan 0.000 0.479 433 L N -0.299 120.882 121.223 -0.069 0.000 2.270 433 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 433 L C 2.061 178.836 176.870 -0.159 0.000 1.104 433 L CA 0.593 55.299 54.840 -0.223 0.000 0.804 433 L CB -0.719 41.227 42.059 -0.189 0.000 0.937 433 L HN 0.192 nan 8.230 nan 0.000 0.450 434 N N -0.076 118.581 118.700 -0.071 0.000 2.512 434 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 434 N C 1.917 177.408 175.510 -0.032 0.000 1.073 434 N CA 1.216 54.239 53.050 -0.045 0.000 0.911 434 N CB 0.332 38.813 38.487 -0.010 0.000 0.964 434 N HN 0.353 nan 8.380 nan 0.000 0.447 435 S N 0.221 115.907 115.700 -0.024 0.000 2.439 435 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 435 S C 1.845 176.450 174.600 0.009 0.000 1.029 435 S CA 0.034 58.245 58.200 0.018 0.000 0.946 435 S CB -0.235 63.016 63.200 0.086 0.000 0.797 435 S HN 0.335 nan 8.310 nan 0.000 0.504 436 M N 1.802 121.332 119.600 -0.117 0.000 2.633 436 M HA 0.275 4.755 4.480 -0.000 0.000 0.226 436 M C 0.868 177.069 176.300 -0.164 0.000 1.137 436 M CA -0.044 55.121 55.300 -0.225 0.000 1.020 436 M CB -0.541 31.736 32.600 -0.539 0.000 1.675 436 M HN 0.132 nan 8.290 nan 0.000 0.500 437 R N 2.867 123.307 120.500 -0.099 0.000 2.442 437 R HA 0.346 4.686 4.340 -0.000 0.000 0.291 437 R C -2.969 173.310 176.300 -0.034 0.000 1.069 437 R CA -1.278 54.782 56.100 -0.068 0.000 1.022 437 R CB -0.064 30.207 30.300 -0.050 0.000 0.976 437 R HN 0.012 nan 8.270 nan 0.000 0.443 438 P HA 0.207 nan 4.420 nan 0.000 0.271 438 P C -0.732 176.565 177.300 -0.005 0.000 1.218 438 P CA -0.035 63.059 63.100 -0.009 0.000 0.780 438 P CB 0.587 32.284 31.700 -0.006 0.000 0.901 439 R N 0.583 121.081 120.500 -0.004 0.000 2.837 439 R HA 0.557 4.897 4.340 -0.000 0.000 0.271 439 R C -0.072 176.210 176.300 -0.030 0.000 0.993 439 R CA -0.734 55.360 56.100 -0.011 0.000 0.931 439 R CB 1.871 32.170 30.300 -0.002 0.000 1.206 439 R HN 0.530 nan 8.270 nan 0.000 0.474 440 S N 0.130 115.800 115.700 -0.050 0.000 2.669 440 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 440 S C 1.108 175.615 174.600 -0.156 0.000 1.225 440 S CA -0.316 57.827 58.200 -0.095 0.000 0.991 440 S CB 1.582 64.721 63.200 -0.102 0.000 0.987 440 S HN 0.740 nan 8.310 nan 0.000 0.552 441 A N 0.369 123.039 122.820 -0.250 0.000 1.902 441 A HA -0.134 4.185 4.320 -0.000 0.000 0.217 441 A C 2.099 179.250 177.584 -0.723 0.000 1.181 441 A CA 1.837 53.590 52.037 -0.474 0.000 0.623 441 A CB -1.274 17.400 19.000 -0.544 0.000 0.818 441 A HN 1.021 nan 8.150 nan 0.000 0.443 442 E N -0.365 119.519 120.200 -0.527 0.000 2.049 442 E HA -0.290 4.060 4.350 -0.000 0.000 0.198 442 E C 1.898 178.438 176.600 -0.100 0.000 1.007 442 E CA 1.857 58.071 56.400 -0.309 0.000 0.809 442 E CB -0.106 29.491 29.700 -0.172 0.000 0.749 442 E HN 0.427 nan 8.360 nan 0.000 0.450 443 K N 0.267 120.618 120.400 -0.083 0.000 2.217 443 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 443 K C 1.946 178.563 176.600 0.027 0.000 1.051 443 K CA 0.488 56.770 56.287 -0.008 0.000 0.952 443 K CB -0.154 32.338 32.500 -0.014 0.000 0.736 443 K HN 0.188 nan 8.250 nan 0.000 0.453 444 L N -0.739 120.484 121.223 0.000 0.000 2.005 444 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 444 L C 1.608 178.605 176.870 0.211 0.000 1.072 444 L CA 1.319 56.201 54.840 0.071 0.000 0.744 444 L CB -0.294 41.793 42.059 0.046 0.000 0.895 444 L HN 0.353 nan 8.230 nan 0.000 0.433 445 W N 0.751 122.070 121.300 0.032 0.000 2.321 445 W HA -0.285 4.375 4.660 -0.000 0.000 0.306 445 W C 2.916 179.473 176.519 0.063 0.000 1.217 445 W CA 2.208 59.576 57.345 0.038 0.000 1.257 445 W CB -1.360 28.113 29.460 0.022 0.000 1.145 445 W HN 0.171 nan 8.180 nan 0.000 0.509 446 K N 0.261 120.839 120.400 0.296 0.000 2.063 446 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 446 K C 1.962 178.680 176.600 0.197 0.000 1.048 446 K CA 1.875 58.295 56.287 0.222 0.000 0.928 446 K CB -1.232 31.362 32.500 0.156 0.000 0.713 446 K HN 0.253 nan 8.250 nan 0.000 0.442 447 L N 0.409 121.720 121.223 0.146 0.000 2.109 447 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 447 L C 2.717 179.633 176.870 0.077 0.000 1.086 447 L CA 1.994 56.883 54.840 0.082 0.000 0.760 447 L CB -0.186 41.898 42.059 0.041 0.000 0.910 447 L HN 0.559 nan 8.230 nan 0.000 0.437 448 Q N -1.647 118.229 119.800 0.126 0.000 2.119 448 Q HA -0.262 4.078 4.340 -0.000 0.000 0.201 448 Q C 2.163 178.240 176.000 0.130 0.000 0.972 448 Q CA 1.660 57.530 55.803 0.112 0.000 0.847 448 Q CB -0.101 28.720 28.738 0.138 0.000 0.903 448 Q HN 0.651 nan 8.270 nan 0.000 0.433 449 H N 0.601 119.710 119.070 0.064 0.000 2.293 449 H HA -0.071 4.484 4.556 -0.000 0.000 0.300 449 H C 1.525 176.896 175.328 0.071 0.000 1.082 449 H CA 2.050 58.132 56.048 0.057 0.000 1.308 449 H CB 0.096 29.896 29.762 0.064 0.000 1.375 449 H HN 0.279 nan 8.280 nan 0.000 0.495 450 E N -0.491 119.729 120.200 0.033 0.000 2.219 450 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 450 E C 2.269 178.867 176.600 -0.003 0.000 0.998 450 E CA 1.267 57.673 56.400 0.011 0.000 0.818 450 E CB -0.048 29.710 29.700 0.096 0.000 0.741 450 E HN 0.527 nan 8.360 nan 0.000 0.477 451 I N 0.956 121.513 120.570 -0.022 0.000 2.235 451 I HA -0.232 3.938 4.170 -0.000 0.000 0.241 451 I C 2.563 178.698 176.117 0.030 0.000 1.085 451 I CA 1.160 62.450 61.300 -0.017 0.000 1.378 451 I CB -0.142 37.825 38.000 -0.055 0.000 1.076 451 I HN 0.088 nan 8.210 nan 0.000 0.415 452 E N 0.905 121.110 120.200 0.009 0.000 2.153 452 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 452 E C 2.251 178.842 176.600 -0.016 0.000 0.988 452 E CA 1.231 57.639 56.400 0.014 0.000 0.811 452 E CB -0.368 29.358 29.700 0.042 0.000 0.746 452 E HN 0.448 nan 8.360 nan 0.000 0.466 453 M N -0.232 119.312 119.600 -0.094 0.000 2.319 453 M HA -0.081 4.399 4.480 -0.000 0.000 0.265 453 M C 1.843 178.146 176.300 0.004 0.000 1.068 453 M CA 1.211 56.443 55.300 -0.113 0.000 1.118 453 M CB -0.024 32.397 32.600 -0.299 0.000 1.395 453 M HN 0.281 nan 8.290 nan 0.000 0.435 454 Y N 0.307 120.569 120.300 -0.062 0.000 2.176 454 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 454 Y C 2.365 178.246 175.900 -0.032 0.000 1.122 454 Y CA 1.623 59.706 58.100 -0.028 0.000 1.128 454 Y CB -0.292 38.132 38.460 -0.060 0.000 1.005 454 Y HN 0.063 nan 8.280 nan 0.000 0.509 455 R N -0.045 120.367 120.500 -0.146 0.000 2.259 455 R HA -0.350 3.990 4.340 -0.000 0.000 0.247 455 R C 2.287 178.535 176.300 -0.087 0.000 1.114 455 R CA 2.587 58.612 56.100 -0.125 0.000 0.926 455 R CB -0.469 29.838 30.300 0.011 0.000 0.937 455 R HN 0.418 nan 8.270 nan 0.000 0.434 456 Q N -0.436 119.335 119.800 -0.048 0.000 2.167 456 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 456 Q C 2.167 178.149 176.000 -0.030 0.000 0.970 456 Q CA 1.820 57.612 55.803 -0.018 0.000 0.855 456 Q CB -0.198 28.537 28.738 -0.005 0.000 0.911 456 Q HN 0.469 nan 8.270 nan 0.000 0.438 457 S N -0.568 115.084 115.700 -0.081 0.000 2.368 457 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 457 S C 1.955 176.516 174.600 -0.065 0.000 1.029 457 S CA 1.408 59.563 58.200 -0.075 0.000 0.988 457 S CB -0.242 62.904 63.200 -0.090 0.000 0.838 457 S HN 0.143 nan 8.310 nan 0.000 0.462 458 V N 1.037 120.849 119.914 -0.169 0.000 2.951 458 V HA 0.155 4.275 4.120 -0.000 0.000 0.255 458 V C 2.329 178.550 176.094 0.212 0.000 1.088 458 V CA 0.944 63.239 62.300 -0.008 0.000 1.109 458 V CB -0.715 30.970 31.823 -0.230 0.000 0.724 458 V HN 0.414 nan 8.190 nan 0.000 0.471 459 I N 0.733 121.379 120.570 0.127 0.000 2.361 459 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 459 I C 2.508 178.690 176.117 0.108 0.000 1.133 459 I CA 1.536 62.881 61.300 0.076 0.000 1.413 459 I CB -0.223 37.777 38.000 0.001 0.000 1.073 459 I HN 0.277 nan 8.210 nan 0.000 0.424 460 A N -0.673 122.206 122.820 0.099 0.000 1.854 460 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 460 A C 2.217 179.885 177.584 0.139 0.000 1.192 460 A CA 1.171 53.264 52.037 0.094 0.000 0.611 460 A CB -0.670 18.365 19.000 0.059 0.000 0.832 460 A HN 0.390 nan 8.150 nan 0.000 0.442 461 Q N -1.342 118.569 119.800 0.186 0.000 2.103 461 Q HA -0.275 4.065 4.340 -0.000 0.000 0.213 461 Q C 2.022 178.148 176.000 0.211 0.000 1.008 461 Q CA 2.171 58.142 55.803 0.280 0.000 0.879 461 Q CB -0.369 28.638 28.738 0.449 0.000 0.946 461 Q HN 0.898 nan 8.270 nan 0.000 0.413 462 W N 1.222 122.478 121.300 -0.073 0.000 2.321 462 W HA -0.233 4.427 4.660 -0.000 0.000 0.306 462 W C 1.441 177.826 176.519 -0.223 0.000 1.217 462 W CA 1.369 58.518 57.345 -0.327 0.000 1.257 462 W CB 0.002 29.361 29.460 -0.168 0.000 1.145 462 W HN 0.108 nan 8.180 nan 0.000 0.509 463 K N -0.282 120.235 120.400 0.195 0.000 2.262 463 K HA 0.026 4.346 4.320 -0.000 0.000 0.200 463 K C 2.176 178.788 176.600 0.020 0.000 1.049 463 K CA 0.954 57.305 56.287 0.108 0.000 0.979 463 K CB -0.671 31.898 32.500 0.115 0.000 0.773 463 K HN 0.085 nan 8.250 nan 0.000 0.474 464 A N 1.468 124.305 122.820 0.029 0.000 1.883 464 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 464 A C 2.166 179.734 177.584 -0.026 0.000 1.186 464 A CA 1.700 53.746 52.037 0.014 0.000 0.624 464 A CB -0.385 18.643 19.000 0.046 0.000 0.822 464 A HN 0.214 nan 8.150 nan 0.000 0.444 465 M N -1.812 117.742 119.600 -0.077 0.000 2.558 465 M HA 0.077 4.557 4.480 -0.000 0.000 0.255 465 M C 0.486 176.668 176.300 -0.196 0.000 1.113 465 M CA 0.568 55.786 55.300 -0.137 0.000 1.097 465 M CB -0.228 32.255 32.600 -0.195 0.000 1.426 465 M HN 0.575 nan 8.290 nan 0.000 0.488 466 N N 0.899 119.482 118.700 -0.195 0.000 2.727 466 N HA -0.154 4.586 4.740 -0.000 0.000 0.251 466 N C -1.229 174.103 175.510 -0.296 0.000 1.040 466 N CA -0.077 52.867 53.050 -0.177 0.000 0.712 466 N CB -0.811 37.618 38.487 -0.095 0.000 0.912 466 N HN 0.323 nan 8.380 nan 0.000 0.545 467 L N -0.695 120.178 121.223 -0.582 0.000 2.436 467 L HA 0.202 4.542 4.340 -0.000 0.000 0.265 467 L C 1.402 177.938 176.870 -0.557 0.000 1.168 467 L CA -0.421 53.953 54.840 -0.776 0.000 0.815 467 L CB 0.502 41.709 42.059 -1.420 0.000 1.109 467 L HN 0.209 nan 8.230 nan 0.000 0.462 468 D N 0.080 120.250 120.400 -0.383 0.000 2.327 468 D HA 0.184 4.824 4.640 -0.000 0.000 0.205 468 D C -0.159 176.140 176.300 -0.001 0.000 0.989 468 D CA 0.777 54.698 54.000 -0.130 0.000 0.873 468 D CB 1.281 41.991 40.800 -0.150 0.000 0.955 468 D HN 0.196 nan 8.370 nan 0.000 0.515 469 V N 0.328 120.093 119.914 -0.248 0.000 3.121 469 V HA 0.211 4.331 4.120 -0.000 0.000 0.263 469 V C -1.984 173.857 176.094 -0.421 0.000 1.795 469 V CA -0.821 61.368 62.300 -0.186 0.000 0.979 469 V CB 2.473 34.032 31.823 -0.440 0.000 1.335 469 V HN -0.093 nan 8.190 nan 0.000 0.462 470 L N 3.554 124.707 121.223 -0.118 0.000 2.388 470 L HA 0.911 5.251 4.340 -0.000 0.000 0.264 470 L C -1.258 175.704 176.870 0.154 0.000 0.998 470 L CA -0.408 54.433 54.840 0.003 0.000 0.817 470 L CB 1.833 44.071 42.059 0.298 0.000 1.338 470 L HN 0.713 nan 8.230 nan 0.000 0.414 471 L N 2.395 123.718 121.223 0.166 0.000 2.410 471 L HA 0.841 5.181 4.340 -0.000 0.000 0.270 471 L C -1.119 175.730 176.870 -0.035 0.000 0.983 471 L CA 0.403 55.357 54.840 0.190 0.000 0.822 471 L CB 2.271 44.509 42.059 0.299 0.000 1.285 471 L HN 0.636 nan 8.230 nan 0.000 0.409 472 T N 5.218 119.700 114.554 -0.121 0.000 2.933 472 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 472 T C -2.934 171.634 174.700 -0.220 0.000 1.092 472 T CA -0.978 60.931 62.100 -0.318 0.000 1.008 472 T CB 2.190 70.973 68.868 -0.142 0.000 1.102 472 T HN 0.424 nan 8.240 nan 0.000 0.469 473 P HA 0.298 nan 4.420 nan 0.000 0.271 473 P C -0.754 176.328 177.300 -0.364 0.000 1.220 473 P CA -0.600 62.319 63.100 -0.303 0.000 0.768 473 P CB 0.430 31.909 31.700 -0.370 0.000 0.848 474 M N 4.300 123.770 119.600 -0.217 0.000 2.318 474 M HA 0.242 4.722 4.480 -0.000 0.000 0.347 474 M C -0.439 175.819 176.300 -0.071 0.000 1.175 474 M CA -1.557 53.658 55.300 -0.143 0.000 1.075 474 M CB 0.335 32.884 32.600 -0.084 0.000 1.614 474 M HN 0.211 nan 8.290 nan 0.000 0.456 475 L N 4.861 126.123 121.223 0.065 0.000 2.667 475 L HA -0.003 4.337 4.340 -0.000 0.000 0.278 475 L C 1.013 178.091 176.870 0.346 0.000 1.217 475 L CA 0.807 55.814 54.840 0.277 0.000 0.935 475 L CB -0.461 41.916 42.059 0.531 0.000 1.193 475 L HN 1.047 nan 8.230 nan 0.000 0.493 476 G N 7.307 116.218 108.800 0.185 0.000 2.474 476 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.157 476 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.157 476 G C -2.159 172.738 174.900 -0.005 0.000 1.720 476 G CA -0.073 45.061 45.100 0.058 0.000 0.931 476 G HN 0.613 nan 8.290 nan 0.000 0.376 477 P HA 0.366 nan 4.420 nan 0.000 0.274 477 P C -0.297 176.734 177.300 -0.449 0.000 1.246 477 P CA -0.099 62.872 63.100 -0.214 0.000 0.795 477 P CB 0.694 32.286 31.700 -0.179 0.000 1.006 478 A N 1.902 124.360 122.820 -0.602 0.000 2.531 478 A HA 0.170 4.490 4.320 -0.000 0.000 0.236 478 A C 0.288 177.445 177.584 -0.712 0.000 1.062 478 A CA 0.052 51.451 52.037 -1.064 0.000 0.760 478 A CB -0.749 17.899 19.000 -0.585 0.000 0.995 478 A HN 0.462 nan 8.150 nan 0.000 0.501 479 L N 1.817 122.577 121.223 -0.772 0.000 2.466 479 L HA 0.192 4.532 4.340 -0.000 0.000 0.257 479 L C 1.344 178.081 176.870 -0.221 0.000 1.189 479 L CA 0.254 54.901 54.840 -0.322 0.000 0.813 479 L CB 0.174 42.137 42.059 -0.159 0.000 1.118 479 L HN 0.810 nan 8.230 nan 0.000 0.471 480 D N -0.326 119.984 120.400 -0.150 0.000 1.794 480 D HA -0.049 4.591 4.640 -0.000 0.000 0.292 480 D C 0.934 177.178 176.300 -0.093 0.000 1.061 480 D CA 0.579 54.515 54.000 -0.107 0.000 0.940 480 D CB 0.274 41.024 40.800 -0.083 0.000 1.238 480 D HN 0.232 nan 8.370 nan 0.000 0.432 481 L N -0.418 120.758 121.223 -0.077 0.000 2.766 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.241 481 L C 0.477 177.306 176.870 -0.068 0.000 1.080 481 L CA 0.670 55.472 54.840 -0.063 0.000 0.909 481 L CB 0.104 42.139 42.059 -0.041 0.000 1.277 481 L HN 0.160 nan 8.230 nan 0.000 0.510 482 N N -1.192 117.463 118.700 -0.074 0.000 2.451 482 N HA 0.112 4.852 4.740 -0.000 0.000 0.271 482 N C 0.720 176.172 175.510 -0.097 0.000 1.410 482 N CA 0.810 53.814 53.050 -0.077 0.000 0.884 482 N CB 1.006 39.466 38.487 -0.045 0.000 1.332 482 N HN 0.247 nan 8.380 nan 0.000 0.498 483 T N -2.316 112.158 114.554 -0.133 0.000 3.031 483 T HA 0.113 4.463 4.350 -0.000 0.000 0.254 483 T C -1.116 173.444 174.700 -0.232 0.000 1.060 483 T CA 0.413 62.431 62.100 -0.138 0.000 1.135 483 T CB -0.884 67.916 68.868 -0.114 0.000 0.896 483 T HN -0.042 nan 8.240 nan 0.000 0.472 484 P HA 0.029 nan 4.420 nan 0.000 0.221 484 P C 1.868 178.890 177.300 -0.463 0.000 1.145 484 P CA 1.157 63.716 63.100 -0.902 0.000 0.795 484 P CB -0.634 30.120 31.700 -1.576 0.000 0.775 485 G N 0.839 109.490 108.800 -0.248 0.000 2.446 485 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 485 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 485 G C 1.222 176.100 174.900 -0.037 0.000 1.168 485 G CA 0.437 45.484 45.100 -0.089 0.000 0.771 485 G HN 0.312 nan 8.290 nan 0.000 0.551 486 R N 0.347 120.826 120.500 -0.035 0.000 2.515 486 R HA 0.487 4.827 4.340 -0.000 0.000 0.294 486 R C 1.118 177.427 176.300 0.016 0.000 1.021 486 R CA 0.449 56.588 56.100 0.064 0.000 1.081 486 R CB 0.509 30.862 30.300 0.089 0.000 1.263 486 R HN 0.297 nan 8.270 nan 0.000 0.557 487 A N 0.214 122.931 122.820 -0.172 0.000 2.469 487 A HA 0.116 4.436 4.320 -0.000 0.000 0.245 487 A C 1.589 178.787 177.584 -0.643 0.000 1.221 487 A CA -0.083 51.812 52.037 -0.237 0.000 0.946 487 A CB 0.187 19.202 19.000 0.025 0.000 1.049 487 A HN 0.091 nan 8.150 nan 0.000 0.529 488 T N 0.534 114.541 114.554 -0.913 0.000 2.777 488 T HA -0.316 4.034 4.350 -0.000 0.000 0.259 488 T C 1.853 175.928 174.700 -1.042 0.000 1.034 488 T CA 2.445 63.963 62.100 -0.970 0.000 1.161 488 T CB -0.534 67.684 68.868 -1.082 0.000 0.843 488 T HN 0.701 nan 8.240 nan 0.000 0.477 489 G N 0.193 108.068 108.800 -1.542 0.000 2.501 489 G HA2 0.018 3.978 3.960 -0.000 0.000 0.220 489 G HA3 0.018 3.978 3.960 -0.000 0.000 0.220 489 G C 1.517 176.290 174.900 -0.211 0.000 1.114 489 G CA 0.890 45.610 45.100 -0.634 0.000 0.757 489 G HN 0.689 nan 8.290 nan 0.000 0.559 490 A N 0.864 123.555 122.820 -0.215 0.000 2.208 490 A HA 0.241 4.561 4.320 -0.000 0.000 0.209 490 A C 2.136 179.706 177.584 -0.025 0.000 1.161 490 A CA 0.739 52.772 52.037 -0.006 0.000 0.782 490 A CB -0.346 18.707 19.000 0.088 0.000 0.816 490 A HN 0.734 nan 8.150 nan 0.000 0.477 491 I N -1.668 118.795 120.570 -0.178 0.000 3.564 491 I HA -0.055 4.115 4.170 -0.000 0.000 0.294 491 I C 1.902 178.003 176.117 -0.026 0.000 1.289 491 I CA 0.955 62.222 61.300 -0.055 0.000 1.325 491 I CB -0.507 37.389 38.000 -0.175 0.000 1.039 491 I HN 0.248 nan 8.210 nan 0.000 0.474 492 S N 2.040 117.716 115.700 -0.041 0.000 2.414 492 S HA -0.343 4.127 4.470 -0.000 0.000 0.225 492 S C 1.839 176.371 174.600 -0.113 0.000 1.041 492 S CA 1.773 59.896 58.200 -0.129 0.000 1.114 492 S CB -1.498 61.622 63.200 -0.134 0.000 1.064 492 S HN 0.582 nan 8.310 nan 0.000 0.420 493 Y N 3.202 123.552 120.300 0.083 0.000 2.170 493 Y HA -0.275 4.275 4.550 -0.000 0.000 0.274 493 Y C 3.256 179.231 175.900 0.125 0.000 1.253 493 Y CA 1.789 59.979 58.100 0.150 0.000 1.133 493 Y CB -1.756 36.798 38.460 0.157 0.000 0.941 493 Y HN 0.733 nan 8.280 nan 0.000 0.518 494 T N -4.385 110.229 114.554 0.100 0.000 2.983 494 T HA -0.018 4.332 4.350 -0.000 0.000 0.250 494 T C 1.932 176.616 174.700 -0.026 0.000 1.037 494 T CA 0.773 62.857 62.100 -0.027 0.000 1.142 494 T CB -0.883 67.752 68.868 -0.388 0.000 0.876 494 T HN 0.170 nan 8.240 nan 0.000 0.455 495 V N 1.395 121.248 119.914 -0.101 0.000 2.626 495 V HA 0.046 4.165 4.120 -0.000 0.000 0.252 495 V C 2.398 178.364 176.094 -0.213 0.000 1.067 495 V CA 1.178 63.392 62.300 -0.143 0.000 1.081 495 V CB -0.614 31.117 31.823 -0.152 0.000 0.686 495 V HN 0.486 nan 8.190 nan 0.000 0.468 496 L N -0.238 120.801 121.223 -0.307 0.000 2.189 496 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 496 L C 1.847 178.331 176.870 -0.643 0.000 1.097 496 L CA 2.261 56.780 54.840 -0.535 0.000 0.764 496 L CB -0.622 41.007 42.059 -0.717 0.000 0.900 496 L HN 0.517 nan 8.230 nan 0.000 0.436 497 Y N -1.750 118.478 120.300 -0.119 0.000 2.458 497 Y HA 0.166 4.716 4.550 -0.000 0.000 0.254 497 Y C 2.231 178.063 175.900 -0.114 0.000 1.120 497 Y CA 0.024 58.049 58.100 -0.126 0.000 1.282 497 Y CB -0.449 38.001 38.460 -0.018 0.000 1.109 497 Y HN 0.238 nan 8.280 nan 0.000 0.526 498 N N -0.742 117.939 118.700 -0.032 0.000 2.216 498 N HA -0.174 4.566 4.740 -0.000 0.000 0.183 498 N C 1.882 177.323 175.510 -0.115 0.000 1.017 498 N CA 1.331 54.339 53.050 -0.069 0.000 0.861 498 N CB -0.427 38.009 38.487 -0.085 0.000 0.986 498 N HN 0.353 nan 8.380 nan 0.000 0.428 499 C N 1.350 120.543 119.300 -0.177 0.000 2.508 499 C HA 0.072 4.532 4.460 -0.000 0.000 0.280 499 C C 2.658 177.542 174.990 -0.175 0.000 1.262 499 C CA 0.238 59.139 59.018 -0.197 0.000 1.706 499 C CB -1.112 26.466 27.740 -0.270 0.000 2.078 499 C HN 0.325 nan 8.230 nan 0.000 0.480 500 L N 0.600 121.662 121.223 -0.268 0.000 2.362 500 L HA -0.010 4.330 4.340 -0.000 0.000 0.219 500 L C 0.801 177.545 176.870 -0.210 0.000 1.134 500 L CA 1.399 55.998 54.840 -0.402 0.000 0.807 500 L CB -0.777 40.659 42.059 -1.038 0.000 0.927 500 L HN 0.425 nan 8.230 nan 0.000 0.447 501 D N 0.017 120.362 120.400 -0.091 0.000 2.904 501 D HA -0.250 4.390 4.640 -0.000 0.000 0.231 501 D C -0.548 175.884 176.300 0.220 0.000 1.185 501 D CA 0.663 54.670 54.000 0.011 0.000 0.783 501 D CB -0.932 39.837 40.800 -0.051 0.000 0.961 501 D HN 0.171 nan 8.370 nan 0.000 0.409 502 F N 0.112 120.016 119.950 -0.076 0.000 2.508 502 F HA 0.427 4.954 4.527 -0.000 0.000 0.325 502 F C -1.541 174.200 175.800 -0.097 0.000 1.090 502 F CA -2.843 55.090 58.000 -0.111 0.000 0.945 502 F CB 2.009 41.007 39.000 -0.004 0.000 1.156 502 F HN -0.145 nan 8.300 nan 0.000 0.463 503 P HA -0.015 nan 4.420 nan 0.000 0.256 503 P C -1.107 176.205 177.300 0.020 0.000 1.173 503 P CA 0.417 63.513 63.100 -0.007 0.000 0.768 503 P CB 0.284 31.956 31.700 -0.046 0.000 0.758 504 A N 3.603 126.427 122.820 0.007 0.000 2.414 504 A HA 0.852 5.172 4.320 -0.000 0.000 0.306 504 A C -0.161 177.407 177.584 -0.027 0.000 1.054 504 A CA -0.412 51.604 52.037 -0.035 0.000 0.724 504 A CB 1.939 20.895 19.000 -0.074 0.000 1.267 504 A HN 0.518 nan 8.150 nan 0.000 0.418 505 G N -0.578 108.203 108.800 -0.032 0.000 2.696 505 G HA2 0.598 4.558 3.960 -0.000 0.000 0.295 505 G HA3 0.598 4.558 3.960 -0.000 0.000 0.295 505 G C -1.923 172.947 174.900 -0.051 0.000 1.398 505 G CA -0.463 44.619 45.100 -0.029 0.000 0.920 505 G HN 1.066 nan 8.290 nan 0.000 0.492 506 V N 0.548 120.429 119.914 -0.054 0.000 2.588 506 V HA 0.741 4.861 4.120 -0.000 0.000 0.304 506 V C -0.804 175.255 176.094 -0.058 0.000 1.042 506 V CA -0.756 61.504 62.300 -0.066 0.000 0.877 506 V CB 1.766 33.543 31.823 -0.076 0.000 0.996 506 V HN 0.880 nan 8.190 nan 0.000 0.425 507 V N 8.121 127.992 119.914 -0.073 0.000 2.623 507 V HA 0.724 4.844 4.120 -0.000 0.000 0.304 507 V C -2.591 173.463 176.094 -0.067 0.000 1.054 507 V CA -2.131 60.127 62.300 -0.069 0.000 0.882 507 V CB 3.031 34.794 31.823 -0.100 0.000 1.002 507 V HN 0.789 nan 8.190 nan 0.000 0.424 508 P HA 0.280 nan 4.420 nan 0.000 0.281 508 P C 0.282 177.548 177.300 -0.057 0.000 1.252 508 P CA 0.137 63.204 63.100 -0.056 0.000 0.778 508 P CB 1.573 33.245 31.700 -0.047 0.000 0.895 509 V N 0.217 120.091 119.914 -0.066 0.000 3.371 509 V HA 0.310 4.430 4.120 -0.000 0.000 0.246 509 V C 0.691 176.754 176.094 -0.051 0.000 1.303 509 V CA 0.805 63.069 62.300 -0.061 0.000 1.156 509 V CB 0.289 32.068 31.823 -0.072 0.000 0.929 509 V HN 0.610 nan 8.190 nan 0.000 0.459 510 T N 0.745 115.263 114.554 -0.061 0.000 2.754 510 T HA 0.622 4.972 4.350 -0.000 0.000 0.296 510 T C -0.714 173.936 174.700 -0.084 0.000 1.205 510 T CA 0.527 62.594 62.100 -0.055 0.000 1.009 510 T CB 1.851 70.694 68.868 -0.043 0.000 1.368 510 T HN 0.836 nan 8.240 nan 0.000 0.509 511 T N -0.673 113.839 114.554 -0.071 0.000 2.932 511 T HA 0.670 5.020 4.350 -0.000 0.000 0.289 511 T C -0.291 174.371 174.700 -0.064 0.000 1.039 511 T CA -0.692 61.349 62.100 -0.098 0.000 1.024 511 T CB 1.105 69.924 68.868 -0.081 0.000 1.090 511 T HN 0.482 nan 8.240 nan 0.000 0.496 512 V N 3.782 123.651 119.914 -0.075 0.000 2.475 512 V HA 0.213 4.333 4.120 -0.000 0.000 0.292 512 V C 1.548 177.626 176.094 -0.026 0.000 1.003 512 V CA 0.240 62.509 62.300 -0.052 0.000 1.120 512 V CB -0.470 31.314 31.823 -0.064 0.000 0.937 512 V HN 1.196 nan 8.190 nan 0.000 0.476 513 T N 3.003 117.547 114.554 -0.017 0.000 2.849 513 T HA 0.482 4.832 4.350 -0.000 0.000 0.284 513 T C 1.382 176.078 174.700 -0.006 0.000 1.004 513 T CA -0.085 62.012 62.100 -0.006 0.000 1.021 513 T CB 1.557 70.424 68.868 -0.002 0.000 1.013 513 T HN 0.718 nan 8.240 nan 0.000 0.527 514 A N 0.904 123.724 122.820 -0.000 0.000 1.940 514 A HA 0.063 4.383 4.320 -0.000 0.000 0.219 514 A C 2.620 180.203 177.584 -0.002 0.000 1.176 514 A CA 2.158 54.194 52.037 -0.001 0.000 0.631 514 A CB -1.824 17.178 19.000 0.003 0.000 0.814 514 A HN 1.198 nan 8.150 nan 0.000 0.446 515 E N 0.475 120.676 120.200 0.001 0.000 2.153 515 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 515 E C 1.509 178.110 176.600 0.002 0.000 0.988 515 E CA 1.508 57.910 56.400 0.003 0.000 0.811 515 E CB -0.885 28.819 29.700 0.006 0.000 0.746 515 E HN 0.725 nan 8.360 nan 0.000 0.466 516 D N 0.153 120.551 120.400 -0.003 0.000 2.264 516 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 516 D C 1.208 177.497 176.300 -0.017 0.000 0.966 516 D CA 1.448 55.444 54.000 -0.007 0.000 0.864 516 D CB -0.259 40.531 40.800 -0.016 0.000 0.933 516 D HN 0.497 nan 8.370 nan 0.000 0.499 517 D N -0.469 119.920 120.400 -0.019 0.000 2.333 517 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 517 D C 1.805 178.095 176.300 -0.016 0.000 0.984 517 D CA 0.525 54.510 54.000 -0.025 0.000 0.873 517 D CB 0.301 41.086 40.800 -0.024 0.000 0.935 517 D HN 0.086 nan 8.370 nan 0.000 0.521 518 A N -0.399 122.419 122.820 -0.005 0.000 1.997 518 A HA 0.137 4.457 4.320 -0.000 0.000 0.212 518 A C 2.142 179.734 177.584 0.012 0.000 1.178 518 A CA 1.180 53.219 52.037 0.003 0.000 0.698 518 A CB -0.741 18.262 19.000 0.005 0.000 0.842 518 A HN 0.230 nan 8.150 nan 0.000 0.458 519 Q N -1.319 118.491 119.800 0.017 0.000 2.435 519 Q HA 0.129 4.469 4.340 -0.000 0.000 0.207 519 Q C 1.815 177.845 176.000 0.051 0.000 0.956 519 Q CA 1.541 57.364 55.803 0.034 0.000 0.917 519 Q CB -0.820 27.940 28.738 0.037 0.000 0.997 519 Q HN 0.495 nan 8.270 nan 0.000 0.497 520 M N 1.077 120.690 119.600 0.023 0.000 2.195 520 M HA -0.075 4.405 4.480 -0.000 0.000 0.260 520 M C 1.963 178.280 176.300 0.029 0.000 1.066 520 M CA 1.770 57.069 55.300 -0.002 0.000 1.089 520 M CB -0.640 31.924 32.600 -0.060 0.000 1.377 520 M HN 0.683 nan 8.290 nan 0.000 0.411 521 E N -0.863 119.355 120.200 0.031 0.000 2.403 521 E HA 0.466 4.816 4.350 -0.000 0.000 0.188 521 E C 1.361 177.996 176.600 0.058 0.000 1.056 521 E CA 0.777 57.202 56.400 0.042 0.000 0.892 521 E CB -1.410 28.302 29.700 0.021 0.000 1.049 521 E HN 0.552 nan 8.360 nan 0.000 0.465 522 L N -1.474 119.795 121.223 0.076 0.000 2.808 522 L HA 0.575 4.915 4.340 -0.000 0.000 0.246 522 L C 0.996 177.923 176.870 0.094 0.000 1.153 522 L CA -0.353 54.527 54.840 0.067 0.000 0.956 522 L CB -1.390 40.696 42.059 0.045 0.000 1.270 522 L HN 0.539 nan 8.230 nan 0.000 0.528 523 Y N 1.986 122.274 120.300 -0.019 0.000 2.480 523 Y HA 0.408 4.958 4.550 -0.000 0.000 0.338 523 Y C 0.631 176.509 175.900 -0.037 0.000 1.220 523 Y CA 0.954 59.035 58.100 -0.032 0.000 1.430 523 Y CB 0.537 38.985 38.460 -0.020 0.000 1.311 523 Y HN 0.378 nan 8.280 nan 0.000 0.575 524 K N 3.880 124.072 120.400 -0.347 0.000 2.664 524 K HA 0.480 4.800 4.320 -0.000 0.000 0.298 524 K C -0.312 175.983 176.600 -0.509 0.000 1.152 524 K CA -0.205 55.922 56.287 -0.266 0.000 1.038 524 K CB 0.041 32.457 32.500 -0.140 0.000 1.342 524 K HN 1.157 nan 8.250 nan 0.000 0.496 525 G N 0.061 108.576 108.800 -0.476 0.000 2.732 525 G HA2 0.353 4.312 3.960 -0.000 0.000 0.244 525 G HA3 0.353 4.312 3.960 -0.000 0.000 0.244 525 G C 0.527 175.203 174.900 -0.373 0.000 1.226 525 G CA 0.081 44.892 45.100 -0.482 0.000 0.860 525 G HN 0.725 nan 8.290 nan 0.000 0.583 526 Y N -0.804 119.411 120.300 -0.141 0.000 2.574 526 Y HA 0.100 4.650 4.550 -0.000 0.000 0.294 526 Y C 1.891 177.439 175.900 -0.586 0.000 1.142 526 Y CA 0.759 58.660 58.100 -0.332 0.000 1.314 526 Y CB -0.159 38.075 38.460 -0.378 0.000 0.991 526 Y HN 0.420 nan 8.280 nan 0.000 0.555 527 F N -2.191 117.785 119.950 0.042 0.000 2.577 527 F HA 0.367 4.894 4.527 -0.000 0.000 0.276 527 F C 2.092 177.916 175.800 0.040 0.000 1.032 527 F CA 0.542 58.558 58.000 0.026 0.000 1.297 527 F CB -0.152 38.830 39.000 -0.031 0.000 1.061 527 F HN -0.090 nan 8.300 nan 0.000 0.680 528 G N 1.285 110.188 108.800 0.172 0.000 2.166 528 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 528 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 528 G C -0.200 174.765 174.900 0.107 0.000 0.986 528 G CA 0.559 45.725 45.100 0.111 0.000 0.683 528 G HN 0.471 nan 8.290 nan 0.000 0.527 529 D N -0.347 120.079 120.400 0.044 0.000 2.414 529 D HA 0.389 5.029 4.640 -0.000 0.000 0.251 529 D C 2.011 178.139 176.300 -0.287 0.000 1.252 529 D CA -0.427 53.372 54.000 -0.334 0.000 0.999 529 D CB 0.230 40.719 40.800 -0.518 0.000 1.093 529 D HN 0.402 nan 8.370 nan 0.000 0.515 530 I N -1.201 119.074 120.570 -0.492 0.000 2.700 530 I HA -0.151 4.018 4.170 -0.000 0.000 0.261 530 I C 0.513 176.626 176.117 -0.007 0.000 1.219 530 I CA 0.982 62.126 61.300 -0.261 0.000 1.463 530 I CB -0.735 37.078 38.000 -0.312 0.000 1.092 530 I HN 0.399 nan 8.210 nan 0.000 0.452 531 W N 1.984 123.203 121.300 -0.135 0.000 2.409 531 W HA -0.059 4.601 4.660 -0.000 0.000 0.299 531 W C 2.349 178.869 176.519 0.002 0.000 1.203 531 W CA 0.776 58.075 57.345 -0.077 0.000 1.298 531 W CB -1.164 28.224 29.460 -0.120 0.000 1.127 531 W HN 0.274 nan 8.180 nan 0.000 0.528 532 D N -0.068 120.481 120.400 0.250 0.000 2.183 532 D HA -0.118 4.522 4.640 -0.000 0.000 0.203 532 D C 2.177 178.601 176.300 0.207 0.000 0.969 532 D CA 0.919 55.068 54.000 0.249 0.000 0.842 532 D CB -0.030 40.887 40.800 0.195 0.000 0.957 532 D HN 0.027 nan 8.370 nan 0.000 0.484 533 I N 1.039 121.682 120.570 0.122 0.000 2.127 533 I HA -0.243 3.927 4.170 -0.000 0.000 0.241 533 I C 2.534 178.696 176.117 0.074 0.000 1.075 533 I CA 0.903 62.252 61.300 0.082 0.000 1.334 533 I CB -0.833 37.184 38.000 0.029 0.000 1.040 533 I HN -0.028 nan 8.210 nan 0.000 0.405 534 I N 0.093 120.712 120.570 0.082 0.000 2.202 534 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 534 I C 2.407 178.541 176.117 0.028 0.000 1.091 534 I CA 1.071 62.403 61.300 0.054 0.000 1.368 534 I CB -0.328 37.713 38.000 0.070 0.000 1.058 534 I HN 0.107 nan 8.210 nan 0.000 0.410 535 L N 0.480 121.738 121.223 0.059 0.000 2.201 535 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 535 L C 2.363 179.146 176.870 -0.146 0.000 1.105 535 L CA 1.701 56.542 54.840 0.003 0.000 0.775 535 L CB -0.640 41.477 42.059 0.097 0.000 0.913 535 L HN 0.139 nan 8.230 nan 0.000 0.440 536 K N -0.132 120.210 120.400 -0.098 0.000 2.009 536 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 536 K C 2.271 178.800 176.600 -0.119 0.000 1.049 536 K CA 2.341 58.535 56.287 -0.156 0.000 0.929 536 K CB -0.169 32.373 32.500 0.070 0.000 0.714 536 K HN 0.257 nan 8.250 nan 0.000 0.440 537 K N 0.211 120.577 120.400 -0.056 0.000 2.155 537 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 537 K C 2.069 178.625 176.600 -0.074 0.000 1.052 537 K CA 1.366 57.622 56.287 -0.052 0.000 0.948 537 K CB -0.947 31.538 32.500 -0.026 0.000 0.728 537 K HN 0.439 nan 8.250 nan 0.000 0.448 538 A N 0.433 123.203 122.820 -0.082 0.000 1.969 538 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 538 A C 2.281 179.786 177.584 -0.132 0.000 1.169 538 A CA 1.649 53.627 52.037 -0.097 0.000 0.635 538 A CB -0.203 18.746 19.000 -0.084 0.000 0.810 538 A HN 0.515 nan 8.150 nan 0.000 0.445 539 M N -0.504 119.002 119.600 -0.156 0.000 2.371 539 M HA 0.120 4.600 4.480 -0.000 0.000 0.246 539 M C 1.038 177.246 176.300 -0.154 0.000 1.103 539 M CA 0.335 55.528 55.300 -0.180 0.000 1.010 539 M CB -0.053 32.417 32.600 -0.218 0.000 1.457 539 M HN 0.355 nan 8.290 nan 0.000 0.486 540 K N 0.978 121.303 120.400 -0.125 0.000 2.117 540 K HA 0.213 4.533 4.320 -0.000 0.000 0.240 540 K C 0.758 177.311 176.600 -0.077 0.000 1.031 540 K CA -0.268 55.965 56.287 -0.090 0.000 0.909 540 K CB -0.059 32.400 32.500 -0.068 0.000 1.097 540 K HN 0.420 nan 8.250 nan 0.000 0.492 541 N N -0.525 118.142 118.700 -0.056 0.000 2.780 541 N HA -0.161 4.579 4.740 -0.000 0.000 0.248 541 N C -0.509 174.975 175.510 -0.044 0.000 1.102 541 N CA 1.218 54.242 53.050 -0.043 0.000 0.697 541 N CB -1.381 37.083 38.487 -0.039 0.000 1.028 541 N HN 0.975 nan 8.380 nan 0.000 0.554 542 S N -1.967 113.703 115.700 -0.050 0.000 2.665 542 S HA 0.317 4.787 4.470 -0.000 0.000 0.235 542 S C 0.038 174.614 174.600 -0.040 0.000 1.084 542 S CA -0.602 57.565 58.200 -0.055 0.000 1.151 542 S CB 0.578 63.717 63.200 -0.102 0.000 1.151 542 S HN 0.102 nan 8.310 nan 0.000 0.461 543 V N 1.458 121.363 119.914 -0.014 0.000 2.614 543 V HA 0.665 4.784 4.120 -0.000 0.000 0.291 543 V C 1.584 177.697 176.094 0.031 0.000 1.049 543 V CA 0.548 62.848 62.300 -0.001 0.000 1.038 543 V CB 0.113 31.938 31.823 0.005 0.000 0.980 543 V HN 0.976 nan 8.190 nan 0.000 0.481 544 G N 3.460 112.278 108.800 0.030 0.000 2.179 544 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 544 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 544 G C 0.008 174.953 174.900 0.074 0.000 0.977 544 G CA 0.040 45.191 45.100 0.086 0.000 0.641 544 G HN 0.554 nan 8.290 nan 0.000 0.533 545 L N 2.170 123.365 121.223 -0.046 0.000 2.326 545 L HA 0.357 4.697 4.340 -0.000 0.000 0.278 545 L C -1.445 175.208 176.870 -0.361 0.000 1.092 545 L CA -1.835 52.868 54.840 -0.228 0.000 0.810 545 L CB 0.909 42.876 42.059 -0.153 0.000 1.153 545 L HN -0.023 nan 8.230 nan 0.000 0.439 546 P HA 0.093 nan 4.420 nan 0.000 0.269 546 P C -0.839 176.311 177.300 -0.249 0.000 1.209 546 P CA -0.121 62.703 63.100 -0.460 0.000 0.776 546 P CB 1.210 32.540 31.700 -0.616 0.000 0.876 547 V N 1.294 121.110 119.914 -0.163 0.000 2.735 547 V HA 0.730 4.850 4.120 -0.000 0.000 0.310 547 V C 0.424 176.472 176.094 -0.076 0.000 1.061 547 V CA -0.751 61.492 62.300 -0.094 0.000 0.913 547 V CB 1.558 33.334 31.823 -0.077 0.000 1.005 547 V HN 0.827 nan 8.190 nan 0.000 0.428 548 A N 2.957 125.748 122.820 -0.050 0.000 2.468 548 A HA 1.008 5.328 4.320 -0.000 0.000 0.270 548 A C -1.003 176.539 177.584 -0.070 0.000 1.217 548 A CA -0.821 51.183 52.037 -0.055 0.000 0.908 548 A CB 2.049 21.030 19.000 -0.032 0.000 1.423 548 A HN 0.862 nan 8.150 nan 0.000 0.459 549 V N -0.576 119.288 119.914 -0.083 0.000 3.087 549 V HA 0.496 4.616 4.120 -0.000 0.000 0.306 549 V C -1.076 174.958 176.094 -0.099 0.000 1.187 549 V CA -0.470 61.771 62.300 -0.099 0.000 0.999 549 V CB 2.091 33.850 31.823 -0.107 0.000 1.049 549 V HN 1.044 nan 8.190 nan 0.000 0.431 550 Q N 3.027 122.770 119.800 -0.095 0.000 2.312 550 Q HA 0.598 4.938 4.340 -0.000 0.000 0.263 550 Q C -1.601 174.376 176.000 -0.039 0.000 0.995 550 Q CA -0.482 55.274 55.803 -0.079 0.000 0.853 550 Q CB 1.772 30.465 28.738 -0.074 0.000 1.300 550 Q HN 0.811 nan 8.270 nan 0.000 0.448 551 C N 3.851 123.146 119.300 -0.009 0.000 2.301 551 C HA 0.665 5.125 4.460 -0.000 0.000 0.323 551 C C -0.381 174.674 174.990 0.109 0.000 1.265 551 C CA -0.808 58.297 59.018 0.144 0.000 1.503 551 C CB 0.301 28.115 27.740 0.123 0.000 2.195 551 C HN 0.619 nan 8.230 nan 0.000 0.477 552 V N 2.648 122.632 119.914 0.117 0.000 2.667 552 V HA 0.940 5.060 4.120 -0.000 0.000 0.308 552 V C 0.346 176.572 176.094 0.220 0.000 1.048 552 V CA -0.162 62.171 62.300 0.056 0.000 0.928 552 V CB 1.645 33.354 31.823 -0.190 0.000 1.004 552 V HN 1.086 nan 8.190 nan 0.000 0.444 553 A N 3.069 125.951 122.820 0.103 0.000 2.486 553 A HA 0.854 5.174 4.320 -0.000 0.000 0.289 553 A C -0.753 176.559 177.584 -0.453 0.000 1.176 553 A CA -0.851 51.194 52.037 0.013 0.000 0.757 553 A CB 1.104 20.117 19.000 0.021 0.000 1.337 553 A HN 0.751 nan 8.150 nan 0.000 0.423 554 L N 1.056 121.876 121.223 -0.671 0.000 2.483 554 L HA 0.195 4.535 4.340 -0.000 0.000 0.275 554 L C -1.986 174.488 176.870 -0.661 0.000 1.220 554 L CA -1.337 52.886 54.840 -1.029 0.000 0.833 554 L CB 0.281 41.900 42.059 -0.733 0.000 1.102 554 L HN 0.409 nan 8.230 nan 0.000 0.490 555 P HA -0.094 nan 4.420 nan 0.000 0.265 555 P C -0.821 176.286 177.300 -0.322 0.000 1.193 555 P CA 0.334 63.111 63.100 -0.539 0.000 0.765 555 P CB 0.138 31.537 31.700 -0.502 0.000 0.823 556 W N 0.498 121.733 121.300 -0.107 0.000 2.303 556 W HA -0.186 4.474 4.660 -0.000 0.000 0.267 556 W C 0.381 176.840 176.519 -0.100 0.000 1.054 556 W CA 0.017 57.311 57.345 -0.084 0.000 0.501 556 W CB -2.411 27.001 29.460 -0.080 0.000 2.076 556 W HN 0.347 nan 8.180 nan 0.000 1.317 557 Q N 0.841 120.640 119.800 -0.002 0.000 2.735 557 Q HA 0.164 4.504 4.340 -0.000 0.000 0.380 557 Q C 1.179 177.160 176.000 -0.031 0.000 1.060 557 Q CA 0.314 56.100 55.803 -0.028 0.000 1.025 557 Q CB 0.481 29.182 28.738 -0.062 0.000 1.350 557 Q HN 0.365 nan 8.270 nan 0.000 0.424 558 E N 0.997 121.184 120.200 -0.022 0.000 2.106 558 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 558 E C 1.604 178.174 176.600 -0.050 0.000 0.984 558 E CA 1.234 57.625 56.400 -0.016 0.000 0.806 558 E CB 0.384 30.100 29.700 0.026 0.000 0.750 558 E HN 0.422 nan 8.360 nan 0.000 0.458 559 E N 0.404 120.510 120.200 -0.157 0.000 2.158 559 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 559 E C 2.051 178.652 176.600 0.001 0.000 0.982 559 E CA 0.472 56.719 56.400 -0.254 0.000 0.823 559 E CB -0.397 28.950 29.700 -0.589 0.000 0.766 559 E HN 0.219 nan 8.360 nan 0.000 0.468 560 L N 1.570 122.801 121.223 0.014 0.000 2.056 560 L HA -0.043 4.296 4.340 -0.000 0.000 0.207 560 L C 2.511 179.461 176.870 0.134 0.000 1.078 560 L CA 1.347 56.234 54.840 0.079 0.000 0.749 560 L CB -1.014 41.069 42.059 0.040 0.000 0.901 560 L HN 0.317 nan 8.230 nan 0.000 0.433 561 C N -0.522 118.839 119.300 0.102 0.000 2.413 561 C HA -0.199 4.261 4.460 -0.000 0.000 0.276 561 C C 2.798 177.888 174.990 0.167 0.000 1.236 561 C CA 1.286 60.389 59.018 0.142 0.000 1.735 561 C CB -1.079 26.706 27.740 0.075 0.000 2.031 561 C HN 0.602 nan 8.230 nan 0.000 0.474 562 L N 0.717 122.010 121.223 0.117 0.000 2.056 562 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 562 L C 3.038 180.085 176.870 0.296 0.000 1.078 562 L CA 1.673 56.584 54.840 0.119 0.000 0.749 562 L CB -0.950 41.069 42.059 -0.068 0.000 0.901 562 L HN 0.380 nan 8.230 nan 0.000 0.433 563 R N 0.676 121.431 120.500 0.426 0.000 2.096 563 R HA -0.260 4.080 4.340 -0.000 0.000 0.240 563 R C 2.344 178.807 176.300 0.270 0.000 1.139 563 R CA 2.087 58.425 56.100 0.397 0.000 0.952 563 R CB -0.905 29.581 30.300 0.310 0.000 0.854 563 R HN 0.332 nan 8.270 nan 0.000 0.436 564 F N 1.023 121.017 119.950 0.073 0.000 2.069 564 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 564 F C 2.462 178.268 175.800 0.010 0.000 1.113 564 F CA 1.889 59.890 58.000 0.002 0.000 1.214 564 F CB -0.100 38.891 39.000 -0.016 0.000 0.978 564 F HN 0.012 nan 8.300 nan 0.000 0.474 565 M N -0.141 119.412 119.600 -0.079 0.000 2.267 565 M HA -0.219 4.261 4.480 -0.000 0.000 0.263 565 M C 2.189 178.436 176.300 -0.088 0.000 1.063 565 M CA 1.692 56.889 55.300 -0.171 0.000 1.090 565 M CB -0.458 32.111 32.600 -0.051 0.000 1.392 565 M HN 0.133 nan 8.290 nan 0.000 0.422 566 R N 0.654 121.176 120.500 0.038 0.000 2.073 566 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 566 R C 1.996 178.296 176.300 0.000 0.000 1.134 566 R CA 1.979 58.116 56.100 0.062 0.000 0.952 566 R CB -0.153 30.232 30.300 0.143 0.000 0.850 566 R HN 0.212 nan 8.270 nan 0.000 0.433 567 E N -0.128 120.064 120.200 -0.013 0.000 2.038 567 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 567 E C 1.867 178.415 176.600 -0.087 0.000 1.000 567 E CA 2.087 58.476 56.400 -0.018 0.000 0.803 567 E CB -0.150 29.557 29.700 0.013 0.000 0.750 567 E HN 0.239 nan 8.360 nan 0.000 0.448 568 V N 0.937 120.710 119.914 -0.235 0.000 2.332 568 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 568 V C 2.441 178.453 176.094 -0.136 0.000 1.055 568 V CA 2.276 64.423 62.300 -0.254 0.000 1.038 568 V CB -0.695 30.852 31.823 -0.460 0.000 0.651 568 V HN 0.385 nan 8.190 nan 0.000 0.450 569 E N -0.320 119.817 120.200 -0.105 0.000 2.077 569 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 569 E C 2.368 178.953 176.600 -0.024 0.000 0.989 569 E CA 1.274 57.645 56.400 -0.050 0.000 0.800 569 E CB -0.110 29.576 29.700 -0.023 0.000 0.746 569 E HN 0.527 nan 8.360 nan 0.000 0.452 570 Q N 0.178 119.968 119.800 -0.016 0.000 2.172 570 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 570 Q C 2.332 178.334 176.000 0.004 0.000 0.964 570 Q CA 0.863 56.667 55.803 0.003 0.000 0.855 570 Q CB 0.079 28.825 28.738 0.014 0.000 0.918 570 Q HN 0.365 nan 8.270 nan 0.000 0.444 571 L N -0.596 120.625 121.223 -0.003 0.000 2.068 571 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 571 L C 2.369 179.234 176.870 -0.007 0.000 1.076 571 L CA 0.702 55.544 54.840 0.002 0.000 0.753 571 L CB -0.346 41.719 42.059 0.010 0.000 0.910 571 L HN 0.151 nan 8.230 nan 0.000 0.439 572 M N -0.856 118.731 119.600 -0.022 0.000 2.334 572 M HA 0.070 4.550 4.480 -0.000 0.000 0.266 572 M C 0.858 177.151 176.300 -0.011 0.000 1.082 572 M CA 0.884 56.171 55.300 -0.023 0.000 1.141 572 M CB -0.929 31.647 32.600 -0.040 0.000 1.380 572 M HN 0.268 nan 8.290 nan 0.000 0.440 573 T N 0.000 114.550 114.554 -0.007 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 573 T CA 0.000 62.104 62.100 0.006 0.000 1.349 573 T CB 0.000 68.874 68.868 0.011 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658