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 3fed_1_A DATA FIRST_RESID 46 DATA SEQUENCE SIRWKLVSEM KAENIKSFLR SFTKLPHLAG TEQNFLLAKK IQTQWKKFGL DATA SEQUENCE DSAKLVHYDV LLSYPNETNA NYISIVDEHE TEIFKTSXXX PPPDGYENVT DATA SEQUENCE NIVPPYNAFS AQGMPEGDLV YVNYARTEDF FKLEREMGIN CTGKIVIARY DATA SEQUENCE GKIFRGNKVK NAMLAGAIGI ILYSDPADYF APEVQPYPKG WNLPGTAAQR DATA SEQUENCE GNVLNLNGAG DPLTPGYPAK EYTFRLDVEE GVGIPRIPVH PIGYNDAEIL DATA SEQUENCE LRYLGGIAPP DKSWKGALNV SYSIGPGFTG SXSFRKVRMH VYNINKITRI DATA SEQUENCE YNVVGTIRGS VEPDRYVILG GHRDSWVFGA IDPTSGVAVL QEIARSFGKL DATA SEQUENCE MSKGWRPRRT IIFASWDAEE FGLLGSTEWA EENVKILQER SIAYINSDSS DATA SEQUENCE IEGNYTLRVD CTPLLYQLVY KLTKEIPSPD DGFESKSLYE SWLEKDPSPE DATA SEQUENCE NKNLPRINKL GSGSDFEAYF QRLGIASGRA RYTKNKKTDK YSSYPVYHTI DATA SEQUENCE YETFELVEKF YDPTFKKQLS VAQLRGALVY ELVDSKIIPF NIQDYAEALK DATA SEQUENCE NYAASIYNLS KKHDQQLTDH GVSFDSLFSA VKNFSEAASD FHKRLIQVDL DATA SEQUENCE NNPIAVRMMN DQLMLLERAF IDPLGLPGKL FYRHIIFAPS SHNKYAGESF DATA SEQUENCE PGIYDAIFDI ENKANSRLAW KEVKKHISIA AFTIQAAAGT LKEV 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 46 S HA 0.000 nan 4.470 nan 0.000 0.327 46 S C 0.000 174.614 174.600 0.023 0.000 1.055 46 S CA 0.000 58.231 58.200 0.052 0.000 1.107 46 S CB 0.000 63.232 63.200 0.053 0.000 0.593 47 I N 1.230 121.761 120.570 -0.065 0.000 2.286 47 I HA -0.079 4.092 4.170 0.002 0.000 0.248 47 I C 2.764 178.544 176.117 -0.562 0.000 1.115 47 I CA 1.724 62.857 61.300 -0.279 0.000 1.392 47 I CB -1.105 36.738 38.000 -0.262 0.000 1.065 47 I HN 0.868 nan 8.210 nan 0.000 0.418 48 R N -0.009 120.144 120.500 -0.578 0.000 2.081 48 R HA -0.249 4.093 4.340 0.002 0.000 0.235 48 R C 2.399 178.510 176.300 -0.315 0.000 1.131 48 R CA 1.872 57.586 56.100 -0.644 0.000 0.960 48 R CB -0.472 29.664 30.300 -0.273 0.000 0.856 48 R HN 0.392 nan 8.270 nan 0.000 0.436 49 W N 1.730 122.867 121.300 -0.272 0.000 2.388 49 W HA -0.121 4.540 4.660 0.002 0.000 0.294 49 W C 1.623 178.008 176.519 -0.224 0.000 1.212 49 W CA 1.506 58.732 57.345 -0.197 0.000 1.271 49 W CB 0.076 29.459 29.460 -0.128 0.000 1.126 49 W HN -0.017 nan 8.180 nan 0.000 0.535 50 K N -0.144 120.132 120.400 -0.207 0.000 2.057 50 K HA -0.222 4.099 4.320 0.002 0.000 0.207 50 K C 1.943 178.226 176.600 -0.528 0.000 1.049 50 K CA 1.674 57.729 56.287 -0.388 0.000 0.931 50 K CB -0.802 31.573 32.500 -0.208 0.000 0.714 50 K HN 0.188 nan 8.250 nan 0.000 0.440 51 L N 0.862 121.743 121.223 -0.569 0.000 2.017 51 L HA -0.172 4.169 4.340 0.002 0.000 0.208 51 L C 2.049 178.598 176.870 -0.535 0.000 1.073 51 L CA 1.507 55.971 54.840 -0.626 0.000 0.745 51 L CB -0.296 41.291 42.059 -0.787 0.000 0.894 51 L HN -0.098 nan 8.230 nan 0.000 0.432 52 V N -0.964 118.647 119.914 -0.505 0.000 2.358 52 V HA -0.220 3.902 4.120 0.002 0.000 0.246 52 V C 2.475 178.284 176.094 -0.476 0.000 1.047 52 V CA 1.908 63.960 62.300 -0.414 0.000 1.035 52 V CB -0.436 31.195 31.823 -0.320 0.000 0.658 52 V HN 0.511 nan 8.190 nan 0.000 0.452 53 S N -0.601 114.655 115.700 -0.741 0.000 2.453 53 S HA -0.133 4.338 4.470 0.002 0.000 0.231 53 S C 1.924 176.219 174.600 -0.507 0.000 1.005 53 S CA 0.986 58.727 58.200 -0.765 0.000 0.949 53 S CB -0.154 62.155 63.200 -1.484 0.000 0.774 53 S HN 0.608 nan 8.310 nan 0.000 0.510 54 E N 1.577 121.501 120.200 -0.461 0.000 2.208 54 E HA 0.059 4.411 4.350 0.002 0.000 0.193 54 E C 0.451 176.902 176.600 -0.247 0.000 0.988 54 E CA 0.480 56.687 56.400 -0.323 0.000 0.828 54 E CB -0.273 29.239 29.700 -0.314 0.000 0.763 54 E HN 0.477 nan 8.360 nan 0.000 0.478 55 M N 1.421 120.870 119.600 -0.252 0.000 2.239 55 M HA 0.103 4.584 4.480 0.002 0.000 0.348 55 M C -0.128 176.095 176.300 -0.128 0.000 1.239 55 M CA 0.499 55.696 55.300 -0.172 0.000 1.114 55 M CB 0.623 33.124 32.600 -0.164 0.000 1.641 55 M HN -0.272 nan 8.290 nan 0.000 0.453 56 K N 1.437 121.789 120.400 -0.079 0.000 2.427 56 K HA 0.476 4.798 4.320 0.002 0.000 0.252 56 K C 0.270 176.857 176.600 -0.022 0.000 0.931 56 K CA -0.413 55.837 56.287 -0.063 0.000 0.793 56 K CB 1.773 34.227 32.500 -0.076 0.000 1.211 56 K HN 0.747 nan 8.250 nan 0.000 0.426 57 A N 1.676 124.494 122.820 -0.003 0.000 1.917 57 A HA -0.231 4.090 4.320 0.002 0.000 0.219 57 A C 1.906 179.477 177.584 -0.021 0.000 1.182 57 A CA 2.226 54.296 52.037 0.054 0.000 0.633 57 A CB -0.266 18.785 19.000 0.085 0.000 0.819 57 A HN 0.779 nan 8.150 nan 0.000 0.448 58 E N 0.635 120.791 120.200 -0.074 0.000 2.153 58 E HA -0.149 4.202 4.350 0.002 0.000 0.194 58 E C 1.666 178.155 176.600 -0.185 0.000 0.988 58 E CA 1.559 57.869 56.400 -0.149 0.000 0.811 58 E CB -0.298 29.332 29.700 -0.117 0.000 0.746 58 E HN 0.592 nan 8.360 nan 0.000 0.466 59 N N 0.058 118.675 118.700 -0.137 0.000 2.171 59 N HA -0.066 4.675 4.740 0.002 0.000 0.184 59 N C 1.888 177.351 175.510 -0.077 0.000 1.021 59 N CA 1.156 54.091 53.050 -0.192 0.000 0.854 59 N CB -0.218 38.203 38.487 -0.110 0.000 0.994 59 N HN 0.285 nan 8.380 nan 0.000 0.426 60 I N 1.339 121.962 120.570 0.088 0.000 2.208 60 I HA -0.266 3.905 4.170 0.002 0.000 0.245 60 I C 2.461 178.639 176.117 0.102 0.000 1.097 60 I CA 1.109 62.553 61.300 0.240 0.000 1.363 60 I CB -0.183 37.974 38.000 0.263 0.000 1.051 60 I HN 0.161 nan 8.210 nan 0.000 0.413 61 K N 0.599 120.813 120.400 -0.311 0.000 2.057 61 K HA -0.216 4.106 4.320 0.002 0.000 0.207 61 K C 2.358 178.840 176.600 -0.196 0.000 1.049 61 K CA 1.893 57.754 56.287 -0.710 0.000 0.931 61 K CB -0.125 31.683 32.500 -1.154 0.000 0.714 61 K HN 0.149 nan 8.250 nan 0.000 0.440 62 S N -0.224 115.342 115.700 -0.224 0.000 2.356 62 S HA -0.120 4.352 4.470 0.002 0.000 0.223 62 S C 1.791 176.319 174.600 -0.119 0.000 1.032 62 S CA 1.048 59.109 58.200 -0.232 0.000 1.005 62 S CB -0.376 62.620 63.200 -0.340 0.000 0.867 62 S HN 0.351 nan 8.310 nan 0.000 0.449 63 F N 1.384 121.368 119.950 0.056 0.000 2.095 63 F HA 0.001 4.529 4.527 0.002 0.000 0.298 63 F C 2.122 178.089 175.800 0.279 0.000 1.104 63 F CA 0.963 59.086 58.000 0.205 0.000 1.232 63 F CB -1.018 38.127 39.000 0.243 0.000 0.987 63 F HN 0.252 nan 8.300 nan 0.000 0.475 64 L N 0.410 121.890 121.223 0.428 0.000 2.046 64 L HA -0.185 4.157 4.340 0.002 0.000 0.208 64 L C 2.549 179.604 176.870 0.308 0.000 1.077 64 L CA 1.690 56.793 54.840 0.438 0.000 0.747 64 L CB -0.667 41.727 42.059 0.559 0.000 0.896 64 L HN 0.002 nan 8.230 nan 0.000 0.432 65 R N -0.149 120.339 120.500 -0.020 0.000 2.096 65 R HA -0.136 4.205 4.340 0.002 0.000 0.235 65 R C 2.459 178.642 176.300 -0.196 0.000 1.127 65 R CA 1.856 57.632 56.100 -0.540 0.000 0.968 65 R CB -0.899 28.853 30.300 -0.913 0.000 0.861 65 R HN 0.664 nan 8.270 nan 0.000 0.440 66 S N -1.280 114.367 115.700 -0.090 0.000 2.447 66 S HA -0.057 4.415 4.470 0.002 0.000 0.233 66 S C 1.339 175.833 174.600 -0.177 0.000 1.006 66 S CA 0.686 58.793 58.200 -0.155 0.000 0.957 66 S CB -0.310 62.764 63.200 -0.209 0.000 0.773 66 S HN 0.336 nan 8.310 nan 0.000 0.507 67 F N 2.350 122.304 119.950 0.007 0.000 2.641 67 F HA 0.292 4.820 4.527 0.002 0.000 0.302 67 F C 1.594 177.397 175.800 0.005 0.000 1.098 67 F CA 0.251 58.225 58.000 -0.044 0.000 1.318 67 F CB 0.633 39.591 39.000 -0.069 0.000 1.035 67 F HN 0.397 nan 8.300 nan 0.000 0.551 68 T N -5.047 109.659 114.554 0.254 0.000 3.231 68 T HA 0.177 4.529 4.350 0.002 0.000 0.292 68 T C 1.288 176.205 174.700 0.362 0.000 1.001 68 T CA -0.326 61.992 62.100 0.363 0.000 0.920 68 T CB -0.059 69.039 68.868 0.382 0.000 1.140 68 T HN 0.056 nan 8.240 nan 0.000 0.525 69 K N 0.714 121.277 120.400 0.272 0.000 2.296 69 K HA 0.313 4.634 4.320 0.002 0.000 0.200 69 K C 0.320 177.215 176.600 0.493 0.000 1.048 69 K CA 0.629 57.097 56.287 0.302 0.000 0.966 69 K CB 0.132 32.708 32.500 0.126 0.000 0.754 69 K HN 0.395 nan 8.250 nan 0.000 0.466 70 L N 0.392 121.916 121.223 0.501 0.000 2.376 70 L HA 0.391 4.732 4.340 0.002 0.000 0.258 70 L C -2.665 174.430 176.870 0.375 0.000 1.013 70 L CA -2.791 52.324 54.840 0.457 0.000 0.822 70 L CB 2.045 44.252 42.059 0.248 0.000 1.388 70 L HN -0.279 nan 8.230 nan 0.000 0.413 71 P HA 0.095 nan 4.420 nan 0.000 0.269 71 P C -1.211 176.160 177.300 0.118 0.000 1.209 71 P CA 0.119 63.136 63.100 -0.138 0.000 0.776 71 P CB 0.162 31.696 31.700 -0.276 0.000 0.876 72 H N 0.082 119.161 119.070 0.014 0.000 2.511 72 H HA 0.477 5.034 4.556 0.002 0.000 0.228 72 H C -0.620 174.744 175.328 0.060 0.000 1.424 72 H CA -1.014 55.072 56.048 0.065 0.000 1.321 72 H CB -0.669 29.156 29.762 0.105 0.000 1.720 72 H HN 0.103 nan 8.280 nan 0.000 0.512 73 L N 1.949 123.189 121.223 0.029 0.000 2.456 73 L HA 0.476 4.817 4.340 0.002 0.000 0.272 73 L C 0.519 177.476 176.870 0.145 0.000 1.189 73 L CA 0.041 54.917 54.840 0.060 0.000 0.846 73 L CB 0.221 42.378 42.059 0.163 0.000 1.111 73 L HN 0.706 nan 8.230 nan 0.000 0.475 74 A N 3.783 126.693 122.820 0.151 0.000 2.531 74 A HA 0.433 4.755 4.320 0.002 0.000 0.236 74 A C 1.342 178.998 177.584 0.121 0.000 1.062 74 A CA 0.430 52.542 52.037 0.124 0.000 0.760 74 A CB -0.696 18.330 19.000 0.043 0.000 0.995 74 A HN 1.937 nan 8.150 nan 0.000 0.501 75 G N 1.232 110.116 108.800 0.139 0.000 2.179 75 G HA2 -0.164 3.797 3.960 0.002 0.000 0.260 75 G HA3 -0.164 3.797 3.960 0.002 0.000 0.260 75 G C 0.521 175.490 174.900 0.116 0.000 0.977 75 G CA 1.239 46.423 45.100 0.139 0.000 0.641 75 G HN 2.187 nan 8.290 nan 0.000 0.533 76 T N -2.425 112.205 114.554 0.125 0.000 2.943 76 T HA 0.679 5.031 4.350 0.002 0.000 0.284 76 T C 0.998 175.767 174.700 0.116 0.000 1.015 76 T CA 0.470 62.612 62.100 0.071 0.000 1.042 76 T CB 2.313 71.216 68.868 0.058 0.000 1.055 76 T HN 0.115 nan 8.240 nan 0.000 0.500 77 E N 0.726 120.971 120.200 0.074 0.000 2.085 77 E HA -0.195 4.156 4.350 0.002 0.000 0.194 77 E C 2.139 178.832 176.600 0.154 0.000 0.994 77 E CA 1.728 58.192 56.400 0.108 0.000 0.801 77 E CB -0.419 29.314 29.700 0.054 0.000 0.743 77 E HN 0.784 nan 8.360 nan 0.000 0.453 78 Q N -0.368 119.504 119.800 0.120 0.000 2.096 78 Q HA -0.174 4.167 4.340 0.002 0.000 0.204 78 Q C 1.929 178.013 176.000 0.140 0.000 0.982 78 Q CA 1.629 57.504 55.803 0.120 0.000 0.850 78 Q CB -0.221 28.595 28.738 0.130 0.000 0.901 78 Q HN 0.231 nan 8.270 nan 0.000 0.422 79 N N -0.351 118.463 118.700 0.190 0.000 2.409 79 N HA -0.113 4.628 4.740 0.002 0.000 0.179 79 N C 1.132 176.742 175.510 0.166 0.000 1.032 79 N CA 0.469 53.642 53.050 0.205 0.000 0.898 79 N CB -0.034 38.601 38.487 0.247 0.000 0.971 79 N HN 0.197 nan 8.380 nan 0.000 0.441 80 F N 0.807 120.764 119.950 0.012 0.000 2.146 80 F HA 0.052 4.581 4.527 0.002 0.000 0.298 80 F C 1.690 177.401 175.800 -0.148 0.000 1.096 80 F CA 1.068 58.984 58.000 -0.141 0.000 1.275 80 F CB -0.304 38.547 39.000 -0.249 0.000 1.008 80 F HN -0.006 nan 8.300 nan 0.000 0.480 81 L N -0.057 121.074 121.223 -0.154 0.000 2.083 81 L HA -0.242 4.100 4.340 0.002 0.000 0.209 81 L C 2.470 179.189 176.870 -0.251 0.000 1.083 81 L CA 1.071 55.758 54.840 -0.255 0.000 0.752 81 L CB -0.777 41.236 42.059 -0.077 0.000 0.899 81 L HN 0.251 nan 8.230 nan 0.000 0.433 82 L N -0.578 120.566 121.223 -0.132 0.000 2.141 82 L HA -0.149 4.192 4.340 0.002 0.000 0.209 82 L C 2.885 179.689 176.870 -0.109 0.000 1.094 82 L CA 0.916 55.721 54.840 -0.058 0.000 0.763 82 L CB -0.682 41.410 42.059 0.056 0.000 0.908 82 L HN 0.243 nan 8.230 nan 0.000 0.437 83 A N -0.045 122.652 122.820 -0.205 0.000 1.902 83 A HA -0.191 4.130 4.320 0.002 0.000 0.217 83 A C 2.301 179.646 177.584 -0.398 0.000 1.181 83 A CA 1.413 53.281 52.037 -0.282 0.000 0.623 83 A CB -0.257 18.594 19.000 -0.248 0.000 0.818 83 A HN 0.182 nan 8.150 nan 0.000 0.443 84 K N 0.056 120.146 120.400 -0.516 0.000 2.057 84 K HA -0.145 4.177 4.320 0.002 0.000 0.207 84 K C 1.985 178.380 176.600 -0.341 0.000 1.049 84 K CA 1.704 57.711 56.287 -0.468 0.000 0.931 84 K CB -0.428 31.740 32.500 -0.554 0.000 0.714 84 K HN 0.661 nan 8.250 nan 0.000 0.440 85 K N 0.974 121.199 120.400 -0.292 0.000 2.057 85 K HA -0.075 4.246 4.320 0.002 0.000 0.207 85 K C 2.173 178.627 176.600 -0.244 0.000 1.049 85 K CA 1.065 57.203 56.287 -0.248 0.000 0.931 85 K CB -0.087 32.244 32.500 -0.282 0.000 0.714 85 K HN 0.012 nan 8.250 nan 0.000 0.440 86 I N 0.969 121.380 120.570 -0.264 0.000 2.252 86 I HA -0.281 3.891 4.170 0.002 0.000 0.245 86 I C 2.827 178.449 176.117 -0.826 0.000 1.102 86 I CA 1.258 62.244 61.300 -0.523 0.000 1.385 86 I CB -0.314 37.297 38.000 -0.649 0.000 1.064 86 I HN 0.419 nan 8.210 nan 0.000 0.414 87 Q N 0.621 120.039 119.800 -0.637 0.000 2.061 87 Q HA -0.220 4.122 4.340 0.002 0.000 0.204 87 Q C 2.123 177.937 176.000 -0.310 0.000 0.984 87 Q CA 2.480 58.001 55.803 -0.470 0.000 0.846 87 Q CB -0.069 28.479 28.738 -0.316 0.000 0.902 87 Q HN 0.404 nan 8.270 nan 0.000 0.421 88 T N 1.083 115.465 114.554 -0.287 0.000 2.720 88 T HA -0.200 4.151 4.350 0.002 0.000 0.268 88 T C 1.748 176.279 174.700 -0.282 0.000 1.037 88 T CA 1.708 63.674 62.100 -0.224 0.000 1.144 88 T CB -0.184 68.565 68.868 -0.199 0.000 0.864 88 T HN 0.424 nan 8.240 nan 0.000 0.444 89 Q N -0.559 119.008 119.800 -0.389 0.000 2.084 89 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 89 Q C 2.246 177.680 176.000 -0.943 0.000 0.978 89 Q CA 1.334 56.738 55.803 -0.664 0.000 0.844 89 Q CB -0.171 28.231 28.738 -0.560 0.000 0.898 89 Q HN 0.561 nan 8.270 nan 0.000 0.426 90 W N 1.456 122.346 121.300 -0.684 0.000 2.363 90 W HA -0.102 4.560 4.660 0.002 0.000 0.296 90 W C 1.895 178.233 176.519 -0.301 0.000 1.212 90 W CA 0.700 57.767 57.345 -0.464 0.000 1.260 90 W CB -0.452 28.837 29.460 -0.285 0.000 1.131 90 W HN 0.142 nan 8.180 nan 0.000 0.530 91 K N 0.266 120.649 120.400 -0.028 0.000 2.057 91 K HA -0.188 4.133 4.320 0.002 0.000 0.207 91 K C 2.017 178.598 176.600 -0.033 0.000 1.049 91 K CA 1.570 57.846 56.287 -0.018 0.000 0.931 91 K CB -0.398 32.081 32.500 -0.034 0.000 0.714 91 K HN 0.029 nan 8.250 nan 0.000 0.440 92 K N 0.499 120.827 120.400 -0.119 0.000 2.097 92 K HA -0.140 4.182 4.320 0.002 0.000 0.206 92 K C 1.749 178.419 176.600 0.115 0.000 1.049 92 K CA 1.290 57.551 56.287 -0.044 0.000 0.933 92 K CB -0.047 32.387 32.500 -0.110 0.000 0.717 92 K HN -0.034 nan 8.250 nan 0.000 0.442 93 F N 0.182 120.168 119.950 0.060 0.000 2.333 93 F HA 0.088 4.616 4.527 0.002 0.000 0.300 93 F C 1.760 177.575 175.800 0.024 0.000 1.083 93 F CA 1.173 59.197 58.000 0.039 0.000 1.395 93 F CB -0.581 38.426 39.000 0.012 0.000 1.056 93 F HN 0.395 nan 8.300 nan 0.000 0.529 94 G N -0.274 108.636 108.800 0.183 0.000 2.138 94 G HA2 -0.206 3.756 3.960 0.002 0.000 0.193 94 G HA3 -0.206 3.756 3.960 0.002 0.000 0.193 94 G C 0.003 174.953 174.900 0.083 0.000 0.998 94 G CA -0.464 44.706 45.100 0.117 0.000 0.668 94 G HN 0.161 nan 8.290 nan 0.000 0.516 95 L N 1.035 122.286 121.223 0.047 0.000 2.483 95 L HA 0.289 4.630 4.340 0.002 0.000 0.275 95 L C 1.621 178.507 176.870 0.026 0.000 1.220 95 L CA 0.638 55.470 54.840 -0.013 0.000 0.833 95 L CB 0.448 42.424 42.059 -0.137 0.000 1.102 95 L HN 0.123 nan 8.230 nan 0.000 0.490 96 D N -0.568 119.850 120.400 0.029 0.000 2.219 96 D HA -0.025 4.616 4.640 0.002 0.000 0.205 96 D C 0.457 176.785 176.300 0.046 0.000 0.970 96 D CA 1.080 55.102 54.000 0.038 0.000 0.851 96 D CB 0.194 41.015 40.800 0.035 0.000 0.943 96 D HN 0.569 nan 8.370 nan 0.000 0.488 97 S N -1.341 114.391 115.700 0.053 0.000 2.570 97 S HA 0.747 5.219 4.470 0.002 0.000 0.270 97 S C -1.382 173.285 174.600 0.112 0.000 1.149 97 S CA -0.790 57.455 58.200 0.075 0.000 0.837 97 S CB 2.785 66.033 63.200 0.080 0.000 1.124 97 S HN 0.083 nan 8.310 nan 0.000 0.465 98 A N 1.794 124.694 122.820 0.133 0.000 2.579 98 A HA 0.663 4.984 4.320 0.002 0.000 0.288 98 A C -0.994 176.661 177.584 0.118 0.000 1.079 98 A CA -0.795 51.368 52.037 0.211 0.000 0.889 98 A CB 0.619 19.773 19.000 0.257 0.000 1.439 98 A HN 0.706 nan 8.150 nan 0.000 0.399 99 K N 2.047 122.523 120.400 0.128 0.000 2.318 99 K HA 0.702 5.024 4.320 0.002 0.000 0.249 99 K C -0.926 175.733 176.600 0.098 0.000 0.942 99 K CA -0.726 55.621 56.287 0.101 0.000 0.808 99 K CB 2.480 35.055 32.500 0.125 0.000 1.189 99 K HN 0.588 nan 8.250 nan 0.000 0.428 100 L N 2.285 123.572 121.223 0.107 0.000 2.305 100 L HA 0.350 4.691 4.340 0.002 0.000 0.281 100 L C -0.471 176.526 176.870 0.212 0.000 1.085 100 L CA -0.917 54.026 54.840 0.171 0.000 0.813 100 L CB 1.057 43.248 42.059 0.221 0.000 1.157 100 L HN 0.254 nan 8.230 nan 0.000 0.436 101 V N 3.004 123.043 119.914 0.209 0.000 2.407 101 V HA 0.326 4.448 4.120 0.002 0.000 0.291 101 V C -0.134 175.934 176.094 -0.044 0.000 1.018 101 V CA -0.712 61.636 62.300 0.081 0.000 0.842 101 V CB 1.249 33.209 31.823 0.228 0.000 0.996 101 V HN 0.743 nan 8.190 nan 0.000 0.426 102 H N 3.542 122.468 119.070 -0.240 0.000 2.567 102 H HA 0.754 5.311 4.556 0.002 0.000 0.345 102 H C -1.941 172.941 175.328 -0.744 0.000 1.169 102 H CA -0.748 55.060 56.048 -0.401 0.000 1.227 102 H CB 2.085 31.612 29.762 -0.392 0.000 1.607 102 H HN 0.464 nan 8.280 nan 0.000 0.534 103 Y N -0.585 119.743 120.300 0.046 0.000 2.588 103 Y HA 0.227 4.778 4.550 0.002 0.000 0.343 103 Y C -0.626 175.268 175.900 -0.011 0.000 1.065 103 Y CA -1.081 57.032 58.100 0.021 0.000 1.038 103 Y CB 2.043 40.505 38.460 0.005 0.000 1.297 103 Y HN 0.598 nan 8.280 nan 0.000 0.467 104 D N 2.426 122.904 120.400 0.131 0.000 2.453 104 D HA 0.464 5.106 4.640 0.002 0.000 0.238 104 D C -0.886 175.429 176.300 0.024 0.000 1.088 104 D CA -0.058 53.961 54.000 0.032 0.000 0.854 104 D CB 1.642 42.444 40.800 0.004 0.000 1.076 104 D HN 0.391 nan 8.370 nan 0.000 0.533 105 V N -0.437 119.484 119.914 0.011 0.000 3.001 105 V HA 0.543 4.665 4.120 0.002 0.000 0.314 105 V C -0.299 175.798 176.094 0.005 0.000 1.099 105 V CA -1.216 61.084 62.300 0.000 0.000 0.989 105 V CB 2.163 33.985 31.823 -0.002 0.000 1.040 105 V HN 0.241 nan 8.190 nan 0.000 0.434 106 L N 2.894 124.138 121.223 0.034 0.000 2.418 106 L HA 0.482 4.823 4.340 0.002 0.000 0.274 106 L C -0.325 176.658 176.870 0.190 0.000 1.135 106 L CA 0.724 55.629 54.840 0.109 0.000 0.870 106 L CB -0.366 41.783 42.059 0.150 0.000 1.154 106 L HN 0.683 nan 8.230 nan 0.000 0.462 107 L N 3.287 124.503 121.223 -0.011 0.000 2.260 107 L HA 0.708 5.049 4.340 0.002 0.000 0.265 107 L C -0.143 176.443 176.870 -0.473 0.000 1.015 107 L CA -0.837 53.786 54.840 -0.362 0.000 0.826 107 L CB 1.905 43.512 42.059 -0.753 0.000 1.373 107 L HN 0.597 nan 8.230 nan 0.000 0.450 108 S N -0.625 114.617 115.700 -0.763 0.000 2.572 108 S HA 0.715 5.186 4.470 0.002 0.000 0.274 108 S C -1.761 172.624 174.600 -0.359 0.000 1.150 108 S CA -0.354 57.545 58.200 -0.501 0.000 0.944 108 S CB 0.914 63.645 63.200 -0.783 0.000 1.071 108 S HN 0.387 nan 8.310 nan 0.000 0.479 109 Y N 1.885 122.209 120.300 0.041 0.000 2.588 109 Y HA 0.544 5.095 4.550 0.002 0.000 0.343 109 Y C -2.541 173.167 175.900 -0.320 0.000 1.065 109 Y CA -2.046 55.961 58.100 -0.155 0.000 1.038 109 Y CB 1.506 39.915 38.460 -0.085 0.000 1.297 109 Y HN 0.446 nan 8.280 nan 0.000 0.467 110 P HA 0.014 nan 4.420 nan 0.000 0.272 110 P C -0.659 176.603 177.300 -0.064 0.000 1.230 110 P CA -0.231 62.731 63.100 -0.230 0.000 0.788 110 P CB 0.566 32.099 31.700 -0.279 0.000 0.949 111 N N 2.046 120.742 118.700 -0.006 0.000 2.422 111 N HA -0.000 4.741 4.740 0.002 0.000 0.264 111 N C 0.793 176.309 175.510 0.009 0.000 1.063 111 N CA 0.105 53.165 53.050 0.016 0.000 0.959 111 N CB 0.275 38.793 38.487 0.052 0.000 1.087 111 N HN 0.271 nan 8.380 nan 0.000 0.483 112 E N 1.438 121.633 120.200 -0.008 0.000 2.409 112 E HA -0.083 4.269 4.350 0.002 0.000 0.198 112 E C 0.552 177.152 176.600 0.001 0.000 1.024 112 E CA 0.983 57.376 56.400 -0.011 0.000 0.861 112 E CB 0.122 29.806 29.700 -0.026 0.000 0.788 112 E HN 0.754 nan 8.360 nan 0.000 0.521 113 T N -2.307 112.252 114.554 0.008 0.000 3.145 113 T HA 0.164 4.515 4.350 0.002 0.000 0.281 113 T C 0.268 174.982 174.700 0.023 0.000 1.003 113 T CA -0.528 61.577 62.100 0.009 0.000 0.901 113 T CB 0.032 68.899 68.868 -0.002 0.000 1.112 113 T HN -0.165 nan 8.240 nan 0.000 0.535 114 N N 1.531 120.261 118.700 0.050 0.000 2.722 114 N HA 0.525 5.266 4.740 0.002 0.000 0.242 114 N C -0.598 175.009 175.510 0.163 0.000 1.398 114 N CA -0.249 52.860 53.050 0.099 0.000 0.755 114 N CB 1.090 39.616 38.487 0.064 0.000 1.268 114 N HN 0.494 nan 8.380 nan 0.000 0.522 115 A N 1.847 124.757 122.820 0.149 0.000 2.445 115 A HA 0.340 4.661 4.320 0.002 0.000 0.242 115 A C 0.358 178.084 177.584 0.238 0.000 1.075 115 A CA -0.211 51.917 52.037 0.152 0.000 0.777 115 A CB 0.187 19.256 19.000 0.114 0.000 1.013 115 A HN 0.607 nan 8.150 nan 0.000 0.493 116 N N 0.422 119.196 118.700 0.123 0.000 2.525 116 N HA 0.551 5.293 4.740 0.002 0.000 0.271 116 N C -0.688 174.794 175.510 -0.046 0.000 1.194 116 N CA 0.484 53.495 53.050 -0.065 0.000 0.964 116 N CB 0.814 39.109 38.487 -0.321 0.000 1.126 116 N HN 0.668 nan 8.380 nan 0.000 0.452 117 Y N -1.717 118.470 120.300 -0.189 0.000 2.741 117 Y HA 0.580 5.132 4.550 0.003 0.000 0.339 117 Y C -1.642 174.205 175.900 -0.088 0.000 1.226 117 Y CA -1.303 56.712 58.100 -0.142 0.000 1.072 117 Y CB 0.900 39.289 38.460 -0.118 0.000 1.331 117 Y HN 0.135 nan 8.280 nan 0.000 0.453 118 I N 2.593 123.277 120.570 0.190 0.000 2.530 118 I HA 0.697 4.869 4.170 0.002 0.000 0.297 118 I C -0.285 175.952 176.117 0.201 0.000 1.011 118 I CA -0.702 60.693 61.300 0.157 0.000 1.107 118 I CB 1.778 39.878 38.000 0.167 0.000 1.285 118 I HN 0.887 nan 8.210 nan 0.000 0.436 119 S N 5.352 121.163 115.700 0.185 0.000 2.627 119 S HA 0.811 5.282 4.470 0.002 0.000 0.283 119 S C -0.834 173.813 174.600 0.080 0.000 1.127 119 S CA -0.804 57.451 58.200 0.091 0.000 0.863 119 S CB 2.404 65.668 63.200 0.106 0.000 1.121 119 S HN 0.401 nan 8.310 nan 0.000 0.479 120 I N 1.443 122.016 120.570 0.004 0.000 2.433 120 I HA 0.577 4.749 4.170 0.002 0.000 0.292 120 I C -0.936 175.116 176.117 -0.108 0.000 1.001 120 I CA -0.957 60.261 61.300 -0.137 0.000 1.119 120 I CB 1.947 39.591 38.000 -0.594 0.000 1.289 120 I HN 0.417 nan 8.210 nan 0.000 0.438 121 V N 4.713 124.603 119.914 -0.040 0.000 2.919 121 V HA 0.336 4.458 4.120 0.002 0.000 0.316 121 V C -0.496 175.603 176.094 0.010 0.000 1.077 121 V CA -0.577 61.721 62.300 -0.003 0.000 0.977 121 V CB 2.351 34.193 31.823 0.031 0.000 1.039 121 V HN 0.858 nan 8.190 nan 0.000 0.441 122 D N 1.886 122.301 120.400 0.024 0.000 2.511 122 D HA 0.108 4.750 4.640 0.002 0.000 0.276 122 D C 0.925 177.194 176.300 -0.051 0.000 1.220 122 D CA -0.374 53.635 54.000 0.015 0.000 1.077 122 D CB 0.395 41.229 40.800 0.057 0.000 1.126 122 D HN 0.589 nan 8.370 nan 0.000 0.583 123 E N -0.740 119.343 120.200 -0.194 0.000 2.482 123 E HA -0.175 4.176 4.350 0.002 0.000 0.196 123 E C 0.400 176.794 176.600 -0.343 0.000 1.047 123 E CA 0.758 56.992 56.400 -0.277 0.000 0.869 123 E CB -0.473 29.026 29.700 -0.336 0.000 0.836 123 E HN 0.517 nan 8.360 nan 0.000 0.520 124 H N 1.127 120.215 119.070 0.029 0.000 2.520 124 H HA 0.249 4.806 4.556 0.003 0.000 0.284 124 H C -0.047 175.294 175.328 0.021 0.000 1.037 124 H CA 0.308 56.370 56.048 0.022 0.000 1.168 124 H CB 0.340 30.112 29.762 0.017 0.000 1.497 124 H HN 0.275 nan 8.280 nan 0.000 0.547 125 E N 0.098 120.345 120.200 0.080 0.000 3.496 125 E HA -0.129 4.222 4.350 0.002 0.000 0.300 125 E C -0.404 176.233 176.600 0.061 0.000 0.877 125 E CA 0.605 57.043 56.400 0.063 0.000 1.050 125 E CB -1.579 28.156 29.700 0.058 0.000 1.532 125 E HN 0.273 nan 8.360 nan 0.000 0.447 126 T N 1.477 116.078 114.554 0.078 0.000 2.832 126 T HA 0.188 4.539 4.350 0.002 0.000 0.296 126 T C 0.240 174.959 174.700 0.031 0.000 0.968 126 T CA -0.173 61.961 62.100 0.055 0.000 1.107 126 T CB 0.908 69.820 68.868 0.074 0.000 0.916 126 T HN 0.063 nan 8.240 nan 0.000 0.517 127 E N 2.625 122.828 120.200 0.005 0.000 2.299 127 E HA 0.054 4.405 4.350 0.002 0.000 0.272 127 E C 0.571 177.167 176.600 -0.007 0.000 1.043 127 E CA -0.303 56.086 56.400 -0.019 0.000 0.895 127 E CB 0.456 30.117 29.700 -0.066 0.000 1.011 127 E HN 0.447 nan 8.360 nan 0.000 0.432 128 I N 3.072 123.643 120.570 0.002 0.000 3.526 128 I HA 0.105 4.276 4.170 0.002 0.000 0.294 128 I C 0.315 176.511 176.117 0.132 0.000 1.229 128 I CA 0.549 61.886 61.300 0.060 0.000 1.408 128 I CB -0.193 37.852 38.000 0.076 0.000 1.127 128 I HN 0.366 nan 8.210 nan 0.000 0.439 129 F N 1.746 121.619 119.950 -0.129 0.000 2.596 129 F HA 0.564 5.092 4.527 0.002 0.000 0.311 129 F C -0.832 174.909 175.800 -0.098 0.000 1.116 129 F CA -1.077 56.861 58.000 -0.104 0.000 0.957 129 F CB 1.431 40.329 39.000 -0.170 0.000 1.250 129 F HN -0.206 nan 8.300 nan 0.000 0.444 130 K N 4.019 123.846 120.400 -0.956 0.000 2.550 130 K HA 0.423 4.744 4.320 0.002 0.000 0.252 130 K C -1.011 175.121 176.600 -0.781 0.000 0.943 130 K CA -0.524 55.335 56.287 -0.714 0.000 0.806 130 K CB 1.834 34.042 32.500 -0.487 0.000 1.289 130 K HN 0.849 nan 8.250 nan 0.000 0.435 131 T N -0.096 114.158 114.554 -0.501 0.000 2.766 131 T HA 0.248 4.600 4.350 0.002 0.000 0.295 131 T C 0.400 175.011 174.700 -0.148 0.000 1.024 131 T CA -0.480 61.457 62.100 -0.273 0.000 1.018 131 T CB 1.436 70.298 68.868 -0.010 0.000 1.002 131 T HN 0.425 nan 8.240 nan 0.000 0.532 137 P HA 0.306 nan 4.420 nan 0.000 0.271 137 P C -2.408 175.037 177.300 0.242 0.000 1.233 137 P CA -0.624 62.585 63.100 0.182 0.000 0.789 137 P CB -0.857 31.004 31.700 0.268 0.000 0.951 138 P HA 0.025 nan 4.420 nan 0.000 0.270 138 P C -0.515 177.073 177.300 0.481 0.000 1.223 138 P CA 0.131 63.483 63.100 0.420 0.000 0.785 138 P CB 0.220 32.112 31.700 0.320 0.000 0.923 139 D N 0.621 121.299 120.400 0.463 0.000 2.533 139 D HA 0.191 4.833 4.640 0.002 0.000 0.236 139 D C 1.616 178.087 176.300 0.285 0.000 1.137 139 D CA 1.953 56.144 54.000 0.318 0.000 0.867 139 D CB -0.035 40.917 40.800 0.254 0.000 1.170 139 D HN 0.701 nan 8.370 nan 0.000 0.474 140 G N 2.235 111.102 108.800 0.113 0.000 2.232 140 G HA2 -0.309 3.652 3.960 0.002 0.000 0.226 140 G HA3 -0.309 3.652 3.960 0.002 0.000 0.226 140 G C 0.443 175.140 174.900 -0.339 0.000 0.996 140 G CA -0.222 44.794 45.100 -0.140 0.000 0.626 140 G HN 0.500 nan 8.290 nan 0.000 0.509 141 Y N 0.976 121.325 120.300 0.082 0.000 2.720 141 Y HA 0.478 5.029 4.550 0.003 0.000 0.268 141 Y C 1.721 177.699 175.900 0.129 0.000 1.142 141 Y CA 0.177 58.337 58.100 0.099 0.000 1.193 141 Y CB 0.625 39.143 38.460 0.098 0.000 1.176 141 Y HN 0.243 nan 8.280 nan 0.000 0.542 142 E N 0.643 120.950 120.200 0.180 0.000 2.204 142 E HA -0.172 4.179 4.350 0.002 0.000 0.195 142 E C 1.550 178.228 176.600 0.129 0.000 0.990 142 E CA 1.289 57.779 56.400 0.151 0.000 0.821 142 E CB -0.139 29.624 29.700 0.105 0.000 0.750 142 E HN 0.502 nan 8.360 nan 0.000 0.477 143 N N -0.081 118.688 118.700 0.115 0.000 2.383 143 N HA -0.030 4.711 4.740 0.002 0.000 0.192 143 N C -0.331 175.253 175.510 0.122 0.000 1.141 143 N CA 0.027 53.135 53.050 0.096 0.000 0.851 143 N CB 0.080 38.604 38.487 0.063 0.000 0.976 143 N HN -0.104 nan 8.380 nan 0.000 0.465 144 V N 1.634 121.659 119.914 0.185 0.000 2.455 144 V HA 0.165 4.287 4.120 0.002 0.000 0.273 144 V C 1.199 177.372 176.094 0.131 0.000 1.045 144 V CA 0.323 62.743 62.300 0.199 0.000 0.976 144 V CB 0.900 32.931 31.823 0.348 0.000 0.993 144 V HN 0.547 nan 8.190 nan 0.000 0.475 145 T N -0.372 114.234 114.554 0.087 0.000 3.084 145 T HA 0.081 4.433 4.350 0.002 0.000 0.270 145 T C 0.644 175.363 174.700 0.031 0.000 1.008 145 T CA -0.011 62.122 62.100 0.055 0.000 0.900 145 T CB -0.231 68.663 68.868 0.043 0.000 1.084 145 T HN 0.644 nan 8.240 nan 0.000 0.538 146 N N 1.267 119.982 118.700 0.024 0.000 2.497 146 N HA 0.218 4.960 4.740 0.002 0.000 0.284 146 N C -0.419 175.078 175.510 -0.022 0.000 1.459 146 N CA -0.631 52.419 53.050 0.000 0.000 0.899 146 N CB -0.357 38.130 38.487 -0.000 0.000 1.316 146 N HN 0.416 nan 8.380 nan 0.000 0.500 147 I N 0.888 121.437 120.570 -0.033 0.000 2.598 147 I HA -0.004 4.168 4.170 0.002 0.000 0.284 147 I C 0.544 176.650 176.117 -0.019 0.000 1.140 147 I CA -0.434 60.821 61.300 -0.075 0.000 1.420 147 I CB 1.174 39.122 38.000 -0.087 0.000 1.387 147 I HN -0.068 nan 8.210 nan 0.000 0.553 148 V N 10.024 129.950 119.914 0.020 0.000 2.572 148 V HA 0.197 4.319 4.120 0.002 0.000 0.291 148 V C -1.637 174.499 176.094 0.070 0.000 1.039 148 V CA -1.359 60.988 62.300 0.077 0.000 1.055 148 V CB 1.018 32.977 31.823 0.228 0.000 0.969 148 V HN 0.609 nan 8.190 nan 0.000 0.482 149 P HA 0.285 nan 4.420 nan 0.000 0.272 149 P C -2.833 174.544 177.300 0.128 0.000 1.240 149 P CA -1.690 61.448 63.100 0.064 0.000 0.791 149 P CB -0.296 31.441 31.700 0.061 0.000 0.978 150 P HA 0.121 nan 4.420 nan 0.000 0.268 150 P C -0.930 176.451 177.300 0.134 0.000 1.204 150 P CA 0.787 63.900 63.100 0.023 0.000 0.768 150 P CB -0.132 31.526 31.700 -0.070 0.000 0.842 151 Y N -0.512 119.652 120.300 -0.228 0.000 2.741 151 Y HA 0.486 5.037 4.550 0.002 0.000 0.339 151 Y C -1.749 173.990 175.900 -0.269 0.000 1.226 151 Y CA -1.561 56.452 58.100 -0.146 0.000 1.072 151 Y CB 0.540 39.003 38.460 0.005 0.000 1.331 151 Y HN 0.180 nan 8.280 nan 0.000 0.453 152 N N 1.292 119.832 118.700 -0.267 0.000 2.511 152 N HA 0.673 5.414 4.740 0.002 0.000 0.249 152 N C -0.861 174.437 175.510 -0.353 0.000 0.971 152 N CA -0.628 52.166 53.050 -0.426 0.000 0.938 152 N CB 1.817 40.190 38.487 -0.189 0.000 1.131 152 N HN 0.956 nan 8.380 nan 0.000 0.505 153 A N 2.083 124.514 122.820 -0.648 0.000 2.540 153 A HA 0.207 4.529 4.320 0.002 0.000 0.239 153 A C 0.121 177.702 177.584 -0.005 0.000 1.061 153 A CA 0.435 52.275 52.037 -0.329 0.000 0.758 153 A CB -0.627 18.151 19.000 -0.369 0.000 0.991 153 A HN 0.868 nan 8.150 nan 0.000 0.502 154 F N 0.146 120.157 119.950 0.100 0.000 2.544 154 F HA -0.205 4.323 4.527 0.002 0.000 0.389 154 F C 1.174 176.985 175.800 0.020 0.000 0.588 154 F CA 0.896 58.935 58.000 0.065 0.000 1.461 154 F CB -2.085 36.952 39.000 0.061 0.000 1.995 154 F HN 0.688 nan 8.300 nan 0.000 0.282 155 S N 1.071 116.843 115.700 0.121 0.000 2.561 155 S HA 0.476 4.948 4.470 0.002 0.000 0.294 155 S C 0.779 175.392 174.600 0.022 0.000 1.294 155 S CA 0.021 58.251 58.200 0.049 0.000 1.055 155 S CB 0.600 63.815 63.200 0.025 0.000 0.819 155 S HN 0.827 nan 8.310 nan 0.000 0.503 156 A N 4.292 127.102 122.820 -0.017 0.000 2.429 156 A HA 0.280 4.602 4.320 0.002 0.000 0.242 156 A C 0.390 177.881 177.584 -0.155 0.000 1.088 156 A CA -0.145 51.858 52.037 -0.057 0.000 0.784 156 A CB 0.069 19.033 19.000 -0.060 0.000 1.038 156 A HN 0.909 nan 8.150 nan 0.000 0.501 157 Q N -0.529 119.146 119.800 -0.208 0.000 2.259 157 Q HA 0.556 4.897 4.340 0.002 0.000 0.246 157 Q C 0.220 175.926 176.000 -0.490 0.000 0.920 157 Q CA 0.307 55.825 55.803 -0.475 0.000 0.895 157 Q CB 1.633 30.149 28.738 -0.369 0.000 1.220 157 Q HN 1.108 nan 8.270 nan 0.000 0.439 158 G N 0.893 109.208 108.800 -0.809 0.000 2.316 158 G HA2 0.333 4.295 3.960 0.002 0.000 0.296 158 G HA3 0.333 4.295 3.960 0.002 0.000 0.296 158 G C -1.103 173.589 174.900 -0.346 0.000 1.399 158 G CA -0.877 43.973 45.100 -0.416 0.000 0.833 158 G HN 0.579 nan 8.290 nan 0.000 0.565 159 M N 0.060 119.611 119.600 -0.082 0.000 2.952 159 M HA 0.396 4.877 4.480 0.002 0.000 0.259 159 M C -2.758 173.547 176.300 0.007 0.000 1.306 159 M CA -1.536 53.762 55.300 -0.004 0.000 0.626 159 M CB 1.206 33.882 32.600 0.127 0.000 1.423 159 M HN 0.291 nan 8.290 nan 0.000 0.459 160 P HA 0.210 nan 4.420 nan 0.000 0.272 160 P C -1.203 176.109 177.300 0.020 0.000 1.223 160 P CA 0.368 63.467 63.100 -0.001 0.000 0.784 160 P CB 1.231 32.922 31.700 -0.015 0.000 0.923 161 E N 0.468 120.685 120.200 0.029 0.000 2.292 161 E HA 0.615 4.966 4.350 0.002 0.000 0.272 161 E C -0.907 175.714 176.600 0.035 0.000 0.881 161 E CA -0.780 55.644 56.400 0.041 0.000 0.754 161 E CB 1.625 31.353 29.700 0.048 0.000 1.201 161 E HN 0.707 nan 8.360 nan 0.000 0.425 162 G N 2.679 111.502 108.800 0.038 0.000 2.428 162 G HA2 0.148 4.109 3.960 0.002 0.000 0.304 162 G HA3 0.148 4.109 3.960 0.002 0.000 0.304 162 G C -1.425 173.481 174.900 0.010 0.000 1.303 162 G CA -0.786 44.328 45.100 0.024 0.000 0.825 162 G HN 0.499 nan 8.290 nan 0.000 0.484 163 D N -0.182 120.205 120.400 -0.021 0.000 2.339 163 D HA 0.431 5.073 4.640 0.002 0.000 0.245 163 D C -0.209 176.037 176.300 -0.090 0.000 1.115 163 D CA -0.005 53.940 54.000 -0.092 0.000 0.917 163 D CB 2.215 42.961 40.800 -0.090 0.000 1.192 163 D HN 0.250 nan 8.370 nan 0.000 0.428 164 L N 1.877 122.985 121.223 -0.193 0.000 2.307 164 L HA 0.351 4.692 4.340 0.002 0.000 0.282 164 L C -0.955 175.876 176.870 -0.064 0.000 1.051 164 L CA -0.384 54.394 54.840 -0.104 0.000 0.804 164 L CB 1.531 43.516 42.059 -0.123 0.000 1.197 164 L HN 0.076 nan 8.230 nan 0.000 0.431 165 V N 5.050 124.988 119.914 0.040 0.000 2.588 165 V HA 0.274 4.396 4.120 0.002 0.000 0.304 165 V C -1.113 175.087 176.094 0.178 0.000 1.042 165 V CA -0.749 61.609 62.300 0.096 0.000 0.877 165 V CB 1.500 33.379 31.823 0.092 0.000 0.996 165 V HN 0.625 nan 8.190 nan 0.000 0.425 166 Y N 5.415 125.773 120.300 0.097 0.000 2.336 166 Y HA 0.485 5.037 4.550 0.002 0.000 0.335 166 Y C 0.671 176.682 175.900 0.185 0.000 1.046 166 Y CA -0.459 57.724 58.100 0.138 0.000 1.198 166 Y CB 1.651 40.212 38.460 0.169 0.000 1.182 166 Y HN 0.437 nan 8.280 nan 0.000 0.502 167 V N 3.034 122.662 119.914 -0.476 0.000 3.085 167 V HA 0.317 4.439 4.120 0.002 0.000 0.345 167 V C 0.583 176.061 176.094 -1.026 0.000 1.397 167 V CA 0.176 62.143 62.300 -0.554 0.000 1.165 167 V CB -1.221 30.298 31.823 -0.507 0.000 1.153 167 V HN 0.977 nan 8.190 nan 0.000 0.495 168 N N 1.447 119.161 118.700 -1.644 0.000 1.222 168 N HA -0.330 4.412 4.740 0.002 0.000 0.134 168 N C 0.234 175.221 175.510 -0.872 0.000 0.787 168 N CA 2.543 54.701 53.050 -1.487 0.000 0.929 168 N CB -1.357 35.853 38.487 -2.128 0.000 1.170 168 N HN 0.442 nan 8.380 nan 0.000 0.541 169 Y N 1.324 121.288 120.300 -0.561 0.000 2.461 169 Y HA 0.517 5.068 4.550 0.002 0.000 0.277 169 Y C 1.524 177.271 175.900 -0.255 0.000 1.182 169 Y CA 0.962 58.877 58.100 -0.308 0.000 1.276 169 Y CB -0.448 37.875 38.460 -0.228 0.000 1.087 169 Y HN 0.640 nan 8.280 nan 0.000 0.519 170 A N 0.338 123.002 122.820 -0.260 0.000 2.832 170 A HA -0.299 4.022 4.320 0.002 0.000 0.280 170 A C 0.734 178.365 177.584 0.078 0.000 1.464 170 A CA 0.676 52.626 52.037 -0.145 0.000 0.804 170 A CB -2.039 17.012 19.000 0.086 0.000 1.020 170 A HN 0.530 nan 8.150 nan 0.000 0.563 171 R N -1.044 119.446 120.500 -0.017 0.000 2.637 171 R HA 0.436 4.777 4.340 0.002 0.000 0.269 171 R C 1.701 178.057 176.300 0.093 0.000 1.089 171 R CA 0.108 56.233 56.100 0.041 0.000 1.177 171 R CB 0.128 30.420 30.300 -0.014 0.000 1.091 171 R HN 0.358 nan 8.270 nan 0.000 0.540 172 T N 1.480 116.057 114.554 0.038 0.000 2.699 172 T HA -0.190 4.162 4.350 0.002 0.000 0.268 172 T C 1.572 176.079 174.700 -0.322 0.000 1.036 172 T CA 1.916 63.935 62.100 -0.136 0.000 1.147 172 T CB -0.156 68.624 68.868 -0.148 0.000 0.862 172 T HN 0.692 nan 8.240 nan 0.000 0.446 173 E N 1.497 121.620 120.200 -0.129 0.000 2.204 173 E HA -0.161 4.191 4.350 0.002 0.000 0.194 173 E C 1.309 177.994 176.600 0.142 0.000 0.989 173 E CA 1.099 57.528 56.400 0.048 0.000 0.824 173 E CB -0.340 29.438 29.700 0.129 0.000 0.756 173 E HN 0.456 nan 8.360 nan 0.000 0.477 174 D N 0.518 120.946 120.400 0.047 0.000 2.123 174 D HA -0.064 4.578 4.640 0.002 0.000 0.200 174 D C 1.844 178.179 176.300 0.059 0.000 0.976 174 D CA 0.822 54.850 54.000 0.047 0.000 0.831 174 D CB -0.454 40.135 40.800 -0.351 0.000 0.974 174 D HN 0.242 nan 8.370 nan 0.000 0.469 175 F N 0.169 120.183 119.950 0.107 0.000 2.259 175 F HA -0.101 4.428 4.527 0.003 0.000 0.298 175 F C 2.168 178.120 175.800 0.254 0.000 1.088 175 F CA 0.355 58.437 58.000 0.136 0.000 1.358 175 F CB -0.160 38.871 39.000 0.053 0.000 1.040 175 F HN -0.145 nan 8.300 nan 0.000 0.505 176 F N 0.890 121.014 119.950 0.290 0.000 2.102 176 F HA -0.186 4.342 4.527 0.002 0.000 0.298 176 F C 2.414 178.302 175.800 0.146 0.000 1.105 176 F CA 1.169 59.282 58.000 0.189 0.000 1.239 176 F CB -1.212 37.881 39.000 0.155 0.000 0.991 176 F HN -0.089 nan 8.300 nan 0.000 0.474 177 K N 0.422 121.039 120.400 0.361 0.000 2.057 177 K HA -0.160 4.162 4.320 0.002 0.000 0.207 177 K C 2.173 178.845 176.600 0.120 0.000 1.049 177 K CA 1.033 57.447 56.287 0.211 0.000 0.931 177 K CB -0.306 32.335 32.500 0.236 0.000 0.714 177 K HN 0.217 nan 8.250 nan 0.000 0.440 178 L N 0.666 121.984 121.223 0.158 0.000 2.012 178 L HA -0.219 4.123 4.340 0.002 0.000 0.210 178 L C 2.655 179.590 176.870 0.108 0.000 1.073 178 L CA 1.781 56.680 54.840 0.098 0.000 0.748 178 L CB -0.378 41.774 42.059 0.154 0.000 0.891 178 L HN 0.363 nan 8.230 nan 0.000 0.431 179 E N -0.040 120.264 120.200 0.173 0.000 2.112 179 E HA -0.137 4.214 4.350 0.002 0.000 0.190 179 E C 2.265 178.917 176.600 0.087 0.000 0.979 179 E CA 0.666 57.149 56.400 0.139 0.000 0.814 179 E CB 0.227 30.038 29.700 0.185 0.000 0.762 179 E HN 0.378 nan 8.360 nan 0.000 0.460 180 R N -0.479 120.073 120.500 0.087 0.000 2.237 180 R HA 0.114 4.456 4.340 0.002 0.000 0.195 180 R C 1.543 177.852 176.300 0.016 0.000 0.956 180 R CA 0.756 56.876 56.100 0.034 0.000 1.029 180 R CB 0.372 30.674 30.300 0.005 0.000 0.972 180 R HN 0.144 nan 8.270 nan 0.000 0.493 181 E N -0.623 119.589 120.200 0.019 0.000 2.414 181 E HA 0.154 4.506 4.350 0.002 0.000 0.208 181 E C 1.286 177.865 176.600 -0.034 0.000 0.820 181 E CA 0.175 56.568 56.400 -0.011 0.000 1.143 181 E CB 0.536 30.227 29.700 -0.015 0.000 1.150 181 E HN 0.098 nan 8.360 nan 0.000 0.540 182 M N -0.234 119.340 119.600 -0.043 0.000 2.382 182 M HA 0.236 4.718 4.480 0.002 0.000 0.247 182 M C 0.923 177.198 176.300 -0.041 0.000 1.104 182 M CA 0.475 55.729 55.300 -0.078 0.000 1.030 182 M CB 1.252 33.761 32.600 -0.150 0.000 1.424 182 M HN 0.253 nan 8.290 nan 0.000 0.486 183 G N 1.672 110.466 108.800 -0.011 0.000 2.160 183 G HA2 -0.199 3.763 3.960 0.002 0.000 0.251 183 G HA3 -0.199 3.763 3.960 0.002 0.000 0.251 183 G C -0.077 174.830 174.900 0.013 0.000 1.008 183 G CA -0.245 44.856 45.100 0.002 0.000 0.724 183 G HN 0.371 nan 8.290 nan 0.000 0.514 184 I N 0.659 121.244 120.570 0.024 0.000 2.359 184 I HA 0.350 4.522 4.170 0.002 0.000 0.294 184 I C -0.065 176.094 176.117 0.071 0.000 0.987 184 I CA -1.193 60.131 61.300 0.041 0.000 1.225 184 I CB 1.488 39.512 38.000 0.040 0.000 1.366 184 I HN 0.097 nan 8.210 nan 0.000 0.466 185 N N 5.203 123.942 118.700 0.064 0.000 2.476 185 N HA 0.177 4.918 4.740 0.002 0.000 0.257 185 N C 0.214 175.773 175.510 0.082 0.000 0.970 185 N CA -0.358 52.736 53.050 0.073 0.000 0.938 185 N CB 1.433 39.949 38.487 0.049 0.000 1.144 185 N HN 0.557 nan 8.380 nan 0.000 0.500 186 C N 1.229 120.598 119.300 0.115 0.000 2.576 186 C HA 0.117 4.578 4.460 0.002 0.000 0.267 186 C C 0.811 175.843 174.990 0.071 0.000 1.364 186 C CA 0.017 59.108 59.018 0.121 0.000 1.723 186 C CB -1.417 26.452 27.740 0.214 0.000 1.778 186 C HN 0.585 nan 8.230 nan 0.000 0.572 187 T N 0.950 115.534 114.554 0.050 0.000 2.829 187 T HA 0.373 4.724 4.350 0.002 0.000 0.293 187 T C 1.315 176.029 174.700 0.025 0.000 0.970 187 T CA 1.489 63.606 62.100 0.028 0.000 1.168 187 T CB 0.286 69.167 68.868 0.022 0.000 0.911 187 T HN 0.756 nan 8.240 nan 0.000 0.535 188 G N 2.732 111.543 108.800 0.018 0.000 2.159 188 G HA2 -0.215 3.746 3.960 0.002 0.000 0.256 188 G HA3 -0.215 3.746 3.960 0.002 0.000 0.256 188 G C 0.162 175.074 174.900 0.019 0.000 0.977 188 G CA -0.188 44.922 45.100 0.015 0.000 0.652 188 G HN 0.574 nan 8.290 nan 0.000 0.531 189 K N 0.117 120.534 120.400 0.029 0.000 2.095 189 K HA 0.631 4.953 4.320 0.002 0.000 0.252 189 K C 0.613 177.236 176.600 0.038 0.000 0.977 189 K CA -0.898 55.407 56.287 0.031 0.000 0.900 189 K CB 1.467 33.995 32.500 0.047 0.000 1.060 189 K HN 0.239 nan 8.250 nan 0.000 0.449 190 I N 2.414 123.006 120.570 0.036 0.000 2.371 190 I HA 0.063 4.234 4.170 0.002 0.000 0.290 190 I C 0.404 176.563 176.117 0.071 0.000 1.028 190 I CA -0.845 60.484 61.300 0.049 0.000 1.345 190 I CB 1.134 39.163 38.000 0.049 0.000 1.407 190 I HN 0.240 nan 8.210 nan 0.000 0.501 191 V N 5.804 125.772 119.914 0.091 0.000 2.713 191 V HA 0.610 4.732 4.120 0.002 0.000 0.307 191 V C -0.427 175.739 176.094 0.120 0.000 1.052 191 V CA -0.728 61.643 62.300 0.119 0.000 0.967 191 V CB 2.153 34.077 31.823 0.169 0.000 1.019 191 V HN 0.670 nan 8.190 nan 0.000 0.459 192 I N 3.389 124.051 120.570 0.153 0.000 2.436 192 I HA 0.848 5.020 4.170 0.002 0.000 0.289 192 I C -0.028 176.225 176.117 0.226 0.000 1.010 192 I CA -0.584 60.838 61.300 0.204 0.000 1.098 192 I CB 1.313 39.450 38.000 0.229 0.000 1.266 192 I HN 1.089 nan 8.210 nan 0.000 0.434 193 A N 7.496 130.413 122.820 0.161 0.000 2.365 193 A HA 0.720 5.041 4.320 0.002 0.000 0.318 193 A C -0.733 176.836 177.584 -0.025 0.000 1.091 193 A CA -0.870 51.177 52.037 0.015 0.000 0.763 193 A CB 1.150 20.102 19.000 -0.080 0.000 1.248 193 A HN 0.821 nan 8.150 nan 0.000 0.442 194 R N 1.562 121.961 120.500 -0.169 0.000 2.441 194 R HA 0.421 4.763 4.340 0.002 0.000 0.284 194 R C -1.093 175.144 176.300 -0.104 0.000 1.070 194 R CA -0.347 55.472 56.100 -0.468 0.000 1.047 194 R CB 0.416 30.384 30.300 -0.554 0.000 1.016 194 R HN 0.652 nan 8.270 nan 0.000 0.477 195 Y N 1.084 121.342 120.300 -0.069 0.000 2.511 195 Y HA 0.253 4.805 4.550 0.003 0.000 0.347 195 Y C 1.427 177.551 175.900 0.373 0.000 1.257 195 Y CA 1.607 59.792 58.100 0.142 0.000 1.469 195 Y CB 0.956 39.468 38.460 0.087 0.000 1.353 195 Y HN 1.019 nan 8.280 nan 0.000 0.617 196 G N 1.451 110.562 108.800 0.518 0.000 2.406 196 G HA2 0.068 4.029 3.960 0.002 0.000 0.680 196 G HA3 0.068 4.029 3.960 0.002 0.000 0.680 196 G C -0.285 174.618 174.900 0.004 0.000 1.338 196 G CA -0.470 44.789 45.100 0.265 0.000 0.941 196 G HN 0.521 nan 8.290 nan 0.000 0.633 197 K N -2.563 117.741 120.400 -0.160 0.000 5.503 197 K HA -0.285 4.036 4.320 0.002 0.000 0.447 197 K C 1.127 177.700 176.600 -0.045 0.000 0.396 197 K CA 2.586 58.725 56.287 -0.247 0.000 1.904 197 K CB -2.048 30.105 32.500 -0.579 0.000 0.786 197 K HN 2.021 nan 8.250 nan 0.000 0.639 198 I N -3.437 117.158 120.570 0.042 0.000 3.074 198 I HA 0.567 4.739 4.170 0.002 0.000 0.310 198 I C 0.229 176.410 176.117 0.107 0.000 1.153 198 I CA -1.386 59.967 61.300 0.089 0.000 0.993 198 I CB 1.663 39.681 38.000 0.030 0.000 1.237 198 I HN -0.103 nan 8.210 nan 0.000 0.443 199 F N 3.812 123.572 119.950 -0.318 0.000 2.607 199 F HA 0.225 4.754 4.527 0.002 0.000 0.374 199 F C 1.838 177.555 175.800 -0.140 0.000 1.104 199 F CA -0.112 57.559 58.000 -0.550 0.000 1.296 199 F CB 0.840 39.296 39.000 -0.908 0.000 1.085 199 F HN 0.680 nan 8.300 nan 0.000 0.584 200 R N 3.241 123.313 120.500 -0.713 0.000 2.148 200 R HA -0.013 4.328 4.340 0.002 0.000 0.227 200 R C 1.844 177.718 176.300 -0.709 0.000 1.103 200 R CA 1.255 57.063 56.100 -0.487 0.000 0.983 200 R CB -1.193 29.018 30.300 -0.148 0.000 0.874 200 R HN 0.774 nan 8.270 nan 0.000 0.451 201 G N 1.128 109.044 108.800 -1.473 0.000 2.432 201 G HA2 -0.268 3.693 3.960 0.002 0.000 0.219 201 G HA3 -0.268 3.693 3.960 0.002 0.000 0.219 201 G C 0.915 175.663 174.900 -0.254 0.000 1.135 201 G CA 0.847 45.548 45.100 -0.665 0.000 0.767 201 G HN 0.420 nan 8.290 nan 0.000 0.550 202 N N 0.343 118.938 118.700 -0.176 0.000 2.188 202 N HA -0.035 4.707 4.740 0.002 0.000 0.184 202 N C 2.123 177.603 175.510 -0.051 0.000 1.018 202 N CA 1.074 54.103 53.050 -0.035 0.000 0.858 202 N CB -0.081 38.423 38.487 0.029 0.000 0.989 202 N HN 0.301 nan 8.380 nan 0.000 0.426 203 K N 0.197 120.551 120.400 -0.078 0.000 2.063 203 K HA -0.075 4.246 4.320 0.002 0.000 0.208 203 K C 1.797 178.388 176.600 -0.015 0.000 1.048 203 K CA 1.024 57.309 56.287 -0.004 0.000 0.928 203 K CB -0.205 32.271 32.500 -0.039 0.000 0.713 203 K HN 0.024 nan 8.250 nan 0.000 0.442 204 V N 1.893 121.755 119.914 -0.086 0.000 2.358 204 V HA -0.233 3.889 4.120 0.002 0.000 0.246 204 V C 2.374 178.417 176.094 -0.084 0.000 1.047 204 V CA 1.597 63.850 62.300 -0.079 0.000 1.035 204 V CB -0.409 31.356 31.823 -0.097 0.000 0.658 204 V HN 0.334 nan 8.190 nan 0.000 0.452 205 K N 0.443 120.793 120.400 -0.083 0.000 2.063 205 K HA -0.246 4.076 4.320 0.002 0.000 0.208 205 K C 1.997 178.514 176.600 -0.138 0.000 1.048 205 K CA 2.023 58.257 56.287 -0.088 0.000 0.928 205 K CB -0.183 32.278 32.500 -0.064 0.000 0.713 205 K HN 0.435 nan 8.250 nan 0.000 0.442 206 N N 0.721 119.334 118.700 -0.146 0.000 2.142 206 N HA -0.128 4.613 4.740 0.002 0.000 0.186 206 N C 1.659 176.768 175.510 -0.669 0.000 1.023 206 N CA 1.418 54.285 53.050 -0.306 0.000 0.852 206 N CB -0.463 37.974 38.487 -0.083 0.000 0.998 206 N HN 0.326 nan 8.380 nan 0.000 0.424 207 A N 0.977 123.550 122.820 -0.411 0.000 1.930 207 A HA -0.050 4.272 4.320 0.002 0.000 0.217 207 A C 2.273 179.696 177.584 -0.268 0.000 1.175 207 A CA 1.052 52.867 52.037 -0.370 0.000 0.627 207 A CB -0.427 18.564 19.000 -0.014 0.000 0.815 207 A HN 0.180 nan 8.150 nan 0.000 0.443 208 M N -0.732 118.756 119.600 -0.187 0.000 2.117 208 M HA -0.092 4.389 4.480 0.002 0.000 0.262 208 M C 2.042 178.252 176.300 -0.150 0.000 1.065 208 M CA 1.362 56.584 55.300 -0.131 0.000 1.114 208 M CB -0.462 32.081 32.600 -0.094 0.000 1.361 208 M HN 0.368 nan 8.290 nan 0.000 0.408 209 L N -0.375 120.731 121.223 -0.194 0.000 2.191 209 L HA -0.131 4.211 4.340 0.002 0.000 0.212 209 L C 2.478 179.245 176.870 -0.172 0.000 1.103 209 L CA 0.814 55.559 54.840 -0.158 0.000 0.769 209 L CB -0.616 41.352 42.059 -0.153 0.000 0.908 209 L HN 0.278 nan 8.230 nan 0.000 0.438 210 A N -0.728 121.911 122.820 -0.303 0.000 2.238 210 A HA 0.288 4.610 4.320 0.002 0.000 0.208 210 A C 1.714 179.246 177.584 -0.088 0.000 1.177 210 A CA 0.747 52.650 52.037 -0.223 0.000 0.804 210 A CB -0.323 18.396 19.000 -0.468 0.000 0.823 210 A HN 0.508 nan 8.150 nan 0.000 0.482 211 G N -1.967 106.781 108.800 -0.088 0.000 2.141 211 G HA2 0.105 4.066 3.960 0.002 0.000 0.231 211 G HA3 0.105 4.066 3.960 0.002 0.000 0.231 211 G C 0.463 175.352 174.900 -0.020 0.000 0.984 211 G CA 0.262 45.340 45.100 -0.037 0.000 0.660 211 G HN 1.540 nan 8.290 nan 0.000 0.525 212 A N 0.061 122.866 122.820 -0.025 0.000 2.448 212 A HA 0.638 4.960 4.320 0.002 0.000 0.239 212 A C 1.570 179.150 177.584 -0.006 0.000 1.080 212 A CA 0.519 52.560 52.037 0.007 0.000 0.779 212 A CB 0.107 19.125 19.000 0.029 0.000 1.026 212 A HN 1.446 nan 8.150 nan 0.000 0.499 213 I N -1.476 119.097 120.570 0.004 0.000 3.956 213 I HA 0.543 4.714 4.170 0.002 0.000 0.333 213 I C 0.650 176.761 176.117 -0.011 0.000 1.302 213 I CA 0.318 61.614 61.300 -0.006 0.000 1.122 213 I CB 0.013 38.012 38.000 -0.002 0.000 1.013 213 I HN 0.635 nan 8.210 nan 0.000 0.405 214 G N 1.583 110.383 108.800 0.001 0.000 2.579 214 G HA2 0.562 4.523 3.960 0.002 0.000 0.292 214 G HA3 0.562 4.523 3.960 0.002 0.000 0.292 214 G C -2.003 172.908 174.900 0.020 0.000 1.484 214 G CA -0.547 44.552 45.100 -0.002 0.000 0.813 214 G HN 0.176 nan 8.290 nan 0.000 0.515 215 I N 0.817 121.396 120.570 0.015 0.000 2.534 215 I HA 0.627 4.798 4.170 0.002 0.000 0.288 215 I C -1.076 175.055 176.117 0.023 0.000 1.077 215 I CA -1.278 60.039 61.300 0.028 0.000 1.051 215 I CB 1.511 39.521 38.000 0.016 0.000 1.234 215 I HN 0.415 nan 8.210 nan 0.000 0.425 216 I N 7.777 128.378 120.570 0.052 0.000 2.353 216 I HA 0.351 4.523 4.170 0.002 0.000 0.293 216 I C -0.616 175.512 176.117 0.018 0.000 0.992 216 I CA -0.505 60.833 61.300 0.064 0.000 1.268 216 I CB 1.343 39.414 38.000 0.119 0.000 1.387 216 I HN 0.399 nan 8.210 nan 0.000 0.478 217 L N 7.356 128.518 121.223 -0.102 0.000 2.325 217 L HA 0.557 4.898 4.340 0.002 0.000 0.278 217 L C -0.829 175.952 176.870 -0.148 0.000 1.023 217 L CA -0.840 53.792 54.840 -0.346 0.000 0.811 217 L CB 1.407 42.943 42.059 -0.871 0.000 1.249 217 L HN 0.544 nan 8.230 nan 0.000 0.431 218 Y N -0.268 119.923 120.300 -0.182 0.000 2.615 218 Y HA 0.606 5.157 4.550 0.002 0.000 0.341 218 Y C -0.901 175.155 175.900 0.260 0.000 1.089 218 Y CA -1.129 57.018 58.100 0.077 0.000 1.049 218 Y CB 1.626 40.156 38.460 0.116 0.000 1.296 218 Y HN 0.342 nan 8.280 nan 0.000 0.470 219 S N 2.836 118.701 115.700 0.276 0.000 2.404 219 S HA 0.124 4.595 4.470 0.002 0.000 0.309 219 S C -0.943 173.874 174.600 0.362 0.000 1.076 219 S CA -0.665 57.653 58.200 0.198 0.000 1.095 219 S CB 0.017 63.267 63.200 0.085 0.000 0.972 219 S HN 0.658 nan 8.310 nan 0.000 0.484 220 D N 3.134 123.638 120.400 0.173 0.000 2.302 220 D HA 0.186 4.828 4.640 0.002 0.000 0.248 220 D C -1.761 174.653 176.300 0.191 0.000 1.094 220 D CA -2.067 52.089 54.000 0.261 0.000 0.897 220 D CB 1.571 42.461 40.800 0.149 0.000 1.200 220 D HN 0.110 nan 8.370 nan 0.000 0.429 221 P HA -0.081 nan 4.420 nan 0.000 0.221 221 P C 0.850 178.175 177.300 0.043 0.000 1.145 221 P CA 0.902 63.921 63.100 -0.136 0.000 0.795 221 P CB 0.168 31.534 31.700 -0.557 0.000 0.775 222 A N -0.053 122.788 122.820 0.036 0.000 1.978 222 A HA -0.206 4.115 4.320 0.002 0.000 0.220 222 A C 1.844 179.468 177.584 0.067 0.000 1.170 222 A CA 1.953 54.016 52.037 0.043 0.000 0.636 222 A CB -0.926 18.078 19.000 0.008 0.000 0.810 222 A HN 0.153 nan 8.150 nan 0.000 0.448 223 D N -3.190 117.249 120.400 0.066 0.000 2.423 223 D HA 0.120 4.762 4.640 0.002 0.000 0.208 223 D C -0.085 175.982 176.300 -0.388 0.000 1.068 223 D CA 0.581 54.506 54.000 -0.124 0.000 0.860 223 D CB 0.209 40.958 40.800 -0.085 0.000 0.992 223 D HN 0.609 nan 8.370 nan 0.000 0.504 224 Y N -0.662 119.746 120.300 0.180 0.000 2.738 224 Y HA 0.253 4.804 4.550 0.002 0.000 0.249 224 Y C -0.602 175.383 175.900 0.141 0.000 1.153 224 Y CA -0.585 57.614 58.100 0.165 0.000 1.165 224 Y CB 0.719 39.291 38.460 0.187 0.000 1.235 224 Y HN -0.224 nan 8.280 nan 0.000 0.559 225 F N 1.459 121.411 119.950 0.004 0.000 2.716 225 F HA 0.764 5.292 4.527 0.002 0.000 0.354 225 F C -0.103 175.593 175.800 -0.172 0.000 1.168 225 F CA -1.323 56.614 58.000 -0.105 0.000 1.045 225 F CB 0.463 39.393 39.000 -0.116 0.000 1.311 225 F HN -0.020 nan 8.300 nan 0.000 0.477 226 A N 7.376 129.858 122.820 -0.564 0.000 2.425 226 A HA 0.508 4.829 4.320 0.002 0.000 0.249 226 A C -2.436 174.949 177.584 -0.331 0.000 1.084 226 A CA -1.286 50.501 52.037 -0.416 0.000 0.781 226 A CB -0.447 18.086 19.000 -0.777 0.000 1.019 226 A HN 0.476 nan 8.150 nan 0.000 0.490 227 P HA 0.060 nan 4.420 nan 0.000 0.268 227 P C -0.232 177.003 177.300 -0.108 0.000 1.205 227 P CA 0.402 63.488 63.100 -0.024 0.000 0.771 227 P CB 0.538 32.255 31.700 0.028 0.000 0.858 228 E N -1.033 119.126 120.200 -0.068 0.000 2.586 228 E HA -0.161 4.190 4.350 0.002 0.000 0.259 228 E C -1.148 175.326 176.600 -0.209 0.000 1.107 228 E CA 0.446 56.793 56.400 -0.088 0.000 0.754 228 E CB -2.754 26.922 29.700 -0.042 0.000 1.335 228 E HN 0.198 nan 8.360 nan 0.000 0.411 229 V N 0.801 120.470 119.914 -0.409 0.000 2.680 229 V HA 0.247 4.369 4.120 0.002 0.000 0.309 229 V C 0.601 176.330 176.094 -0.607 0.000 1.052 229 V CA -0.806 61.110 62.300 -0.640 0.000 0.908 229 V CB 1.860 32.957 31.823 -1.211 0.000 1.001 229 V HN 0.196 nan 8.190 nan 0.000 0.431 230 Q N 4.883 124.413 119.800 -0.451 0.000 2.306 230 Q HA 0.327 4.668 4.340 0.002 0.000 0.241 230 Q C -2.339 173.456 176.000 -0.343 0.000 0.948 230 Q CA -1.587 54.053 55.803 -0.271 0.000 0.886 230 Q CB 1.032 29.677 28.738 -0.155 0.000 1.227 230 Q HN 0.466 nan 8.270 nan 0.000 0.457 231 P HA -0.121 nan 4.420 nan 0.000 0.272 231 P C -1.024 176.228 177.300 -0.080 0.000 1.223 231 P CA -0.019 63.048 63.100 -0.056 0.000 0.784 231 P CB 0.355 32.135 31.700 0.135 0.000 0.923 232 Y N 4.251 124.431 120.300 -0.199 0.000 2.811 232 Y HA -0.056 4.495 4.550 0.003 0.000 0.334 232 Y C -0.842 174.973 175.900 -0.142 0.000 1.247 232 Y CA -0.305 57.701 58.100 -0.157 0.000 1.526 232 Y CB 0.190 38.478 38.460 -0.287 0.000 1.284 232 Y HN 0.357 nan 8.280 nan 0.000 0.586 233 P HA 0.047 nan 4.420 nan 0.000 0.257 233 P C 0.229 177.398 177.300 -0.217 0.000 1.241 233 P CA 0.710 63.423 63.100 -0.644 0.000 0.816 233 P CB 0.408 31.899 31.700 -0.348 0.000 1.150 234 K N -0.113 120.230 120.400 -0.095 0.000 2.217 234 K HA 0.148 4.469 4.320 0.002 0.000 0.202 234 K C 1.368 177.947 176.600 -0.035 0.000 1.051 234 K CA 0.947 57.232 56.287 -0.005 0.000 0.952 234 K CB 0.065 32.556 32.500 -0.015 0.000 0.736 234 K HN 0.192 nan 8.250 nan 0.000 0.453 235 G N -0.462 108.159 108.800 -0.298 0.000 2.870 235 G HA2 0.193 4.155 3.960 0.002 0.000 0.299 235 G HA3 0.193 4.155 3.960 0.002 0.000 0.299 235 G C -0.960 173.391 174.900 -0.914 0.000 1.324 235 G CA -0.702 43.922 45.100 -0.794 0.000 0.808 235 G HN 0.289 nan 8.290 nan 0.000 0.535 236 W N 0.555 121.279 121.300 -0.960 0.000 3.223 236 W HA 0.406 5.067 4.660 0.002 0.000 0.389 236 W C -0.498 175.908 176.519 -0.188 0.000 1.118 236 W CA -0.820 56.258 57.345 -0.444 0.000 1.902 236 W CB -0.602 28.658 29.460 -0.334 0.000 1.094 236 W HN 0.071 nan 8.180 nan 0.000 0.666 237 N N 1.729 120.157 118.700 -0.453 0.000 2.463 237 N HA 0.201 4.942 4.740 0.002 0.000 0.270 237 N C -0.683 174.801 175.510 -0.043 0.000 1.205 237 N CA -0.648 52.142 53.050 -0.433 0.000 0.974 237 N CB 1.355 39.223 38.487 -1.030 0.000 1.197 237 N HN -0.025 nan 8.380 nan 0.000 0.504 238 L N 2.799 124.101 121.223 0.132 0.000 2.361 238 L HA 0.395 4.737 4.340 0.002 0.000 0.278 238 L C -2.231 174.860 176.870 0.367 0.000 1.113 238 L CA -1.216 53.797 54.840 0.289 0.000 0.849 238 L CB 0.472 42.780 42.059 0.416 0.000 1.155 238 L HN 0.448 nan 8.230 nan 0.000 0.452 239 P HA 0.202 nan 4.420 nan 0.000 0.272 239 P C 0.460 177.650 177.300 -0.183 0.000 1.230 239 P CA -0.220 62.927 63.100 0.079 0.000 0.788 239 P CB 0.645 32.326 31.700 -0.030 0.000 0.949 240 G N 0.028 108.541 108.800 -0.478 0.000 2.679 240 G HA2 -0.136 3.825 3.960 0.002 0.000 0.212 240 G HA3 -0.136 3.825 3.960 0.002 0.000 0.212 240 G C 0.954 175.557 174.900 -0.495 0.000 1.137 240 G CA 0.811 45.197 45.100 -1.190 0.000 0.787 240 G HN 0.600 nan 8.290 nan 0.000 0.534 241 T N -2.419 112.027 114.554 -0.180 0.000 3.081 241 T HA 0.575 4.927 4.350 0.002 0.000 0.250 241 T C 1.025 175.743 174.700 0.030 0.000 1.100 241 T CA 0.389 62.472 62.100 -0.029 0.000 1.038 241 T CB 0.477 69.380 68.868 0.057 0.000 0.962 241 T HN 0.291 nan 8.240 nan 0.000 0.516 242 A N 0.979 123.826 122.820 0.045 0.000 2.306 242 A HA 0.862 5.183 4.320 0.002 0.000 0.314 242 A C 0.150 177.762 177.584 0.046 0.000 1.164 242 A CA -0.625 51.477 52.037 0.107 0.000 0.822 242 A CB 0.682 19.842 19.000 0.266 0.000 1.130 242 A HN 0.695 nan 8.150 nan 0.000 0.496 243 A N 1.453 124.279 122.820 0.010 0.000 2.380 243 A HA 0.663 4.984 4.320 0.002 0.000 0.315 243 A C -0.280 177.244 177.584 -0.100 0.000 1.101 243 A CA -0.614 51.413 52.037 -0.015 0.000 0.771 243 A CB 0.978 19.964 19.000 -0.023 0.000 1.287 243 A HN 0.881 nan 8.150 nan 0.000 0.436 244 Q N 1.625 121.337 119.800 -0.147 0.000 2.314 244 Q HA 0.334 4.676 4.340 0.002 0.000 0.257 244 Q C -0.262 175.526 176.000 -0.354 0.000 0.975 244 Q CA -0.293 55.311 55.803 -0.331 0.000 0.933 244 Q CB 0.479 28.805 28.738 -0.687 0.000 1.195 244 Q HN 0.701 nan 8.270 nan 0.000 0.426 245 R N 1.543 121.733 120.500 -0.517 0.000 2.726 245 R HA 0.688 5.029 4.340 0.002 0.000 0.272 245 R C -0.129 175.569 176.300 -1.003 0.000 1.097 245 R CA 0.523 56.078 56.100 -0.907 0.000 1.198 245 R CB 0.947 30.450 30.300 -1.329 0.000 1.114 245 R HN 0.852 nan 8.270 nan 0.000 0.550 246 G N 0.439 108.491 108.800 -1.247 0.000 2.368 246 G HA2 0.034 3.996 3.960 0.002 0.000 0.303 246 G HA3 0.034 3.996 3.960 0.002 0.000 0.303 246 G C -1.656 173.010 174.900 -0.390 0.000 1.590 246 G CA -1.074 43.644 45.100 -0.638 0.000 0.938 246 G HN 0.734 nan 8.290 nan 0.000 0.675 247 N N -1.562 117.132 118.700 -0.009 0.000 2.444 247 N HA 0.425 5.167 4.740 0.002 0.000 0.255 247 N C 0.704 176.257 175.510 0.071 0.000 1.255 247 N CA 0.161 53.264 53.050 0.088 0.000 0.933 247 N CB 1.782 40.465 38.487 0.327 0.000 1.143 247 N HN 1.233 nan 8.380 nan 0.000 0.453 248 V N -1.843 118.120 119.914 0.082 0.000 2.909 248 V HA 0.368 4.490 4.120 0.002 0.000 0.362 248 V C 0.155 176.273 176.094 0.039 0.000 1.356 248 V CA -0.641 61.633 62.300 -0.043 0.000 1.195 248 V CB -1.133 30.643 31.823 -0.080 0.000 1.256 248 V HN 0.515 nan 8.190 nan 0.000 0.567 249 L N 1.020 122.319 121.223 0.126 0.000 2.472 249 L HA 0.424 4.765 4.340 0.002 0.000 0.260 249 L C 0.619 177.557 176.870 0.113 0.000 1.209 249 L CA 0.151 55.011 54.840 0.035 0.000 0.817 249 L CB 0.359 42.356 42.059 -0.104 0.000 1.106 249 L HN 0.315 nan 8.230 nan 0.000 0.479 250 N N 1.984 120.700 118.700 0.026 0.000 2.918 250 N HA 0.228 4.969 4.740 0.002 0.000 0.270 250 N C 0.530 176.015 175.510 -0.042 0.000 1.536 250 N CA -0.072 53.000 53.050 0.037 0.000 0.877 250 N CB 1.168 39.663 38.487 0.014 0.000 1.190 250 N HN 0.548 nan 8.380 nan 0.000 0.492 251 L N 0.423 121.602 121.223 -0.073 0.000 2.240 251 L HA 0.043 4.385 4.340 0.002 0.000 0.211 251 L C 0.298 177.055 176.870 -0.188 0.000 1.106 251 L CA 0.320 55.075 54.840 -0.141 0.000 0.793 251 L CB -0.145 41.809 42.059 -0.174 0.000 0.927 251 L HN 0.368 nan 8.230 nan 0.000 0.446 252 N N 0.776 119.347 118.700 -0.214 0.000 2.727 252 N HA -0.217 4.525 4.740 0.002 0.000 0.249 252 N C 0.951 175.931 175.510 -0.884 0.000 1.048 252 N CA 1.025 53.743 53.050 -0.553 0.000 0.714 252 N CB -1.469 36.739 38.487 -0.465 0.000 0.959 252 N HN 0.612 nan 8.380 nan 0.000 0.544 253 G N -2.096 106.447 108.800 -0.428 0.000 2.175 253 G HA2 -0.265 3.697 3.960 0.002 0.000 0.244 253 G HA3 -0.265 3.697 3.960 0.002 0.000 0.244 253 G C 1.006 175.716 174.900 -0.317 0.000 0.982 253 G CA 0.848 45.785 45.100 -0.272 0.000 0.641 253 G HN 0.994 nan 8.290 nan 0.000 0.527 254 A N -0.231 122.371 122.820 -0.362 0.000 2.066 254 A HA 0.540 4.862 4.320 0.002 0.000 0.218 254 A C 2.652 179.891 177.584 -0.574 0.000 1.157 254 A CA 2.159 53.819 52.037 -0.627 0.000 0.670 254 A CB -0.506 18.267 19.000 -0.378 0.000 0.804 254 A HN 2.668 nan 8.150 nan 0.000 0.453 255 G N -0.285 108.285 108.800 -0.384 0.000 2.512 255 G HA2 -0.211 3.750 3.960 0.002 0.000 0.240 255 G HA3 -0.211 3.750 3.960 0.002 0.000 0.240 255 G C -0.254 174.486 174.900 -0.266 0.000 1.246 255 G CA 0.121 45.026 45.100 -0.325 0.000 0.919 255 G HN 0.906 nan 8.290 nan 0.000 0.577 256 D N 1.459 121.721 120.400 -0.230 0.000 2.583 256 D HA 0.277 4.918 4.640 0.002 0.000 0.232 256 D C -0.468 175.723 176.300 -0.182 0.000 1.128 256 D CA -0.281 53.618 54.000 -0.169 0.000 0.859 256 D CB 0.801 41.518 40.800 -0.138 0.000 1.169 256 D HN 0.094 nan 8.370 nan 0.000 0.481 257 P HA -0.088 nan 4.420 nan 0.000 0.221 257 P C 0.983 178.213 177.300 -0.115 0.000 1.145 257 P CA 1.021 64.016 63.100 -0.176 0.000 0.795 257 P CB 0.131 31.699 31.700 -0.220 0.000 0.775 258 L N -1.929 119.235 121.223 -0.099 0.000 2.567 258 L HA 0.124 4.465 4.340 0.002 0.000 0.225 258 L C 0.818 177.639 176.870 -0.081 0.000 1.119 258 L CA 0.887 55.670 54.840 -0.094 0.000 0.871 258 L CB -0.528 41.468 42.059 -0.105 0.000 1.036 258 L HN 0.054 nan 8.230 nan 0.000 0.459 259 T N -2.953 111.561 114.554 -0.067 0.000 3.697 259 T HA 0.285 4.636 4.350 0.002 0.000 0.260 259 T C -2.666 172.014 174.700 -0.033 0.000 0.998 259 T CA -1.458 60.641 62.100 -0.002 0.000 1.128 259 T CB 0.135 68.993 68.868 -0.018 0.000 1.082 259 T HN -0.168 nan 8.240 nan 0.000 0.541 260 P HA 0.328 nan 4.420 nan 0.000 0.263 260 P C 1.196 178.374 177.300 -0.204 0.000 1.195 260 P CA 1.147 64.099 63.100 -0.247 0.000 0.762 260 P CB 0.622 32.290 31.700 -0.054 0.000 0.799 261 G N 2.215 110.672 108.800 -0.572 0.000 2.254 261 G HA2 -0.206 3.755 3.960 0.002 0.000 0.225 261 G HA3 -0.206 3.755 3.960 0.002 0.000 0.225 261 G C -0.565 173.720 174.900 -1.024 0.000 1.003 261 G CA -0.271 44.408 45.100 -0.702 0.000 0.622 261 G HN 0.511 nan 8.290 nan 0.000 0.507 262 Y N 1.258 121.506 120.300 -0.088 0.000 2.524 262 Y HA 0.600 5.151 4.550 0.002 0.000 0.347 262 Y C -2.295 173.549 175.900 -0.093 0.000 1.005 262 Y CA -2.299 55.774 58.100 -0.045 0.000 1.025 262 Y CB 2.182 40.659 38.460 0.028 0.000 1.275 262 Y HN -0.027 nan 8.280 nan 0.000 0.460 263 P HA 0.170 nan 4.420 nan 0.000 0.271 263 P C -0.671 176.642 177.300 0.022 0.000 1.216 263 P CA -0.200 62.885 63.100 -0.026 0.000 0.776 263 P CB 1.078 32.829 31.700 0.084 0.000 0.881 264 A N 4.105 126.936 122.820 0.017 0.000 2.990 264 A HA 0.164 4.485 4.320 0.002 0.000 0.282 264 A C 0.626 178.262 177.584 0.087 0.000 1.688 264 A CA -0.140 51.916 52.037 0.030 0.000 1.391 264 A CB -0.767 18.242 19.000 0.014 0.000 1.112 264 A HN 0.304 nan 8.150 nan 0.000 0.588 265 K N 0.619 120.961 120.400 -0.097 0.000 2.419 265 K HA 0.286 4.607 4.320 0.002 0.000 0.246 265 K C 0.501 176.956 176.600 -0.241 0.000 1.037 265 K CA -0.501 55.686 56.287 -0.166 0.000 0.982 265 K CB 0.402 32.760 32.500 -0.237 0.000 1.283 265 K HN 0.446 nan 8.250 nan 0.000 0.500 266 E N 0.298 120.424 120.200 -0.125 0.000 2.110 266 E HA -0.183 4.169 4.350 0.002 0.000 0.193 266 E C 1.643 178.213 176.600 -0.050 0.000 0.988 266 E CA 1.633 58.017 56.400 -0.027 0.000 0.804 266 E CB -0.318 29.434 29.700 0.088 0.000 0.745 266 E HN 0.570 nan 8.360 nan 0.000 0.458 267 Y N -0.840 119.491 120.300 0.052 0.000 2.511 267 Y HA 0.311 4.862 4.550 0.002 0.000 0.279 267 Y C 0.368 176.302 175.900 0.056 0.000 1.157 267 Y CA -0.174 57.953 58.100 0.046 0.000 1.300 267 Y CB -0.681 37.803 38.460 0.041 0.000 1.052 267 Y HN -0.332 nan 8.280 nan 0.000 0.529 268 T N 3.121 117.385 114.554 -0.484 0.000 2.930 268 T HA 0.048 4.400 4.350 0.002 0.000 0.306 268 T C -0.489 174.206 174.700 -0.007 0.000 1.045 268 T CA -0.459 61.477 62.100 -0.274 0.000 1.134 268 T CB 0.230 68.896 68.868 -0.337 0.000 0.961 268 T HN 0.331 nan 8.240 nan 0.000 0.545 269 F N 3.173 123.105 119.950 -0.030 0.000 2.572 269 F HA 0.301 4.829 4.527 0.002 0.000 0.370 269 F C 0.586 176.376 175.800 -0.017 0.000 1.103 269 F CA -0.199 57.792 58.000 -0.015 0.000 1.286 269 F CB 0.405 39.391 39.000 -0.023 0.000 1.105 269 F HN 0.384 nan 8.300 nan 0.000 0.583 270 R N 5.939 125.880 120.500 -0.932 0.000 2.534 270 R HA 0.475 4.816 4.340 0.002 0.000 0.301 270 R C -0.939 174.746 176.300 -1.025 0.000 0.961 270 R CA -0.763 54.904 56.100 -0.722 0.000 0.871 270 R CB 1.505 31.593 30.300 -0.352 0.000 1.170 270 R HN 0.708 nan 8.270 nan 0.000 0.446 271 L N 2.274 123.144 121.223 -0.589 0.000 2.499 271 L HA 0.004 4.345 4.340 0.002 0.000 0.281 271 L C 0.136 176.880 176.870 -0.209 0.000 1.234 271 L CA 0.198 54.865 54.840 -0.289 0.000 0.839 271 L CB 0.288 42.304 42.059 -0.072 0.000 1.104 271 L HN 0.487 nan 8.230 nan 0.000 0.500 272 D N 0.897 121.233 120.400 -0.106 0.000 2.449 272 D HA -0.013 4.629 4.640 0.002 0.000 0.236 272 D C 1.156 177.430 176.300 -0.043 0.000 1.149 272 D CA -0.145 53.819 54.000 -0.061 0.000 0.878 272 D CB 1.200 41.990 40.800 -0.015 0.000 1.198 272 D HN 0.198 nan 8.370 nan 0.000 0.446 273 V N 2.210 122.107 119.914 -0.030 0.000 2.469 273 V HA -0.259 3.862 4.120 0.002 0.000 0.251 273 V C 1.925 178.020 176.094 0.001 0.000 1.064 273 V CA 1.703 63.998 62.300 -0.009 0.000 1.066 273 V CB -0.529 31.300 31.823 0.011 0.000 0.667 273 V HN 0.495 nan 8.190 nan 0.000 0.461 274 E N 0.198 120.399 120.200 0.002 0.000 2.267 274 E HA -0.190 4.161 4.350 0.002 0.000 0.197 274 E C 1.783 178.384 176.600 0.002 0.000 0.998 274 E CA 1.064 57.467 56.400 0.005 0.000 0.830 274 E CB -0.131 29.573 29.700 0.007 0.000 0.751 274 E HN 0.689 nan 8.360 nan 0.000 0.491 275 E N -0.155 120.044 120.200 -0.001 0.000 2.548 275 E HA 0.162 4.514 4.350 0.002 0.000 0.206 275 E C 0.330 176.925 176.600 -0.009 0.000 1.005 275 E CA -0.244 56.158 56.400 0.003 0.000 0.951 275 E CB 0.861 30.573 29.700 0.020 0.000 1.035 275 E HN 0.120 nan 8.360 nan 0.000 0.470 276 G N 1.317 110.104 108.800 -0.022 0.000 2.353 276 G HA2 0.099 4.061 3.960 0.002 0.000 0.239 276 G HA3 0.099 4.061 3.960 0.002 0.000 0.239 276 G C 0.384 175.248 174.900 -0.060 0.000 1.295 276 G CA -0.389 44.684 45.100 -0.046 0.000 0.884 276 G HN -0.015 nan 8.290 nan 0.000 0.537 277 V N 2.818 122.687 119.914 -0.074 0.000 2.585 277 V HA 0.409 4.530 4.120 0.002 0.000 0.296 277 V C 1.660 177.683 176.094 -0.118 0.000 1.035 277 V CA 1.603 63.858 62.300 -0.075 0.000 1.084 277 V CB 0.546 32.326 31.823 -0.072 0.000 0.953 277 V HN 1.748 nan 8.190 nan 0.000 0.483 278 G N 4.511 113.257 108.800 -0.090 0.000 2.176 278 G HA2 -0.236 3.726 3.960 0.002 0.000 0.253 278 G HA3 -0.236 3.726 3.960 0.002 0.000 0.253 278 G C 0.111 174.953 174.900 -0.096 0.000 0.979 278 G CA 0.041 45.082 45.100 -0.098 0.000 0.641 278 G HN 0.620 nan 8.290 nan 0.000 0.530 279 I N 3.566 124.084 120.570 -0.087 0.000 2.471 279 I HA 0.253 4.424 4.170 0.002 0.000 0.286 279 I C -1.073 175.036 176.117 -0.014 0.000 1.079 279 I CA -1.859 59.413 61.300 -0.046 0.000 1.398 279 I CB 0.890 38.881 38.000 -0.015 0.000 1.403 279 I HN -0.011 nan 8.210 nan 0.000 0.530 280 P HA 0.191 nan 4.420 nan 0.000 0.274 280 P C -0.390 176.904 177.300 -0.009 0.000 1.246 280 P CA -0.401 62.694 63.100 -0.009 0.000 0.795 280 P CB 0.818 32.513 31.700 -0.009 0.000 1.006 281 R N 0.542 121.028 120.500 -0.023 0.000 2.432 281 R HA 0.338 4.680 4.340 0.002 0.000 0.260 281 R C 0.651 176.930 176.300 -0.034 0.000 0.935 281 R CA -0.031 56.053 56.100 -0.025 0.000 1.080 281 R CB -0.188 30.096 30.300 -0.025 0.000 1.155 281 R HN 0.549 nan 8.270 nan 0.000 0.531 282 I N -3.126 117.421 120.570 -0.038 0.000 2.892 282 I HA 0.647 4.819 4.170 0.002 0.000 0.306 282 I C -2.943 173.142 176.117 -0.054 0.000 1.078 282 I CA -3.386 57.887 61.300 -0.046 0.000 1.032 282 I CB 2.323 40.299 38.000 -0.039 0.000 1.229 282 I HN -0.317 nan 8.210 nan 0.000 0.435 283 P HA 0.324 nan 4.420 nan 0.000 0.275 283 P C -1.113 176.163 177.300 -0.040 0.000 1.228 283 P CA -0.213 62.837 63.100 -0.084 0.000 0.786 283 P CB 1.118 32.737 31.700 -0.135 0.000 0.927 284 V N 2.395 122.299 119.914 -0.017 0.000 2.733 284 V HA 0.502 4.623 4.120 0.002 0.000 0.306 284 V C -0.902 175.238 176.094 0.076 0.000 1.084 284 V CA -0.384 61.917 62.300 0.001 0.000 0.905 284 V CB 1.770 33.572 31.823 -0.035 0.000 1.010 284 V HN 0.646 nan 8.190 nan 0.000 0.424 285 H N 5.057 124.096 119.070 -0.051 0.000 3.046 285 H HA 0.734 5.291 4.556 0.002 0.000 0.363 285 H C -3.133 172.183 175.328 -0.019 0.000 1.203 285 H CA -1.195 54.839 56.048 -0.025 0.000 1.169 285 H CB 3.690 33.449 29.762 -0.005 0.000 1.851 285 H HN 0.494 nan 8.280 nan 0.000 0.546 286 P HA 0.383 nan 4.420 nan 0.000 0.301 286 P C -1.134 176.055 177.300 -0.186 0.000 1.350 286 P CA -0.714 62.248 63.100 -0.232 0.000 0.941 286 P CB 2.127 33.757 31.700 -0.118 0.000 1.128 287 I N -1.320 119.270 120.570 0.034 0.000 3.042 287 I HA 0.838 5.009 4.170 0.002 0.000 0.310 287 I C -0.051 176.168 176.117 0.171 0.000 1.117 287 I CA -1.244 60.118 61.300 0.104 0.000 1.003 287 I CB 2.202 40.299 38.000 0.162 0.000 1.228 287 I HN 0.316 nan 8.210 nan 0.000 0.443 288 G N 1.214 110.093 108.800 0.130 0.000 2.557 288 G HA2 0.258 4.219 3.960 0.002 0.000 0.292 288 G HA3 0.258 4.219 3.960 0.002 0.000 0.292 288 G C -0.016 174.996 174.900 0.187 0.000 1.237 288 G CA -0.321 44.849 45.100 0.116 0.000 0.978 288 G HN 0.886 nan 8.290 nan 0.000 0.498 289 Y N -1.460 118.959 120.300 0.200 0.000 2.516 289 Y HA 0.092 4.644 4.550 0.002 0.000 0.291 289 Y C 2.198 178.142 175.900 0.073 0.000 1.131 289 Y CA 0.538 58.746 58.100 0.180 0.000 1.281 289 Y CB -0.242 38.349 38.460 0.218 0.000 1.013 289 Y HN 0.256 nan 8.280 nan 0.000 0.554 290 N N 1.312 120.005 118.700 -0.012 0.000 2.106 290 N HA -0.164 4.578 4.740 0.002 0.000 0.188 290 N C 1.165 176.713 175.510 0.064 0.000 1.029 290 N CA 1.631 54.701 53.050 0.034 0.000 0.848 290 N CB -0.451 38.027 38.487 -0.015 0.000 1.007 290 N HN 0.450 nan 8.380 nan 0.000 0.423 291 D N 0.656 121.124 120.400 0.113 0.000 2.117 291 D HA -0.008 4.634 4.640 0.002 0.000 0.198 291 D C 1.790 178.134 176.300 0.074 0.000 0.982 291 D CA 0.983 55.108 54.000 0.209 0.000 0.828 291 D CB -0.306 40.664 40.800 0.284 0.000 0.967 291 D HN 0.214 nan 8.370 nan 0.000 0.464 292 A N 0.860 123.684 122.820 0.007 0.000 1.933 292 A HA -0.221 4.100 4.320 0.002 0.000 0.218 292 A C 2.099 179.521 177.584 -0.270 0.000 1.175 292 A CA 1.735 53.640 52.037 -0.221 0.000 0.628 292 A CB -0.588 18.073 19.000 -0.566 0.000 0.814 292 A HN 0.255 nan 8.150 nan 0.000 0.444 293 E N -0.295 119.805 120.200 -0.168 0.000 2.118 293 E HA -0.177 4.174 4.350 0.002 0.000 0.195 293 E C 1.780 178.249 176.600 -0.220 0.000 0.992 293 E CA 1.269 57.551 56.400 -0.196 0.000 0.804 293 E CB -0.120 29.521 29.700 -0.099 0.000 0.741 293 E HN 0.550 nan 8.360 nan 0.000 0.458 294 I N 0.861 121.298 120.570 -0.221 0.000 2.226 294 I HA -0.252 3.919 4.170 0.002 0.000 0.245 294 I C 2.366 178.386 176.117 -0.162 0.000 1.100 294 I CA 1.105 62.228 61.300 -0.295 0.000 1.374 294 I CB -0.854 36.724 38.000 -0.704 0.000 1.057 294 I HN 0.278 nan 8.210 nan 0.000 0.413 295 L N -0.131 121.009 121.223 -0.140 0.000 2.156 295 L HA -0.128 4.213 4.340 0.002 0.000 0.208 295 L C 2.470 179.390 176.870 0.084 0.000 1.095 295 L CA 0.882 55.734 54.840 0.020 0.000 0.770 295 L CB -0.286 41.804 42.059 0.052 0.000 0.914 295 L HN 0.189 nan 8.230 nan 0.000 0.439 296 L N -0.939 120.218 121.223 -0.110 0.000 2.270 296 L HA -0.054 4.288 4.340 0.002 0.000 0.210 296 L C 2.670 179.427 176.870 -0.188 0.000 1.104 296 L CA 0.377 55.103 54.840 -0.190 0.000 0.804 296 L CB -0.368 41.406 42.059 -0.475 0.000 0.937 296 L HN 0.210 nan 8.230 nan 0.000 0.450 297 R N 0.349 120.698 120.500 -0.251 0.000 2.096 297 R HA -0.221 4.120 4.340 0.002 0.000 0.240 297 R C 1.292 177.300 176.300 -0.485 0.000 1.139 297 R CA 1.955 57.779 56.100 -0.460 0.000 0.952 297 R CB -0.173 29.732 30.300 -0.658 0.000 0.854 297 R HN 0.276 nan 8.270 nan 0.000 0.436 298 Y N 0.364 120.651 120.300 -0.021 0.000 2.571 298 Y HA 0.271 4.822 4.550 0.002 0.000 0.275 298 Y C 0.089 176.168 175.900 0.297 0.000 1.179 298 Y CA -0.432 57.696 58.100 0.048 0.000 1.242 298 Y CB 0.217 38.601 38.460 -0.126 0.000 1.126 298 Y HN -0.017 nan 8.280 nan 0.000 0.524 299 L N 0.406 121.838 121.223 0.348 0.000 2.525 299 L HA 0.098 4.440 4.340 0.002 0.000 0.278 299 L C 1.173 178.128 176.870 0.143 0.000 1.218 299 L CA 0.399 55.384 54.840 0.241 0.000 0.878 299 L CB 0.358 42.477 42.059 0.100 0.000 1.127 299 L HN 0.372 nan 8.230 nan 0.000 0.492 300 G N 1.108 109.970 108.800 0.104 0.000 2.940 300 G HA2 0.660 4.621 3.960 0.002 0.000 0.164 300 G HA3 0.660 4.621 3.960 0.002 0.000 0.164 300 G C 0.200 175.125 174.900 0.041 0.000 1.326 300 G CA -0.048 45.097 45.100 0.074 0.000 1.020 300 G HN 1.004 nan 8.290 nan 0.000 0.586 301 G N -0.405 108.413 108.800 0.030 0.000 2.539 301 G HA2 -0.100 3.861 3.960 0.002 0.000 0.256 301 G HA3 -0.100 3.861 3.960 0.002 0.000 0.256 301 G C 0.528 175.438 174.900 0.017 0.000 1.233 301 G CA 0.293 45.404 45.100 0.018 0.000 0.936 301 G HN 1.661 nan 8.290 nan 0.000 0.571 302 I N -0.294 120.281 120.570 0.008 0.000 2.696 302 I HA 0.630 4.801 4.170 0.002 0.000 0.284 302 I C 0.988 177.109 176.117 0.006 0.000 1.129 302 I CA -0.280 61.017 61.300 -0.005 0.000 1.410 302 I CB 0.728 38.709 38.000 -0.032 0.000 1.399 302 I HN 1.432 nan 8.210 nan 0.000 0.579 303 A N 6.246 129.067 122.820 0.001 0.000 2.448 303 A HA 0.398 4.720 4.320 0.002 0.000 0.239 303 A C -2.086 175.503 177.584 0.008 0.000 1.080 303 A CA -1.057 50.989 52.037 0.016 0.000 0.779 303 A CB -0.866 18.138 19.000 0.007 0.000 1.026 303 A HN 0.741 nan 8.150 nan 0.000 0.499 304 P HA 0.060 nan 4.420 nan 0.000 0.266 304 P C -2.059 175.203 177.300 -0.063 0.000 1.195 304 P CA -0.833 62.309 63.100 0.071 0.000 0.768 304 P CB 0.143 31.970 31.700 0.211 0.000 0.838 305 P HA -0.041 nan 4.420 nan 0.000 0.227 305 P C -0.187 177.039 177.300 -0.125 0.000 1.161 305 P CA 1.259 64.201 63.100 -0.264 0.000 0.788 305 P CB 0.263 31.655 31.700 -0.513 0.000 0.822 306 D N -3.246 117.127 120.400 -0.044 0.000 2.725 306 D HA 0.138 4.779 4.640 0.002 0.000 0.292 306 D C 0.396 176.772 176.300 0.128 0.000 1.288 306 D CA -0.865 53.164 54.000 0.050 0.000 0.784 306 D CB 0.442 41.279 40.800 0.061 0.000 1.308 306 D HN -0.387 nan 8.370 nan 0.000 0.429 307 K N -0.419 120.040 120.400 0.099 0.000 2.280 307 K HA -0.085 4.237 4.320 0.002 0.000 0.202 307 K C 1.624 178.289 176.600 0.108 0.000 1.047 307 K CA 1.435 57.772 56.287 0.083 0.000 0.942 307 K CB -0.212 32.317 32.500 0.049 0.000 0.739 307 K HN 0.501 nan 8.250 nan 0.000 0.457 308 S N -0.638 115.168 115.700 0.177 0.000 2.515 308 S HA -0.114 4.357 4.470 0.002 0.000 0.231 308 S C 1.193 175.886 174.600 0.155 0.000 0.987 308 S CA 0.165 58.466 58.200 0.169 0.000 0.936 308 S CB -0.241 63.074 63.200 0.192 0.000 0.766 308 S HN 0.368 nan 8.310 nan 0.000 0.528 309 W N 2.076 123.376 121.300 0.001 0.000 3.077 309 W HA 0.432 5.094 4.660 0.002 0.000 0.266 309 W C 0.451 176.947 176.519 -0.038 0.000 1.300 309 W CA -0.642 56.718 57.345 0.025 0.000 1.586 309 W CB 0.210 29.726 29.460 0.093 0.000 1.103 309 W HN 0.108 nan 8.180 nan 0.000 0.652 310 K N 0.346 120.720 120.400 -0.043 0.000 2.211 310 K HA 0.471 4.793 4.320 0.002 0.000 0.275 310 K C 0.765 176.943 176.600 -0.703 0.000 1.024 310 K CA -0.310 55.655 56.287 -0.537 0.000 0.887 310 K CB 1.601 33.939 32.500 -0.270 0.000 1.084 310 K HN -0.091 nan 8.250 nan 0.000 0.463 311 G N 0.913 108.875 108.800 -1.396 0.000 2.582 311 G HA2 0.318 4.280 3.960 0.002 0.000 0.232 311 G HA3 0.318 4.280 3.960 0.002 0.000 0.232 311 G C 0.321 175.043 174.900 -0.296 0.000 1.458 311 G CA -0.131 44.609 45.100 -0.600 0.000 1.062 311 G HN 0.587 nan 8.290 nan 0.000 0.566 312 A N -1.405 121.407 122.820 -0.013 0.000 2.390 312 A HA 0.519 4.840 4.320 0.002 0.000 0.232 312 A C 0.953 178.565 177.584 0.048 0.000 1.233 312 A CA -0.269 51.767 52.037 -0.001 0.000 0.907 312 A CB -0.208 18.760 19.000 -0.053 0.000 0.967 312 A HN 0.334 nan 8.150 nan 0.000 0.512 313 L N 0.026 121.360 121.223 0.184 0.000 2.464 313 L HA 0.136 4.477 4.340 0.002 0.000 0.264 313 L C 0.814 177.719 176.870 0.058 0.000 1.199 313 L CA -0.501 54.382 54.840 0.071 0.000 0.818 313 L CB 0.244 42.317 42.059 0.023 0.000 1.102 313 L HN 0.248 nan 8.230 nan 0.000 0.473 314 N N 1.520 120.199 118.700 -0.036 0.000 3.243 314 N HA 0.205 4.947 4.740 0.002 0.000 0.310 314 N C -0.977 174.461 175.510 -0.119 0.000 1.313 314 N CA -0.249 52.769 53.050 -0.054 0.000 1.204 314 N CB -0.283 38.164 38.487 -0.066 0.000 1.483 314 N HN 0.392 nan 8.380 nan 0.000 0.553 315 V N -2.171 117.656 119.914 -0.146 0.000 3.160 315 V HA 0.544 4.665 4.120 0.002 0.000 0.310 315 V C 1.120 177.103 176.094 -0.185 0.000 1.181 315 V CA -0.338 61.795 62.300 -0.278 0.000 1.047 315 V CB 1.102 32.630 31.823 -0.493 0.000 1.068 315 V HN 0.171 nan 8.190 nan 0.000 0.441 316 S N -0.412 115.179 115.700 -0.181 0.000 2.461 316 S HA -0.020 4.451 4.470 0.002 0.000 0.228 316 S C 0.847 175.505 174.600 0.097 0.000 1.005 316 S CA 1.192 59.376 58.200 -0.027 0.000 0.942 316 S CB -0.977 62.202 63.200 -0.034 0.000 0.776 316 S HN 1.476 nan 8.310 nan 0.000 0.514 317 Y N 1.353 121.581 120.300 -0.119 0.000 4.177 317 Y HA -0.230 4.322 4.550 0.002 0.000 0.227 317 Y C 0.731 176.638 175.900 0.012 0.000 1.154 317 Y CA 0.406 58.416 58.100 -0.150 0.000 1.887 317 Y CB -2.713 35.693 38.460 -0.090 0.000 1.594 317 Y HN 0.237 nan 8.280 nan 0.000 0.668 318 S N 0.631 116.373 115.700 0.069 0.000 2.580 318 S HA 0.183 4.655 4.470 0.002 0.000 0.266 318 S C 1.438 176.136 174.600 0.163 0.000 1.354 318 S CA -0.152 58.109 58.200 0.102 0.000 1.008 318 S CB 0.725 63.956 63.200 0.051 0.000 0.898 318 S HN 0.260 nan 8.310 nan 0.000 0.555 319 I N 0.860 121.526 120.570 0.159 0.000 3.035 319 I HA 0.183 4.355 4.170 0.002 0.000 0.271 319 I C 1.560 177.762 176.117 0.141 0.000 1.190 319 I CA 1.078 62.507 61.300 0.215 0.000 1.472 319 I CB -2.067 36.001 38.000 0.113 0.000 1.116 319 I HN 0.912 nan 8.210 nan 0.000 0.443 320 G N 2.369 111.209 108.800 0.066 0.000 2.693 320 G HA2 -0.169 3.793 3.960 0.002 0.000 0.226 320 G HA3 -0.169 3.793 3.960 0.002 0.000 0.226 320 G C -2.632 172.273 174.900 0.008 0.000 1.354 320 G CA -0.641 44.462 45.100 0.005 0.000 0.873 320 G HN 0.126 nan 8.290 nan 0.000 0.562 321 P HA 0.530 nan 4.420 nan 0.000 0.277 321 P C 0.650 177.884 177.300 -0.110 0.000 1.240 321 P CA 1.553 64.616 63.100 -0.062 0.000 0.798 321 P CB 0.993 32.669 31.700 -0.040 0.000 0.979 322 G N 0.684 109.333 108.800 -0.252 0.000 2.707 322 G HA2 -0.085 3.876 3.960 0.002 0.000 0.686 322 G HA3 -0.085 3.876 3.960 0.002 0.000 0.686 322 G C -1.220 173.482 174.900 -0.331 0.000 1.315 322 G CA -0.925 43.990 45.100 -0.309 0.000 0.832 322 G HN 0.328 nan 8.290 nan 0.000 0.573 323 F N 0.356 120.361 119.950 0.092 0.000 2.483 323 F HA 0.821 5.350 4.527 0.003 0.000 0.329 323 F C 1.086 176.933 175.800 0.079 0.000 1.064 323 F CA 0.145 58.215 58.000 0.117 0.000 0.986 323 F CB 2.747 41.848 39.000 0.169 0.000 1.218 323 F HN 0.814 nan 8.300 nan 0.000 0.484 324 T N -2.306 112.435 114.554 0.312 0.000 2.916 324 T HA 0.561 4.912 4.350 0.002 0.000 0.305 324 T C 0.160 174.949 174.700 0.149 0.000 1.119 324 T CA -0.371 61.829 62.100 0.168 0.000 1.008 324 T CB 1.469 70.412 68.868 0.124 0.000 1.129 324 T HN 1.284 nan 8.240 nan 0.000 0.480 325 G N 0.713 109.543 108.800 0.051 0.000 2.159 325 G HA2 -0.187 3.775 3.960 0.002 0.000 0.256 325 G HA3 -0.187 3.775 3.960 0.002 0.000 0.256 325 G C 0.186 174.953 174.900 -0.222 0.000 0.977 325 G CA 0.466 45.576 45.100 0.017 0.000 0.652 325 G HN 1.262 nan 8.290 nan 0.000 0.531 329 F N 3.596 123.398 119.950 -0.247 0.000 2.438 329 F HA 0.650 5.179 4.527 0.002 0.000 0.360 329 F C 1.592 177.362 175.800 -0.049 0.000 1.118 329 F CA -0.954 56.846 58.000 -0.333 0.000 1.164 329 F CB 0.942 39.452 39.000 -0.817 0.000 1.131 329 F HN 0.245 nan 8.300 nan 0.000 0.527 330 R N 1.387 122.021 120.500 0.224 0.000 2.197 330 R HA 0.206 4.547 4.340 0.002 0.000 0.188 330 R C -0.085 176.420 176.300 0.342 0.000 1.015 330 R CA 0.493 56.761 56.100 0.281 0.000 1.132 330 R CB 0.679 31.045 30.300 0.110 0.000 1.134 330 R HN 0.309 nan 8.270 nan 0.000 0.560 331 K N 0.633 121.189 120.400 0.261 0.000 2.482 331 K HA 0.300 4.622 4.320 0.002 0.000 0.257 331 K C -1.414 175.320 176.600 0.224 0.000 0.969 331 K CA -0.670 55.746 56.287 0.215 0.000 0.842 331 K CB 2.537 35.100 32.500 0.105 0.000 1.359 331 K HN -0.046 nan 8.250 nan 0.000 0.441 332 V N 1.673 121.701 119.914 0.191 0.000 2.547 332 V HA 0.537 4.659 4.120 0.002 0.000 0.299 332 V C -0.759 175.398 176.094 0.104 0.000 1.040 332 V CA -0.593 61.804 62.300 0.162 0.000 0.913 332 V CB 1.289 33.226 31.823 0.191 0.000 0.992 332 V HN 0.608 nan 8.190 nan 0.000 0.449 333 R N 5.693 126.253 120.500 0.099 0.000 2.670 333 R HA 0.680 5.022 4.340 0.002 0.000 0.289 333 R C -0.992 175.340 176.300 0.054 0.000 0.965 333 R CA -0.652 55.495 56.100 0.078 0.000 0.899 333 R CB 2.280 32.640 30.300 0.101 0.000 1.173 333 R HN 0.669 nan 8.270 nan 0.000 0.456 334 M N 1.124 120.727 119.600 0.005 0.000 2.578 334 M HA 0.331 4.813 4.480 0.002 0.000 0.321 334 M C -0.792 175.425 176.300 -0.139 0.000 1.182 334 M CA -0.717 54.542 55.300 -0.069 0.000 0.965 334 M CB 2.085 34.647 32.600 -0.062 0.000 1.694 334 M HN 0.582 nan 8.290 nan 0.000 0.461 335 H N 0.911 119.705 119.070 -0.459 0.000 3.177 335 H HA 0.627 5.184 4.556 0.003 0.000 0.314 335 H C -2.165 172.913 175.328 -0.417 0.000 1.059 335 H CA -0.478 55.279 56.048 -0.485 0.000 1.515 335 H CB 1.009 30.117 29.762 -1.090 0.000 1.672 335 H HN 0.407 nan 8.280 nan 0.000 0.514 336 V N 6.297 125.881 119.914 -0.549 0.000 2.525 336 V HA 0.213 4.334 4.120 0.002 0.000 0.299 336 V C -1.006 174.611 176.094 -0.795 0.000 1.034 336 V CA -0.563 61.458 62.300 -0.465 0.000 0.863 336 V CB 1.217 32.848 31.823 -0.321 0.000 0.999 336 V HN 0.785 nan 8.190 nan 0.000 0.423 337 Y N 2.662 122.855 120.300 -0.178 0.000 2.614 337 Y HA 0.358 4.909 4.550 0.002 0.000 0.296 337 Y C 0.871 176.738 175.900 -0.055 0.000 0.942 337 Y CA -0.835 57.186 58.100 -0.132 0.000 1.111 337 Y CB 0.555 38.916 38.460 -0.165 0.000 1.182 337 Y HN 0.572 nan 8.280 nan 0.000 0.624 338 N N 1.657 120.358 118.700 0.002 0.000 2.453 338 N HA 0.091 4.832 4.740 0.002 0.000 0.253 338 N C -0.495 175.040 175.510 0.041 0.000 1.252 338 N CA 0.219 53.288 53.050 0.030 0.000 0.917 338 N CB 1.388 39.918 38.487 0.071 0.000 1.117 338 N HN 0.317 nan 8.380 nan 0.000 0.442 339 I N 1.579 122.180 120.570 0.051 0.000 2.377 339 I HA 0.230 4.402 4.170 0.002 0.000 0.293 339 I C -0.900 175.248 176.117 0.052 0.000 0.987 339 I CA -0.597 60.741 61.300 0.063 0.000 1.185 339 I CB 0.877 38.920 38.000 0.072 0.000 1.341 339 I HN 0.294 nan 8.210 nan 0.000 0.455 340 N N 7.870 126.600 118.700 0.050 0.000 2.438 340 N HA 0.400 5.141 4.740 0.002 0.000 0.282 340 N C -1.088 174.460 175.510 0.063 0.000 1.037 340 N CA -0.343 52.736 53.050 0.047 0.000 0.942 340 N CB 1.520 40.073 38.487 0.111 0.000 1.136 340 N HN 0.515 nan 8.380 nan 0.000 0.481 341 K N 0.332 120.769 120.400 0.061 0.000 2.523 341 K HA 0.473 4.795 4.320 0.002 0.000 0.257 341 K C -0.942 175.687 176.600 0.048 0.000 0.932 341 K CA -0.697 55.628 56.287 0.062 0.000 0.812 341 K CB 1.288 33.834 32.500 0.077 0.000 1.326 341 K HN 0.264 nan 8.250 nan 0.000 0.433 342 I N 2.574 123.161 120.570 0.028 0.000 2.598 342 I HA 0.076 4.247 4.170 0.002 0.000 0.284 342 I C -0.421 175.700 176.117 0.008 0.000 1.140 342 I CA 0.502 61.808 61.300 0.010 0.000 1.420 342 I CB 0.911 38.907 38.000 -0.007 0.000 1.387 342 I HN 0.650 nan 8.210 nan 0.000 0.553 343 T N 5.854 120.407 114.554 -0.002 0.000 2.912 343 T HA 0.343 4.695 4.350 0.002 0.000 0.299 343 T C -0.327 174.349 174.700 -0.040 0.000 1.052 343 T CA -0.787 61.310 62.100 -0.004 0.000 0.996 343 T CB 1.817 70.707 68.868 0.037 0.000 1.070 343 T HN 0.505 nan 8.240 nan 0.000 0.465 344 R N 2.597 123.051 120.500 -0.077 0.000 2.438 344 R HA 0.583 4.924 4.340 0.002 0.000 0.287 344 R C -0.164 176.007 176.300 -0.216 0.000 1.077 344 R CA -0.347 55.641 56.100 -0.188 0.000 1.034 344 R CB 0.124 30.244 30.300 -0.300 0.000 0.993 344 R HN 0.712 nan 8.270 nan 0.000 0.459 345 I N 0.334 120.754 120.570 -0.250 0.000 2.846 345 I HA 0.501 4.672 4.170 0.002 0.000 0.307 345 I C -1.498 174.469 176.117 -0.250 0.000 1.053 345 I CA -1.247 59.991 61.300 -0.102 0.000 1.050 345 I CB 2.027 40.073 38.000 0.076 0.000 1.239 345 I HN 0.519 nan 8.210 nan 0.000 0.439 346 Y N 1.976 122.424 120.300 0.246 0.000 2.331 346 Y HA 0.463 5.015 4.550 0.003 0.000 0.326 346 Y C -0.463 175.576 175.900 0.231 0.000 1.020 346 Y CA -0.816 57.433 58.100 0.249 0.000 1.136 346 Y CB 1.476 40.100 38.460 0.272 0.000 1.157 346 Y HN 0.502 nan 8.280 nan 0.000 0.444 347 N N 1.700 120.627 118.700 0.379 0.000 2.509 347 N HA 0.483 5.225 4.740 0.002 0.000 0.287 347 N C -0.966 174.636 175.510 0.153 0.000 1.121 347 N CA -0.525 52.708 53.050 0.304 0.000 0.977 347 N CB 2.121 40.861 38.487 0.422 0.000 1.167 347 N HN 0.273 nan 8.380 nan 0.000 0.476 348 V N 1.511 121.423 119.914 -0.003 0.000 2.394 348 V HA 0.411 4.533 4.120 0.002 0.000 0.282 348 V C 0.039 176.144 176.094 0.018 0.000 1.031 348 V CA -0.702 61.548 62.300 -0.084 0.000 0.881 348 V CB 1.460 33.034 31.823 -0.414 0.000 0.982 348 V HN 0.277 nan 8.190 nan 0.000 0.451 349 V N 3.993 123.975 119.914 0.114 0.000 2.483 349 V HA 0.869 4.991 4.120 0.002 0.000 0.297 349 V C 0.504 176.730 176.094 0.222 0.000 1.027 349 V CA -0.147 62.200 62.300 0.077 0.000 0.855 349 V CB 1.662 33.453 31.823 -0.052 0.000 0.995 349 V HN 0.999 nan 8.190 nan 0.000 0.424 350 G N 2.452 111.366 108.800 0.189 0.000 2.630 350 G HA2 0.869 4.830 3.960 0.002 0.000 0.296 350 G HA3 0.869 4.830 3.960 0.002 0.000 0.296 350 G C -0.614 174.308 174.900 0.036 0.000 1.285 350 G CA -0.336 44.825 45.100 0.102 0.000 0.958 350 G HN 0.811 nan 8.290 nan 0.000 0.479 351 T N -2.201 112.383 114.554 0.050 0.000 2.900 351 T HA 0.685 5.036 4.350 0.002 0.000 0.303 351 T C -0.924 173.819 174.700 0.071 0.000 1.142 351 T CA -0.654 61.483 62.100 0.061 0.000 1.007 351 T CB 1.755 70.642 68.868 0.033 0.000 1.156 351 T HN 0.431 nan 8.240 nan 0.000 0.490 352 I N 2.063 122.676 120.570 0.073 0.000 2.411 352 I HA 0.400 4.571 4.170 0.002 0.000 0.284 352 I C 0.294 176.405 176.117 -0.011 0.000 1.012 352 I CA -0.966 60.358 61.300 0.039 0.000 1.119 352 I CB 1.549 39.594 38.000 0.074 0.000 1.261 352 I HN 0.504 nan 8.210 nan 0.000 0.448 353 R N 3.537 124.033 120.500 -0.007 0.000 2.594 353 R HA 0.414 4.755 4.340 0.002 0.000 0.272 353 R C 0.612 176.879 176.300 -0.054 0.000 1.074 353 R CA -0.344 55.754 56.100 -0.004 0.000 1.105 353 R CB 0.514 30.822 30.300 0.014 0.000 1.008 353 R HN 0.736 nan 8.270 nan 0.000 0.472 354 G N 0.073 108.849 108.800 -0.040 0.000 2.503 354 G HA2 0.078 4.040 3.960 0.002 0.000 0.257 354 G HA3 0.078 4.040 3.960 0.002 0.000 0.257 354 G C 0.223 175.071 174.900 -0.087 0.000 1.214 354 G CA -0.623 44.425 45.100 -0.087 0.000 0.839 354 G HN 0.559 nan 8.290 nan 0.000 0.559 355 S N 0.327 115.952 115.700 -0.126 0.000 2.478 355 S HA 0.005 4.477 4.470 0.002 0.000 0.222 355 S C 1.980 176.538 174.600 -0.069 0.000 1.008 355 S CA 0.298 58.437 58.200 -0.100 0.000 0.928 355 S CB 0.224 63.344 63.200 -0.134 0.000 0.781 355 S HN 0.355 nan 8.310 nan 0.000 0.518 356 V N 0.436 120.309 119.914 -0.068 0.000 2.948 356 V HA 0.232 4.353 4.120 0.002 0.000 0.234 356 V C 0.215 176.283 176.094 -0.043 0.000 1.205 356 V CA 0.323 62.593 62.300 -0.050 0.000 1.234 356 V CB 0.098 31.892 31.823 -0.049 0.000 1.020 356 V HN 0.239 nan 8.190 nan 0.000 0.491 357 E N 1.714 121.884 120.200 -0.050 0.000 3.167 357 E HA 0.215 4.567 4.350 0.002 0.000 0.212 357 E C -2.035 174.539 176.600 -0.042 0.000 1.143 357 E CA -1.532 54.838 56.400 -0.049 0.000 1.002 357 E CB 1.224 30.889 29.700 -0.059 0.000 1.315 357 E HN 0.395 nan 8.360 nan 0.000 0.422 358 P HA -0.153 nan 4.420 nan 0.000 0.226 358 P C 0.467 177.792 177.300 0.042 0.000 1.153 358 P CA 1.033 64.147 63.100 0.022 0.000 0.777 358 P CB 0.197 31.914 31.700 0.029 0.000 0.794 359 D N -0.816 119.555 120.400 -0.048 0.000 2.434 359 D HA 0.030 4.672 4.640 0.002 0.000 0.232 359 D C 0.239 176.296 176.300 -0.404 0.000 1.166 359 D CA -0.153 53.745 54.000 -0.171 0.000 0.830 359 D CB -0.048 40.690 40.800 -0.104 0.000 0.960 359 D HN -0.024 nan 8.370 nan 0.000 0.497 360 R N 0.515 120.812 120.500 -0.338 0.000 2.621 360 R HA 0.378 4.720 4.340 0.002 0.000 0.292 360 R C -1.266 174.932 176.300 -0.168 0.000 0.969 360 R CA -0.672 55.228 56.100 -0.333 0.000 0.887 360 R CB 1.355 31.568 30.300 -0.145 0.000 1.180 360 R HN 0.014 nan 8.270 nan 0.000 0.450 361 Y N 0.199 120.523 120.300 0.040 0.000 2.409 361 Y HA 0.482 5.034 4.550 0.002 0.000 0.343 361 Y C 0.170 176.083 175.900 0.022 0.000 0.973 361 Y CA -1.150 56.972 58.100 0.037 0.000 1.064 361 Y CB 1.932 40.455 38.460 0.105 0.000 1.207 361 Y HN 0.104 nan 8.280 nan 0.000 0.452 362 V N 5.117 125.101 119.914 0.117 0.000 2.448 362 V HA 0.461 4.582 4.120 0.002 0.000 0.295 362 V C -0.243 175.786 176.094 -0.108 0.000 1.025 362 V CA -0.843 61.465 62.300 0.013 0.000 0.859 362 V CB 1.550 33.336 31.823 -0.062 0.000 0.988 362 V HN 0.584 nan 8.190 nan 0.000 0.431 363 I N 5.634 126.147 120.570 -0.096 0.000 2.336 363 I HA 0.426 4.597 4.170 0.002 0.000 0.292 363 I C -0.653 175.180 176.117 -0.473 0.000 0.991 363 I CA -0.598 60.556 61.300 -0.244 0.000 1.227 363 I CB 1.637 39.608 38.000 -0.048 0.000 1.366 363 I HN 0.394 nan 8.210 nan 0.000 0.466 364 L N 6.718 127.605 121.223 -0.560 0.000 2.318 364 L HA 0.799 5.140 4.340 0.002 0.000 0.277 364 L C -0.171 176.415 176.870 -0.473 0.000 1.008 364 L CA 0.179 54.703 54.840 -0.527 0.000 0.846 364 L CB 1.059 42.828 42.059 -0.483 0.000 1.220 364 L HN 0.623 nan 8.230 nan 0.000 0.423 365 G N 2.372 110.888 108.800 -0.474 0.000 2.571 365 G HA2 0.760 4.721 3.960 0.002 0.000 0.304 365 G HA3 0.760 4.721 3.960 0.002 0.000 0.304 365 G C -1.069 173.826 174.900 -0.008 0.000 1.314 365 G CA -0.371 44.535 45.100 -0.322 0.000 0.975 365 G HN 0.906 nan 8.290 nan 0.000 0.485 366 G N -0.172 108.582 108.800 -0.076 0.000 2.718 366 G HA2 0.608 4.570 3.960 0.002 0.000 0.295 366 G HA3 0.608 4.570 3.960 0.002 0.000 0.295 366 G C -0.909 174.150 174.900 0.266 0.000 1.421 366 G CA -0.787 44.433 45.100 0.200 0.000 0.902 366 G HN 1.159 nan 8.290 nan 0.000 0.501 367 H N -1.026 118.236 119.070 0.319 0.000 2.547 367 H HA 0.645 5.203 4.556 0.003 0.000 0.362 367 H C 1.007 176.434 175.328 0.164 0.000 1.181 367 H CA -0.641 55.583 56.048 0.293 0.000 1.376 367 H CB 1.770 31.706 29.762 0.291 0.000 1.488 367 H HN 0.507 nan 8.280 nan 0.000 0.583 368 R N 0.666 121.301 120.500 0.226 0.000 2.342 368 R HA 0.008 4.349 4.340 0.002 0.000 0.204 368 R C -0.413 176.058 176.300 0.286 0.000 0.882 368 R CA 0.060 56.233 56.100 0.121 0.000 1.041 368 R CB 0.354 30.701 30.300 0.080 0.000 1.188 368 R HN 0.946 nan 8.270 nan 0.000 0.598 369 D N 1.409 122.015 120.400 0.344 0.000 2.341 369 D HA 0.051 4.693 4.640 0.002 0.000 0.245 369 D C -0.475 175.877 176.300 0.087 0.000 1.106 369 D CA -0.014 54.133 54.000 0.246 0.000 0.905 369 D CB 1.681 42.590 40.800 0.182 0.000 1.202 369 D HN 0.176 nan 8.370 nan 0.000 0.426 370 S N 0.486 116.043 115.700 -0.239 0.000 2.704 370 S HA 0.374 4.845 4.470 0.002 0.000 0.296 370 S C 0.276 174.583 174.600 -0.490 0.000 1.138 370 S CA -1.016 56.965 58.200 -0.365 0.000 0.875 370 S CB 1.029 63.908 63.200 -0.535 0.000 1.151 370 S HN 0.695 nan 8.310 nan 0.000 0.500 371 W N -0.158 120.990 121.300 -0.252 0.000 2.443 371 W HA 0.205 4.866 4.660 0.002 0.000 0.296 371 W C 1.326 177.705 176.519 -0.233 0.000 1.202 371 W CA 0.727 57.911 57.345 -0.268 0.000 1.312 371 W CB 0.004 29.199 29.460 -0.441 0.000 1.120 371 W HN 0.482 nan 8.180 nan 0.000 0.536 372 V N -2.388 117.475 119.914 -0.085 0.000 5.945 372 V HA 0.128 4.249 4.120 0.002 0.000 0.105 372 V C 0.752 176.599 176.094 -0.413 0.000 1.019 372 V CA -0.332 61.784 62.300 -0.308 0.000 1.291 372 V CB -0.685 30.942 31.823 -0.328 0.000 2.431 372 V HN -0.211 nan 8.190 nan 0.000 0.328 373 F N 1.747 121.670 119.950 -0.046 0.000 2.367 373 F HA 0.377 4.906 4.527 0.003 0.000 0.298 373 F C 1.931 177.791 175.800 0.100 0.000 1.094 373 F CA 1.048 59.074 58.000 0.043 0.000 1.409 373 F CB -0.770 38.233 39.000 0.005 0.000 1.064 373 F HN 0.613 nan 8.300 nan 0.000 0.528 374 G N 0.635 109.553 108.800 0.198 0.000 2.323 374 G HA2 -0.245 3.716 3.960 0.002 0.000 0.292 374 G HA3 -0.245 3.716 3.960 0.002 0.000 0.292 374 G C 1.209 176.263 174.900 0.257 0.000 1.040 374 G CA 0.351 45.564 45.100 0.188 0.000 0.942 374 G HN 0.631 nan 8.290 nan 0.000 0.506 375 A N -0.943 122.034 122.820 0.263 0.000 1.972 375 A HA 0.190 4.512 4.320 0.002 0.000 0.219 375 A C 2.353 180.007 177.584 0.116 0.000 1.169 375 A CA 1.753 53.929 52.037 0.232 0.000 0.635 375 A CB -0.103 19.036 19.000 0.232 0.000 0.810 375 A HN 0.699 nan 8.150 nan 0.000 0.446 376 I N -1.141 119.459 120.570 0.051 0.000 2.364 376 I HA -0.007 4.165 4.170 0.002 0.000 0.241 376 I C 0.398 176.558 176.117 0.071 0.000 1.082 376 I CA 0.582 61.842 61.300 -0.066 0.000 1.401 376 I CB 0.008 37.786 38.000 -0.370 0.000 1.126 376 I HN 0.186 nan 8.210 nan 0.000 0.429 377 D N 2.082 122.614 120.400 0.220 0.000 2.427 377 D HA 0.172 4.813 4.640 0.002 0.000 0.226 377 D C -2.039 174.374 176.300 0.188 0.000 1.076 377 D CA -2.391 51.775 54.000 0.278 0.000 0.849 377 D CB 1.497 42.620 40.800 0.538 0.000 1.052 377 D HN 0.029 nan 8.370 nan 0.000 0.515 378 P HA 0.122 nan 4.420 nan 0.000 0.282 378 P C 0.687 177.951 177.300 -0.060 0.000 1.327 378 P CA -0.043 62.952 63.100 -0.174 0.000 0.949 378 P CB 0.623 31.849 31.700 -0.791 0.000 1.445 379 T N 0.043 114.634 114.554 0.062 0.000 2.915 379 T HA -0.111 4.240 4.350 0.002 0.000 0.269 379 T C 2.004 176.734 174.700 0.050 0.000 1.071 379 T CA 1.930 64.072 62.100 0.069 0.000 1.132 379 T CB -0.645 68.355 68.868 0.220 0.000 0.878 379 T HN 0.297 nan 8.240 nan 0.000 0.479 380 S N 1.680 117.419 115.700 0.064 0.000 2.383 380 S HA -0.069 4.403 4.470 0.002 0.000 0.229 380 S C 2.395 177.011 174.600 0.026 0.000 1.030 380 S CA 1.253 59.490 58.200 0.061 0.000 1.002 380 S CB -1.127 62.076 63.200 0.006 0.000 0.829 380 S HN 0.529 nan 8.310 nan 0.000 0.467 381 G N 0.852 109.646 108.800 -0.010 0.000 2.448 381 G HA2 -0.000 3.961 3.960 0.002 0.000 0.218 381 G HA3 -0.000 3.961 3.960 0.002 0.000 0.218 381 G C 1.392 176.251 174.900 -0.069 0.000 1.135 381 G CA 0.700 45.786 45.100 -0.024 0.000 0.784 381 G HN 0.475 nan 8.290 nan 0.000 0.543 382 V N 1.476 121.310 119.914 -0.133 0.000 2.358 382 V HA -0.120 4.001 4.120 0.002 0.000 0.246 382 V C 3.287 179.197 176.094 -0.307 0.000 1.047 382 V CA 1.983 64.118 62.300 -0.276 0.000 1.035 382 V CB -0.697 30.861 31.823 -0.441 0.000 0.658 382 V HN 0.447 nan 8.190 nan 0.000 0.452 383 A N -0.389 122.331 122.820 -0.167 0.000 1.898 383 A HA -0.141 4.180 4.320 0.002 0.000 0.216 383 A C 2.402 179.970 177.584 -0.026 0.000 1.181 383 A CA 1.900 53.915 52.037 -0.036 0.000 0.620 383 A CB -0.648 18.475 19.000 0.204 0.000 0.819 383 A HN 0.314 nan 8.150 nan 0.000 0.442 384 V N -0.193 119.723 119.914 0.004 0.000 2.295 384 V HA -0.228 3.893 4.120 0.002 0.000 0.246 384 V C 2.491 178.571 176.094 -0.023 0.000 1.049 384 V CA 1.994 64.300 62.300 0.010 0.000 1.024 384 V CB -0.694 31.137 31.823 0.014 0.000 0.648 384 V HN 0.595 nan 8.190 nan 0.000 0.447 385 L N -0.016 121.185 121.223 -0.038 0.000 2.083 385 L HA -0.157 4.185 4.340 0.002 0.000 0.209 385 L C 2.449 179.329 176.870 0.016 0.000 1.083 385 L CA 1.883 56.734 54.840 0.018 0.000 0.752 385 L CB -0.964 41.117 42.059 0.037 0.000 0.899 385 L HN 0.293 nan 8.230 nan 0.000 0.433 386 Q N -0.406 119.307 119.800 -0.144 0.000 2.079 386 Q HA -0.223 4.118 4.340 0.002 0.000 0.200 386 Q C 2.207 178.041 176.000 -0.276 0.000 0.974 386 Q CA 1.581 57.240 55.803 -0.241 0.000 0.840 386 Q CB -0.330 27.817 28.738 -0.986 0.000 0.898 386 Q HN 0.579 nan 8.270 nan 0.000 0.430 387 E N 0.731 120.819 120.200 -0.188 0.000 2.150 387 E HA -0.070 4.282 4.350 0.002 0.000 0.193 387 E C 1.839 178.377 176.600 -0.103 0.000 0.985 387 E CA 0.661 57.047 56.400 -0.024 0.000 0.814 387 E CB -0.216 29.543 29.700 0.098 0.000 0.752 387 E HN 0.369 nan 8.360 nan 0.000 0.466 388 I N 0.109 120.649 120.570 -0.050 0.000 2.202 388 I HA -0.207 3.965 4.170 0.002 0.000 0.242 388 I C 2.335 178.498 176.117 0.076 0.000 1.091 388 I CA 0.988 62.288 61.300 -0.001 0.000 1.368 388 I CB -0.391 37.682 38.000 0.122 0.000 1.058 388 I HN 0.170 nan 8.210 nan 0.000 0.410 389 A N 0.705 123.541 122.820 0.026 0.000 1.933 389 A HA -0.248 4.074 4.320 0.002 0.000 0.218 389 A C 2.449 179.834 177.584 -0.330 0.000 1.175 389 A CA 1.676 53.608 52.037 -0.175 0.000 0.628 389 A CB -0.659 18.089 19.000 -0.420 0.000 0.814 389 A HN 0.338 nan 8.150 nan 0.000 0.444 390 R N -0.194 119.854 120.500 -0.754 0.000 2.096 390 R HA -0.103 4.238 4.340 0.002 0.000 0.235 390 R C 2.208 178.240 176.300 -0.447 0.000 1.127 390 R CA 1.761 57.198 56.100 -1.106 0.000 0.968 390 R CB -0.244 29.409 30.300 -1.079 0.000 0.861 390 R HN 0.511 nan 8.270 nan 0.000 0.440 391 S N 0.152 115.657 115.700 -0.326 0.000 2.383 391 S HA -0.073 4.398 4.470 0.002 0.000 0.227 391 S C 1.511 175.939 174.600 -0.287 0.000 1.026 391 S CA 1.022 59.034 58.200 -0.313 0.000 0.981 391 S CB -0.256 62.719 63.200 -0.374 0.000 0.818 391 S HN 0.242 nan 8.310 nan 0.000 0.472 392 F N 2.157 122.027 119.950 -0.134 0.000 2.171 392 F HA 0.006 4.535 4.527 0.002 0.000 0.300 392 F C 2.616 178.430 175.800 0.024 0.000 1.090 392 F CA 0.881 58.861 58.000 -0.033 0.000 1.293 392 F CB -1.163 37.937 39.000 0.166 0.000 1.013 392 F HN 0.287 nan 8.300 nan 0.000 0.486 393 G N -0.694 108.191 108.800 0.141 0.000 2.442 393 G HA2 -0.331 3.630 3.960 0.002 0.000 0.219 393 G HA3 -0.331 3.630 3.960 0.002 0.000 0.219 393 G C 1.696 176.645 174.900 0.081 0.000 1.141 393 G CA 1.100 46.273 45.100 0.122 0.000 0.763 393 G HN 0.236 nan 8.290 nan 0.000 0.554 394 K N 0.094 120.485 120.400 -0.014 0.000 2.057 394 K HA 0.119 4.440 4.320 0.002 0.000 0.206 394 K C 2.497 179.093 176.600 -0.006 0.000 1.050 394 K CA 0.663 56.931 56.287 -0.032 0.000 0.935 394 K CB -0.374 32.063 32.500 -0.105 0.000 0.715 394 K HN 0.337 nan 8.250 nan 0.000 0.439 395 L N -0.012 121.190 121.223 -0.036 0.000 2.042 395 L HA -0.219 4.123 4.340 0.002 0.000 0.210 395 L C 2.497 179.516 176.870 0.247 0.000 1.076 395 L CA 1.507 56.345 54.840 -0.003 0.000 0.749 395 L CB -0.427 41.463 42.059 -0.281 0.000 0.893 395 L HN 0.298 nan 8.230 nan 0.000 0.432 396 M N -0.367 119.435 119.600 0.337 0.000 2.202 396 M HA -0.185 4.296 4.480 0.002 0.000 0.262 396 M C 2.540 178.957 176.300 0.196 0.000 1.063 396 M CA 2.042 57.539 55.300 0.328 0.000 1.097 396 M CB -0.450 32.317 32.600 0.278 0.000 1.382 396 M HN 0.407 nan 8.290 nan 0.000 0.413 397 S N -0.206 115.579 115.700 0.142 0.000 2.447 397 S HA -0.056 4.415 4.470 0.002 0.000 0.233 397 S C 1.594 176.247 174.600 0.089 0.000 1.006 397 S CA 0.727 58.986 58.200 0.097 0.000 0.957 397 S CB -0.157 63.085 63.200 0.071 0.000 0.773 397 S HN 0.336 nan 8.310 nan 0.000 0.507 398 K N 0.592 121.056 120.400 0.105 0.000 2.372 398 K HA 0.305 4.626 4.320 0.002 0.000 0.200 398 K C 1.195 177.874 176.600 0.131 0.000 1.022 398 K CA 0.560 56.906 56.287 0.098 0.000 1.125 398 K CB 0.353 32.899 32.500 0.078 0.000 0.855 398 K HN 0.581 nan 8.250 nan 0.000 0.524 399 G N 1.189 110.084 108.800 0.157 0.000 2.179 399 G HA2 -0.232 3.729 3.960 0.002 0.000 0.220 399 G HA3 -0.232 3.729 3.960 0.002 0.000 0.220 399 G C -0.216 174.803 174.900 0.197 0.000 0.990 399 G CA -0.107 45.080 45.100 0.145 0.000 0.646 399 G HN 0.378 nan 8.290 nan 0.000 0.517 400 W N 2.718 124.060 121.300 0.070 0.000 2.170 400 W HA 0.718 5.379 4.660 0.002 0.000 0.336 400 W C 0.227 176.805 176.519 0.097 0.000 1.283 400 W CA -0.270 57.130 57.345 0.092 0.000 1.224 400 W CB 0.572 30.102 29.460 0.116 0.000 1.132 400 W HN 0.097 nan 8.180 nan 0.000 0.571 401 R N 5.762 125.781 120.500 -0.802 0.000 2.725 401 R HA 0.404 4.746 4.340 0.002 0.000 0.277 401 R C -2.516 172.851 176.300 -1.555 0.000 0.987 401 R CA -2.211 53.295 56.100 -0.990 0.000 0.901 401 R CB 1.349 31.397 30.300 -0.420 0.000 1.207 401 R HN 0.349 nan 8.270 nan 0.000 0.463 402 P HA 0.193 nan 4.420 nan 0.000 0.274 402 P C 0.247 177.332 177.300 -0.357 0.000 1.237 402 P CA -0.377 62.280 63.100 -0.738 0.000 0.793 402 P CB 1.333 32.819 31.700 -0.356 0.000 0.977 403 R N 1.444 121.832 120.500 -0.186 0.000 2.062 403 R HA -0.059 4.282 4.340 0.002 0.000 0.231 403 R C 0.912 177.149 176.300 -0.105 0.000 1.136 403 R CA 1.178 57.204 56.100 -0.123 0.000 0.948 403 R CB 0.097 30.351 30.300 -0.077 0.000 0.845 403 R HN 0.475 nan 8.270 nan 0.000 0.430 404 R N -0.409 120.036 120.500 -0.092 0.000 2.705 404 R HA 0.267 4.608 4.340 0.002 0.000 0.246 404 R C -0.517 175.754 176.300 -0.048 0.000 1.142 404 R CA -0.632 55.432 56.100 -0.060 0.000 1.114 404 R CB 1.168 31.436 30.300 -0.053 0.000 1.256 404 R HN -0.021 nan 8.270 nan 0.000 0.536 405 T N 1.673 116.245 114.554 0.030 0.000 2.806 405 T HA 0.351 4.703 4.350 0.002 0.000 0.290 405 T C 0.275 174.971 174.700 -0.006 0.000 0.966 405 T CA -0.342 61.790 62.100 0.053 0.000 1.060 405 T CB 0.363 69.364 68.868 0.222 0.000 0.927 405 T HN 0.240 nan 8.240 nan 0.000 0.485 406 I N 4.052 124.542 120.570 -0.133 0.000 2.365 406 I HA 0.378 4.550 4.170 0.002 0.000 0.291 406 I C 0.001 175.923 176.117 -0.325 0.000 1.004 406 I CA -0.529 60.571 61.300 -0.334 0.000 1.311 406 I CB 0.891 38.523 38.000 -0.613 0.000 1.401 406 I HN 0.427 nan 8.210 nan 0.000 0.491 407 I N 6.326 126.666 120.570 -0.383 0.000 2.339 407 I HA 0.326 4.498 4.170 0.002 0.000 0.290 407 I C -0.697 175.087 176.117 -0.556 0.000 0.994 407 I CA -0.369 60.735 61.300 -0.328 0.000 1.191 407 I CB 0.879 38.756 38.000 -0.205 0.000 1.343 407 I HN 0.341 nan 8.210 nan 0.000 0.458 408 F N 4.841 124.509 119.950 -0.471 0.000 2.421 408 F HA 0.701 5.229 4.527 0.002 0.000 0.337 408 F C 0.478 175.965 175.800 -0.521 0.000 1.105 408 F CA -0.492 57.136 58.000 -0.620 0.000 1.049 408 F CB 1.672 39.984 39.000 -1.147 0.000 1.139 408 F HN 0.436 nan 8.300 nan 0.000 0.479 409 A N 1.844 124.443 122.820 -0.368 0.000 2.398 409 A HA 0.604 4.926 4.320 0.002 0.000 0.301 409 A C -0.947 176.268 177.584 -0.615 0.000 1.041 409 A CA -0.667 50.952 52.037 -0.697 0.000 0.711 409 A CB 1.584 19.508 19.000 -1.793 0.000 1.240 409 A HN 0.557 nan 8.150 nan 0.000 0.420 410 S N 2.396 117.886 115.700 -0.349 0.000 2.461 410 S HA 0.550 5.021 4.470 0.002 0.000 0.322 410 S C -0.894 173.638 174.600 -0.114 0.000 1.063 410 S CA -0.369 57.687 58.200 -0.241 0.000 1.120 410 S CB -0.123 62.948 63.200 -0.215 0.000 0.968 410 S HN 0.527 nan 8.310 nan 0.000 0.467 411 W N 2.916 124.294 121.300 0.131 0.000 2.313 411 W HA 0.435 5.097 4.660 0.003 0.000 0.328 411 W C 0.579 177.206 176.519 0.180 0.000 1.197 411 W CA -0.852 56.587 57.345 0.156 0.000 1.235 411 W CB 0.615 30.186 29.460 0.185 0.000 1.158 411 W HN 0.491 nan 8.180 nan 0.000 0.578 412 D N 0.297 120.972 120.400 0.458 0.000 2.326 412 D HA 0.405 5.046 4.640 0.002 0.000 0.248 412 D C 0.347 176.794 176.300 0.244 0.000 1.001 412 D CA 0.131 54.327 54.000 0.325 0.000 0.961 412 D CB 1.699 42.681 40.800 0.304 0.000 1.183 412 D HN 0.564 nan 8.370 nan 0.000 0.502 413 A N 1.650 124.586 122.820 0.195 0.000 2.799 413 A HA -0.226 4.095 4.320 0.002 0.000 0.287 413 A C 1.479 179.144 177.584 0.135 0.000 1.484 413 A CA 1.387 53.528 52.037 0.173 0.000 0.813 413 A CB -1.859 17.191 19.000 0.084 0.000 1.009 413 A HN 0.647 nan 8.150 nan 0.000 0.545 414 E N 0.059 120.280 120.200 0.035 0.000 2.106 414 E HA -0.194 4.157 4.350 0.002 0.000 0.192 414 E C 1.424 177.931 176.600 -0.155 0.000 0.984 414 E CA 1.446 57.754 56.400 -0.152 0.000 0.806 414 E CB -0.066 29.347 29.700 -0.478 0.000 0.750 414 E HN 0.767 nan 8.360 nan 0.000 0.458 415 E N -0.549 119.540 120.200 -0.186 0.000 2.478 415 E HA -0.096 4.256 4.350 0.002 0.000 0.198 415 E C 0.951 177.446 176.600 -0.175 0.000 1.046 415 E CA 0.356 56.593 56.400 -0.272 0.000 0.870 415 E CB -0.170 28.979 29.700 -0.918 0.000 0.818 415 E HN 0.324 nan 8.360 nan 0.000 0.527 416 F N -0.185 119.771 119.950 0.009 0.000 2.641 416 F HA 0.291 4.819 4.527 0.002 0.000 0.302 416 F C 1.207 177.106 175.800 0.164 0.000 1.098 416 F CA 0.231 58.362 58.000 0.218 0.000 1.318 416 F CB 1.089 40.203 39.000 0.189 0.000 1.035 416 F HN -0.001 nan 8.300 nan 0.000 0.551 417 G N 0.253 109.150 108.800 0.160 0.000 2.188 417 G HA2 -0.137 3.824 3.960 0.002 0.000 0.112 417 G HA3 -0.137 3.824 3.960 0.002 0.000 0.112 417 G C 0.354 175.212 174.900 -0.071 0.000 1.048 417 G CA -0.364 44.747 45.100 0.019 0.000 0.720 417 G HN 0.308 nan 8.290 nan 0.000 0.487 418 L N -1.793 119.379 121.223 -0.085 0.000 3.898 418 L HA -0.254 4.087 4.340 0.002 0.000 0.407 418 L C 2.029 178.797 176.870 -0.170 0.000 1.207 418 L CA 0.775 55.517 54.840 -0.163 0.000 0.931 418 L CB -2.052 39.874 42.059 -0.222 0.000 2.014 418 L HN 0.399 nan 8.230 nan 0.000 0.858 419 L N -0.223 120.948 121.223 -0.086 0.000 2.044 419 L HA -0.035 4.307 4.340 0.002 0.000 0.205 419 L C 2.576 179.367 176.870 -0.131 0.000 1.075 419 L CA 1.905 56.684 54.840 -0.102 0.000 0.747 419 L CB -0.573 41.474 42.059 -0.019 0.000 0.903 419 L HN 0.547 nan 8.230 nan 0.000 0.435 420 G N 0.118 108.899 108.800 -0.032 0.000 2.402 420 G HA2 -0.264 3.698 3.960 0.002 0.000 0.216 420 G HA3 -0.264 3.698 3.960 0.002 0.000 0.216 420 G C 1.828 176.646 174.900 -0.137 0.000 1.162 420 G CA 1.021 46.159 45.100 0.063 0.000 0.777 420 G HN 0.490 nan 8.290 nan 0.000 0.539 421 S N -0.016 115.376 115.700 -0.514 0.000 2.402 421 S HA -0.080 4.392 4.470 0.002 0.000 0.229 421 S C 2.215 176.495 174.600 -0.533 0.000 1.021 421 S CA 1.940 59.433 58.200 -1.177 0.000 0.974 421 S CB -0.601 61.706 63.200 -1.488 0.000 0.800 421 S HN 0.241 nan 8.310 nan 0.000 0.484 422 T N 2.067 116.374 114.554 -0.412 0.000 2.851 422 T HA 0.057 4.409 4.350 0.002 0.000 0.262 422 T C 1.745 176.222 174.700 -0.371 0.000 1.043 422 T CA 1.148 63.016 62.100 -0.387 0.000 1.140 422 T CB -0.266 68.387 68.868 -0.359 0.000 0.872 422 T HN 0.363 nan 8.240 nan 0.000 0.446 423 E N 0.313 120.260 120.200 -0.421 0.000 2.110 423 E HA -0.117 4.234 4.350 0.002 0.000 0.193 423 E C 1.758 178.052 176.600 -0.510 0.000 0.988 423 E CA 0.813 56.840 56.400 -0.621 0.000 0.804 423 E CB -0.329 28.718 29.700 -1.089 0.000 0.745 423 E HN 0.656 nan 8.360 nan 0.000 0.458 424 W N 1.519 122.577 121.300 -0.404 0.000 2.388 424 W HA -0.075 4.587 4.660 0.002 0.000 0.294 424 W C 2.382 178.918 176.519 0.028 0.000 1.212 424 W CA 2.056 59.421 57.345 0.033 0.000 1.271 424 W CB -0.164 29.506 29.460 0.350 0.000 1.126 424 W HN 0.062 nan 8.180 nan 0.000 0.535 425 A N 0.150 123.002 122.820 0.053 0.000 1.902 425 A HA -0.227 4.095 4.320 0.002 0.000 0.217 425 A C 1.799 179.238 177.584 -0.243 0.000 1.181 425 A CA 1.918 53.851 52.037 -0.173 0.000 0.623 425 A CB -0.783 17.884 19.000 -0.555 0.000 0.818 425 A HN 0.458 nan 8.150 nan 0.000 0.443 426 E N -0.833 119.212 120.200 -0.258 0.000 2.150 426 E HA -0.194 4.158 4.350 0.002 0.000 0.193 426 E C 2.012 178.516 176.600 -0.161 0.000 0.985 426 E CA 1.123 57.385 56.400 -0.231 0.000 0.814 426 E CB -0.077 29.459 29.700 -0.274 0.000 0.752 426 E HN 0.829 nan 8.360 nan 0.000 0.466 427 E N 0.760 120.864 120.200 -0.161 0.000 2.106 427 E HA -0.111 4.240 4.350 0.002 0.000 0.192 427 E C 1.245 177.744 176.600 -0.168 0.000 0.984 427 E CA 0.828 57.171 56.400 -0.095 0.000 0.806 427 E CB 0.250 29.946 29.700 -0.007 0.000 0.750 427 E HN 0.095 nan 8.360 nan 0.000 0.458 428 N N 0.320 118.823 118.700 -0.329 0.000 2.214 428 N HA -0.030 4.711 4.740 0.002 0.000 0.214 428 N C 1.281 176.684 175.510 -0.178 0.000 1.132 428 N CA 0.086 52.930 53.050 -0.344 0.000 0.856 428 N CB 1.188 39.200 38.487 -0.792 0.000 1.020 428 N HN 0.061 nan 8.380 nan 0.000 0.509 429 V N 1.529 121.366 119.914 -0.129 0.000 2.324 429 V HA -0.278 3.844 4.120 0.002 0.000 0.250 429 V C 2.006 178.095 176.094 -0.009 0.000 1.060 429 V CA 1.866 64.128 62.300 -0.064 0.000 1.042 429 V CB -0.080 31.699 31.823 -0.073 0.000 0.650 429 V HN 0.154 nan 8.190 nan 0.000 0.450 430 K N 0.573 120.971 120.400 -0.005 0.000 2.097 430 K HA -0.042 4.280 4.320 0.002 0.000 0.205 430 K C 2.055 178.684 176.600 0.047 0.000 1.050 430 K CA 2.093 58.393 56.287 0.021 0.000 0.938 430 K CB -0.787 31.726 32.500 0.021 0.000 0.718 430 K HN 0.819 nan 8.250 nan 0.000 0.442 431 I N -2.035 118.574 120.570 0.065 0.000 2.500 431 I HA -0.110 4.062 4.170 0.002 0.000 0.252 431 I C 2.068 178.311 176.117 0.209 0.000 1.142 431 I CA 0.861 62.245 61.300 0.140 0.000 1.451 431 I CB -0.440 37.681 38.000 0.201 0.000 1.093 431 I HN -0.122 nan 8.210 nan 0.000 0.430 432 L N 1.451 122.789 121.223 0.192 0.000 2.056 432 L HA -0.174 4.167 4.340 0.002 0.000 0.207 432 L C 3.023 180.020 176.870 0.211 0.000 1.078 432 L CA 1.815 56.823 54.840 0.279 0.000 0.749 432 L CB -0.753 41.459 42.059 0.255 0.000 0.901 432 L HN 0.473 nan 8.230 nan 0.000 0.433 433 Q N -0.619 119.257 119.800 0.127 0.000 2.297 433 Q HA -0.137 4.205 4.340 0.002 0.000 0.204 433 Q C 1.215 177.260 176.000 0.076 0.000 0.962 433 Q CA 0.920 56.782 55.803 0.100 0.000 0.879 433 Q CB -0.006 28.766 28.738 0.058 0.000 0.947 433 Q HN 0.434 nan 8.270 nan 0.000 0.462 434 E N 0.736 120.971 120.200 0.060 0.000 2.472 434 E HA 0.105 4.456 4.350 0.002 0.000 0.196 434 E C 1.005 177.598 176.600 -0.011 0.000 1.033 434 E CA 0.223 56.636 56.400 0.023 0.000 0.886 434 E CB 0.580 30.288 29.700 0.012 0.000 0.944 434 E HN 0.451 nan 8.360 nan 0.000 0.492 435 R N -0.491 119.998 120.500 -0.020 0.000 2.556 435 R HA 0.233 4.575 4.340 0.002 0.000 0.276 435 R C 0.266 176.495 176.300 -0.118 0.000 0.931 435 R CA -0.007 55.982 56.100 -0.186 0.000 1.061 435 R CB 0.932 30.922 30.300 -0.516 0.000 1.432 435 R HN -0.166 nan 8.270 nan 0.000 0.547 436 S N 1.460 117.228 115.700 0.113 0.000 2.513 436 S HA 0.205 4.677 4.470 0.002 0.000 0.276 436 S C 1.142 175.867 174.600 0.208 0.000 1.254 436 S CA -0.442 57.901 58.200 0.238 0.000 1.053 436 S CB 1.172 64.596 63.200 0.374 0.000 0.958 436 S HN 0.035 nan 8.310 nan 0.000 0.491 437 I N 1.494 122.179 120.570 0.191 0.000 2.339 437 I HA 0.228 4.400 4.170 0.002 0.000 0.245 437 I C 1.171 177.503 176.117 0.359 0.000 1.096 437 I CA 0.796 62.221 61.300 0.207 0.000 1.408 437 I CB -1.289 36.751 38.000 0.067 0.000 1.092 437 I HN 0.678 nan 8.210 nan 0.000 0.423 438 A N -1.084 121.919 122.820 0.306 0.000 2.601 438 A HA 0.557 4.879 4.320 0.002 0.000 0.291 438 A C -1.945 175.810 177.584 0.285 0.000 1.075 438 A CA -0.432 51.805 52.037 0.333 0.000 0.671 438 A CB 0.976 20.167 19.000 0.320 0.000 1.277 438 A HN 0.122 nan 8.150 nan 0.000 0.417 439 Y N 1.780 122.182 120.300 0.171 0.000 2.350 439 Y HA 0.678 5.230 4.550 0.003 0.000 0.338 439 Y C -1.110 174.830 175.900 0.067 0.000 0.961 439 Y CA -0.982 57.178 58.100 0.100 0.000 1.100 439 Y CB 1.138 39.674 38.460 0.128 0.000 1.179 439 Y HN 0.528 nan 8.280 nan 0.000 0.454 440 I N 5.781 126.100 120.570 -0.418 0.000 2.362 440 I HA 0.221 4.392 4.170 0.002 0.000 0.289 440 I C -0.303 175.573 176.117 -0.402 0.000 0.994 440 I CA -0.766 60.384 61.300 -0.250 0.000 1.158 440 I CB 1.063 38.968 38.000 -0.160 0.000 1.315 440 I HN 0.709 nan 8.210 nan 0.000 0.451 441 N N 3.000 121.682 118.700 -0.031 0.000 2.483 441 N HA 0.242 4.983 4.740 0.002 0.000 0.269 441 N C -0.105 175.443 175.510 0.064 0.000 1.209 441 N CA 0.263 53.410 53.050 0.162 0.000 0.969 441 N CB 0.990 39.737 38.487 0.435 0.000 1.173 441 N HN 0.506 nan 8.380 nan 0.000 0.475 442 S N 0.682 116.450 115.700 0.114 0.000 2.472 442 S HA 0.156 4.628 4.470 0.002 0.000 0.191 442 S C -0.788 173.868 174.600 0.093 0.000 1.244 442 S CA -0.670 57.567 58.200 0.063 0.000 1.227 442 S CB -0.500 62.704 63.200 0.006 0.000 1.381 442 S HN 0.634 nan 8.310 nan 0.000 0.394 443 D N 1.202 121.695 120.400 0.154 0.000 2.376 443 D HA 0.336 4.977 4.640 0.002 0.000 0.281 443 D C 0.137 176.481 176.300 0.074 0.000 1.215 443 D CA -0.175 53.909 54.000 0.141 0.000 1.062 443 D CB 0.731 41.706 40.800 0.292 0.000 1.124 443 D HN 0.331 nan 8.370 nan 0.000 0.550 444 S N -0.748 115.004 115.700 0.087 0.000 2.642 444 S HA 0.002 4.473 4.470 0.002 0.000 0.308 444 S C 1.203 175.817 174.600 0.023 0.000 1.255 444 S CA 0.424 58.655 58.200 0.051 0.000 1.057 444 S CB 0.297 63.551 63.200 0.090 0.000 0.785 444 S HN 0.467 nan 8.310 nan 0.000 0.500 445 S N 1.518 117.214 115.700 -0.006 0.000 2.517 445 S HA 0.230 4.702 4.470 0.002 0.000 0.214 445 S C 0.320 174.914 174.600 -0.010 0.000 0.991 445 S CA -0.227 57.969 58.200 -0.006 0.000 0.906 445 S CB -0.115 63.081 63.200 -0.007 0.000 0.789 445 S HN 0.610 nan 8.310 nan 0.000 0.513 446 I N 2.177 122.711 120.570 -0.060 0.000 2.854 446 I HA 0.272 4.443 4.170 0.002 0.000 0.280 446 I C 0.411 176.428 176.117 -0.167 0.000 1.482 446 I CA -0.476 60.777 61.300 -0.078 0.000 0.884 446 I CB 0.895 38.802 38.000 -0.154 0.000 1.600 446 I HN 0.281 nan 8.210 nan 0.000 0.585 447 E N 3.074 123.227 120.200 -0.079 0.000 2.479 447 E HA 0.501 4.853 4.350 0.002 0.000 0.193 447 E C 0.679 177.354 176.600 0.126 0.000 1.049 447 E CA 0.168 56.495 56.400 -0.123 0.000 0.870 447 E CB 0.579 30.304 29.700 0.042 0.000 0.944 447 E HN 0.522 nan 8.360 nan 0.000 0.492 448 G N 1.300 110.209 108.800 0.182 0.000 2.488 448 G HA2 0.191 4.153 3.960 0.002 0.000 0.301 448 G HA3 0.191 4.153 3.960 0.002 0.000 0.301 448 G C -1.227 173.762 174.900 0.147 0.000 1.339 448 G CA -0.398 44.794 45.100 0.155 0.000 0.803 448 G HN 0.115 nan 8.290 nan 0.000 0.482 449 N N -1.432 117.314 118.700 0.077 0.000 2.377 449 N HA 0.151 4.893 4.740 0.002 0.000 0.259 449 N C 0.180 175.841 175.510 0.252 0.000 1.332 449 N CA -0.451 52.674 53.050 0.124 0.000 0.877 449 N CB 0.230 38.666 38.487 -0.085 0.000 1.299 449 N HN 0.458 nan 8.380 nan 0.000 0.501 450 Y N 0.519 120.891 120.300 0.120 0.000 2.239 450 Y HA 0.386 4.937 4.550 0.002 0.000 0.293 450 Y C 0.527 176.437 175.900 0.017 0.000 1.126 450 Y CA 0.998 59.132 58.100 0.057 0.000 1.128 450 Y CB 0.301 38.757 38.460 -0.007 0.000 1.066 450 Y HN 0.113 nan 8.280 nan 0.000 0.516 451 T N -1.143 113.231 114.554 -0.300 0.000 2.665 451 T HA 0.366 4.717 4.350 0.002 0.000 0.303 451 T C -2.029 171.956 174.700 -1.192 0.000 1.334 451 T CA -0.630 61.012 62.100 -0.763 0.000 1.011 451 T CB 0.283 68.804 68.868 -0.579 0.000 1.573 451 T HN 0.050 nan 8.240 nan 0.000 0.492 452 L N 2.337 122.860 121.223 -1.167 0.000 2.417 452 L HA 0.661 5.003 4.340 0.002 0.000 0.268 452 L C 0.267 176.714 176.870 -0.706 0.000 1.158 452 L CA 0.094 54.275 54.840 -1.099 0.000 0.819 452 L CB 0.622 41.900 42.059 -1.303 0.000 1.112 452 L HN 0.608 nan 8.230 nan 0.000 0.458 453 R N 3.297 123.493 120.500 -0.507 0.000 2.513 453 R HA 0.710 5.051 4.340 0.002 0.000 0.301 453 R C -2.033 174.101 176.300 -0.277 0.000 0.968 453 R CA -0.630 55.316 56.100 -0.255 0.000 0.872 453 R CB 1.583 31.789 30.300 -0.156 0.000 1.177 453 R HN 0.524 nan 8.270 nan 0.000 0.444 454 V N 3.604 123.424 119.914 -0.157 0.000 2.656 454 V HA 0.408 4.530 4.120 0.002 0.000 0.307 454 V C -1.134 174.899 176.094 -0.101 0.000 1.051 454 V CA -0.837 61.373 62.300 -0.150 0.000 0.893 454 V CB 2.187 33.941 31.823 -0.114 0.000 0.999 454 V HN 0.781 nan 8.190 nan 0.000 0.426 455 D N 3.085 123.377 120.400 -0.181 0.000 2.629 455 D HA 0.756 5.397 4.640 0.002 0.000 0.250 455 D C -0.601 175.497 176.300 -0.336 0.000 1.126 455 D CA -0.061 53.789 54.000 -0.249 0.000 0.852 455 D CB 1.847 42.452 40.800 -0.325 0.000 1.335 455 D HN 0.944 nan 8.370 nan 0.000 0.518 456 C N -0.494 118.614 119.300 -0.320 0.000 3.306 456 C HA 0.747 5.208 4.460 0.002 0.000 0.335 456 C C 0.171 174.882 174.990 -0.465 0.000 1.382 456 C CA -0.921 57.857 59.018 -0.400 0.000 1.254 456 C CB 1.216 28.822 27.740 -0.223 0.000 1.555 456 C HN 0.557 nan 8.230 nan 0.000 0.463 457 T N 1.462 115.664 114.554 -0.586 0.000 2.932 457 T HA 0.347 4.698 4.350 0.002 0.000 0.312 457 T C -1.264 172.989 174.700 -0.744 0.000 1.071 457 T CA -0.079 61.668 62.100 -0.588 0.000 1.128 457 T CB 0.512 69.198 68.868 -0.304 0.000 0.984 457 T HN 0.687 nan 8.240 nan 0.000 0.549 458 P HA -0.050 nan 4.420 nan 0.000 0.218 458 P C 1.597 178.320 177.300 -0.961 0.000 1.146 458 P CA 0.971 63.072 63.100 -1.666 0.000 0.813 458 P CB -0.057 30.894 31.700 -1.249 0.000 0.778 459 L N -1.827 119.035 121.223 -0.602 0.000 2.189 459 L HA -0.169 4.172 4.340 0.002 0.000 0.214 459 L C 2.041 178.793 176.870 -0.196 0.000 1.097 459 L CA 1.294 55.935 54.840 -0.332 0.000 0.764 459 L CB -0.639 41.045 42.059 -0.625 0.000 0.900 459 L HN 0.041 nan 8.230 nan 0.000 0.436 460 L N -2.478 118.604 121.223 -0.235 0.000 2.640 460 L HA -0.009 4.333 4.340 0.002 0.000 0.230 460 L C 2.082 178.969 176.870 0.029 0.000 1.123 460 L CA -0.351 54.478 54.840 -0.018 0.000 0.900 460 L CB -0.114 41.928 42.059 -0.028 0.000 1.146 460 L HN 0.114 nan 8.230 nan 0.000 0.484 461 Y N 0.700 120.915 120.300 -0.141 0.000 2.081 461 Y HA -0.321 4.230 4.550 0.002 0.000 0.280 461 Y C 2.636 178.369 175.900 -0.278 0.000 1.163 461 Y CA 1.100 59.023 58.100 -0.295 0.000 1.135 461 Y CB -0.855 37.490 38.460 -0.192 0.000 0.970 461 Y HN 0.263 nan 8.280 nan 0.000 0.498 462 Q N -0.892 119.002 119.800 0.156 0.000 2.124 462 Q HA -0.184 4.158 4.340 0.002 0.000 0.202 462 Q C 2.323 178.419 176.000 0.161 0.000 0.977 462 Q CA 1.338 57.261 55.803 0.200 0.000 0.850 462 Q CB -0.435 28.419 28.738 0.193 0.000 0.901 462 Q HN 0.373 nan 8.270 nan 0.000 0.429 463 L N -0.062 121.243 121.223 0.137 0.000 2.056 463 L HA -0.145 4.196 4.340 0.002 0.000 0.207 463 L C 2.084 179.024 176.870 0.117 0.000 1.078 463 L CA 1.375 56.295 54.840 0.133 0.000 0.749 463 L CB -0.479 41.669 42.059 0.148 0.000 0.901 463 L HN -0.022 nan 8.230 nan 0.000 0.433 464 V N -0.827 119.125 119.914 0.062 0.000 2.287 464 V HA -0.366 3.756 4.120 0.002 0.000 0.248 464 V C 2.284 178.516 176.094 0.230 0.000 1.053 464 V CA 2.303 64.647 62.300 0.073 0.000 1.027 464 V CB -0.885 30.925 31.823 -0.021 0.000 0.646 464 V HN 0.494 nan 8.190 nan 0.000 0.447 465 Y N 0.234 120.693 120.300 0.266 0.000 2.181 465 Y HA -0.270 4.281 4.550 0.002 0.000 0.288 465 Y C 2.662 178.617 175.900 0.091 0.000 1.146 465 Y CA 1.718 59.976 58.100 0.263 0.000 1.164 465 Y CB -0.207 38.355 38.460 0.170 0.000 0.982 465 Y HN 0.179 nan 8.280 nan 0.000 0.515 466 K N 0.977 121.509 120.400 0.219 0.000 2.032 466 K HA -0.207 4.115 4.320 0.002 0.000 0.209 466 K C 1.801 178.468 176.600 0.112 0.000 1.048 466 K CA 1.587 57.939 56.287 0.109 0.000 0.927 466 K CB -0.338 32.228 32.500 0.109 0.000 0.712 466 K HN 0.325 nan 8.250 nan 0.000 0.441 467 L N 0.742 122.050 121.223 0.143 0.000 2.109 467 L HA -0.105 4.236 4.340 0.002 0.000 0.207 467 L C 2.596 179.549 176.870 0.138 0.000 1.086 467 L CA 1.533 56.446 54.840 0.123 0.000 0.760 467 L CB -0.711 41.412 42.059 0.108 0.000 0.910 467 L HN 0.446 nan 8.230 nan 0.000 0.437 468 T N -3.057 111.624 114.554 0.212 0.000 2.929 468 T HA -0.179 4.173 4.350 0.002 0.000 0.271 468 T C 1.708 176.559 174.700 0.251 0.000 1.085 468 T CA 0.861 63.116 62.100 0.259 0.000 1.125 468 T CB -0.221 68.913 68.868 0.442 0.000 0.874 468 T HN 0.261 nan 8.240 nan 0.000 0.494 469 K N 1.037 121.542 120.400 0.175 0.000 2.365 469 K HA 0.035 4.356 4.320 0.002 0.000 0.199 469 K C 1.648 178.302 176.600 0.090 0.000 1.045 469 K CA 0.978 57.319 56.287 0.090 0.000 0.962 469 K CB 0.076 32.531 32.500 -0.075 0.000 0.759 469 K HN 0.581 nan 8.250 nan 0.000 0.469 470 E N 0.211 120.469 120.200 0.096 0.000 2.548 470 E HA 0.171 4.523 4.350 0.002 0.000 0.206 470 E C -0.384 176.277 176.600 0.102 0.000 1.005 470 E CA -0.079 56.377 56.400 0.094 0.000 0.951 470 E CB 0.606 30.361 29.700 0.091 0.000 1.035 470 E HN 0.160 nan 8.360 nan 0.000 0.470 471 I N 2.267 122.894 120.570 0.096 0.000 2.406 471 I HA 0.273 4.445 4.170 0.002 0.000 0.290 471 I C -2.465 173.699 176.117 0.079 0.000 0.999 471 I CA -2.780 58.563 61.300 0.071 0.000 1.124 471 I CB 1.726 39.755 38.000 0.050 0.000 1.289 471 I HN -0.268 nan 8.210 nan 0.000 0.441 472 P HA -0.004 nan 4.420 nan 0.000 0.268 472 P C -0.321 177.015 177.300 0.060 0.000 1.204 472 P CA -0.048 63.095 63.100 0.072 0.000 0.768 472 P CB 0.644 32.380 31.700 0.061 0.000 0.842 473 S N 3.989 119.736 115.700 0.077 0.000 2.549 473 S HA 0.163 4.634 4.470 0.002 0.000 0.283 473 S C -1.329 173.295 174.600 0.040 0.000 1.320 473 S CA -1.019 57.212 58.200 0.052 0.000 1.058 473 S CB -0.217 63.010 63.200 0.045 0.000 0.882 473 S HN 0.342 nan 8.310 nan 0.000 0.498 474 P HA 0.251 nan 4.420 nan 0.000 0.261 474 P C -0.674 176.611 177.300 -0.024 0.000 1.268 474 P CA -0.112 62.959 63.100 -0.047 0.000 0.833 474 P CB 0.033 31.631 31.700 -0.170 0.000 1.231 475 D N 1.069 121.485 120.400 0.027 0.000 2.302 475 D HA 0.125 4.767 4.640 0.002 0.000 0.248 475 D C 0.173 176.592 176.300 0.199 0.000 1.094 475 D CA 0.132 54.179 54.000 0.078 0.000 0.897 475 D CB 0.327 41.126 40.800 -0.003 0.000 1.200 475 D HN -0.071 nan 8.370 nan 0.000 0.429 476 D N 0.446 120.937 120.400 0.152 0.000 2.493 476 D HA 0.312 4.953 4.640 0.002 0.000 0.240 476 D C 1.568 177.979 176.300 0.186 0.000 1.142 476 D CA 0.840 54.919 54.000 0.133 0.000 0.872 476 D CB 0.821 41.673 40.800 0.087 0.000 1.173 476 D HN 0.614 nan 8.370 nan 0.000 0.467 477 G N 1.559 110.403 108.800 0.073 0.000 2.195 477 G HA2 -0.304 3.657 3.960 0.002 0.000 0.246 477 G HA3 -0.304 3.657 3.960 0.002 0.000 0.246 477 G C 0.539 175.270 174.900 -0.281 0.000 0.984 477 G CA -0.257 44.783 45.100 -0.100 0.000 0.633 477 G HN 0.440 nan 8.290 nan 0.000 0.525 478 F N 1.144 121.101 119.950 0.011 0.000 2.855 478 F HA 0.439 4.967 4.527 0.002 0.000 0.317 478 F C 1.499 177.311 175.800 0.020 0.000 1.169 478 F CA -0.045 57.965 58.000 0.017 0.000 1.299 478 F CB 0.841 39.853 39.000 0.021 0.000 0.962 478 F HN 0.069 nan 8.300 nan 0.000 0.506 479 E N -0.004 120.266 120.200 0.117 0.000 2.265 479 E HA -0.139 4.212 4.350 0.002 0.000 0.196 479 E C 1.783 178.429 176.600 0.077 0.000 0.996 479 E CA 1.220 57.673 56.400 0.087 0.000 0.832 479 E CB -0.084 29.645 29.700 0.047 0.000 0.756 479 E HN 0.239 nan 8.360 nan 0.000 0.491 480 S N -0.605 115.138 115.700 0.072 0.000 2.651 480 S HA 0.265 4.737 4.470 0.002 0.000 0.246 480 S C 0.180 174.835 174.600 0.091 0.000 1.039 480 S CA -0.692 57.548 58.200 0.066 0.000 1.013 480 S CB 0.281 63.504 63.200 0.038 0.000 0.861 480 S HN -0.196 nan 8.310 nan 0.000 0.485 481 K N 1.608 122.093 120.400 0.141 0.000 2.400 481 K HA 0.563 4.885 4.320 0.002 0.000 0.246 481 K C -0.063 176.638 176.600 0.169 0.000 0.995 481 K CA -0.525 55.868 56.287 0.177 0.000 0.840 481 K CB 1.698 34.373 32.500 0.292 0.000 1.293 481 K HN 0.354 nan 8.250 nan 0.000 0.445 482 S N -0.043 115.756 115.700 0.166 0.000 2.652 482 S HA 0.150 4.622 4.470 0.002 0.000 0.270 482 S C 1.189 175.875 174.600 0.145 0.000 1.243 482 S CA -0.601 57.691 58.200 0.154 0.000 0.999 482 S CB 0.678 63.981 63.200 0.172 0.000 0.973 482 S HN 0.543 nan 8.310 nan 0.000 0.544 483 L N 1.190 122.492 121.223 0.132 0.000 2.079 483 L HA -0.034 4.308 4.340 0.002 0.000 0.210 483 L C 2.095 179.083 176.870 0.197 0.000 1.081 483 L CA 1.890 56.793 54.840 0.104 0.000 0.752 483 L CB -1.444 40.669 42.059 0.090 0.000 0.896 483 L HN 0.905 nan 8.230 nan 0.000 0.433 484 Y N 0.561 120.964 120.300 0.171 0.000 2.165 484 Y HA -0.269 4.283 4.550 0.002 0.000 0.286 484 Y C 2.383 178.346 175.900 0.104 0.000 1.155 484 Y CA 2.240 60.482 58.100 0.237 0.000 1.164 484 Y CB -0.118 38.441 38.460 0.165 0.000 0.978 484 Y HN 0.396 nan 8.280 nan 0.000 0.513 485 E N -0.485 119.835 120.200 0.199 0.000 2.077 485 E HA -0.197 4.154 4.350 0.002 0.000 0.193 485 E C 2.355 178.910 176.600 -0.075 0.000 0.989 485 E CA 1.712 58.168 56.400 0.094 0.000 0.800 485 E CB -0.223 29.606 29.700 0.216 0.000 0.746 485 E HN 0.610 nan 8.360 nan 0.000 0.452 486 S N 0.276 115.821 115.700 -0.258 0.000 2.387 486 S HA -0.157 4.314 4.470 0.002 0.000 0.226 486 S C 1.743 176.122 174.600 -0.369 0.000 1.026 486 S CA 0.520 58.282 58.200 -0.730 0.000 0.972 486 S CB -0.538 61.895 63.200 -1.279 0.000 0.814 486 S HN 0.457 nan 8.310 nan 0.000 0.477 487 W N 2.513 123.557 121.300 -0.427 0.000 2.358 487 W HA 0.078 4.740 4.660 0.002 0.000 0.303 487 W C 1.897 178.194 176.519 -0.369 0.000 1.208 487 W CA 0.642 57.753 57.345 -0.390 0.000 1.274 487 W CB -0.973 28.296 29.460 -0.319 0.000 1.138 487 W HN 0.350 nan 8.180 nan 0.000 0.515 488 L N 1.511 122.446 121.223 -0.480 0.000 2.046 488 L HA -0.154 4.188 4.340 0.002 0.000 0.208 488 L C 2.405 179.092 176.870 -0.305 0.000 1.077 488 L CA 2.821 57.309 54.840 -0.587 0.000 0.747 488 L CB -1.371 40.287 42.059 -0.669 0.000 0.896 488 L HN 0.243 nan 8.230 nan 0.000 0.432 489 E N -0.580 119.509 120.200 -0.185 0.000 2.110 489 E HA -0.248 4.103 4.350 0.002 0.000 0.193 489 E C 1.961 178.526 176.600 -0.059 0.000 0.988 489 E CA 1.446 57.807 56.400 -0.063 0.000 0.804 489 E CB -0.000 29.743 29.700 0.072 0.000 0.745 489 E HN 0.555 nan 8.360 nan 0.000 0.458 490 K N -0.753 119.576 120.400 -0.119 0.000 2.284 490 K HA -0.001 4.320 4.320 0.002 0.000 0.198 490 K C 0.106 176.725 176.600 0.031 0.000 1.048 490 K CA 0.645 56.889 56.287 -0.073 0.000 0.987 490 K CB 0.498 32.733 32.500 -0.440 0.000 0.800 490 K HN -0.051 nan 8.250 nan 0.000 0.486 491 D N 0.785 121.151 120.400 -0.056 0.000 2.846 491 D HA 0.129 4.770 4.640 0.002 0.000 0.279 491 D C -2.794 173.385 176.300 -0.201 0.000 1.222 491 D CA -2.141 51.831 54.000 -0.046 0.000 0.769 491 D CB 0.829 41.672 40.800 0.071 0.000 1.299 491 D HN -0.120 nan 8.370 nan 0.000 0.537 492 P HA 0.051 nan 4.420 nan 0.000 0.269 492 P C 0.143 177.330 177.300 -0.189 0.000 1.209 492 P CA -0.179 62.782 63.100 -0.233 0.000 0.776 492 P CB 1.066 32.670 31.700 -0.161 0.000 0.876 493 S N 3.187 118.756 115.700 -0.219 0.000 2.549 493 S HA 0.179 4.650 4.470 0.002 0.000 0.279 493 S C -1.407 173.131 174.600 -0.103 0.000 1.321 493 S CA -1.199 56.907 58.200 -0.157 0.000 1.054 493 S CB -0.157 62.938 63.200 -0.173 0.000 0.899 493 S HN 0.240 nan 8.310 nan 0.000 0.497 494 P HA -0.087 nan 4.420 nan 0.000 0.218 494 P C 0.987 178.268 177.300 -0.033 0.000 1.149 494 P CA 0.899 63.975 63.100 -0.041 0.000 0.817 494 P CB 0.052 31.739 31.700 -0.020 0.000 0.785 495 E N -1.807 118.372 120.200 -0.034 0.000 2.474 495 E HA 0.038 4.390 4.350 0.002 0.000 0.194 495 E C 0.209 176.788 176.600 -0.034 0.000 1.041 495 E CA 0.367 56.756 56.400 -0.020 0.000 0.874 495 E CB -0.427 29.273 29.700 0.001 0.000 0.914 495 E HN 0.145 nan 8.360 nan 0.000 0.498 496 N N 0.838 119.500 118.700 -0.064 0.000 2.752 496 N HA 0.088 4.830 4.740 0.002 0.000 0.268 496 N C -0.364 175.079 175.510 -0.110 0.000 1.190 496 N CA -0.215 52.789 53.050 -0.076 0.000 0.897 496 N CB 1.491 39.932 38.487 -0.076 0.000 1.515 496 N HN -0.271 nan 8.380 nan 0.000 0.567 497 K N 1.499 121.844 120.400 -0.092 0.000 2.360 497 K HA 0.103 4.424 4.320 0.002 0.000 0.201 497 K C 0.560 177.079 176.600 -0.134 0.000 1.046 497 K CA 0.970 57.194 56.287 -0.104 0.000 0.945 497 K CB -0.052 32.405 32.500 -0.071 0.000 0.750 497 K HN 0.527 nan 8.250 nan 0.000 0.464 498 N N -0.316 118.304 118.700 -0.134 0.000 2.235 498 N HA 0.179 4.921 4.740 0.002 0.000 0.209 498 N C -0.811 174.569 175.510 -0.217 0.000 1.122 498 N CA -0.045 52.920 53.050 -0.141 0.000 0.845 498 N CB 0.399 38.833 38.487 -0.089 0.000 1.004 498 N HN -0.023 nan 8.380 nan 0.000 0.499 499 L N 0.213 121.255 121.223 -0.301 0.000 2.370 499 L HA 0.586 4.928 4.340 0.002 0.000 0.266 499 L C -2.523 173.994 176.870 -0.589 0.000 1.002 499 L CA -2.396 52.140 54.840 -0.507 0.000 0.818 499 L CB 2.250 44.027 42.059 -0.470 0.000 1.325 499 L HN -0.257 nan 8.230 nan 0.000 0.418 500 P HA 0.088 nan 4.420 nan 0.000 0.272 500 P C -0.909 176.017 177.300 -0.624 0.000 1.223 500 P CA -0.457 61.991 63.100 -1.085 0.000 0.784 500 P CB 0.509 30.768 31.700 -2.402 0.000 0.923 501 R N 2.934 123.181 120.500 -0.421 0.000 2.489 501 R HA 0.231 4.572 4.340 0.002 0.000 0.287 501 R C -0.599 175.692 176.300 -0.015 0.000 1.053 501 R CA 0.156 56.159 56.100 -0.162 0.000 1.036 501 R CB -0.362 29.895 30.300 -0.072 0.000 0.966 501 R HN 0.469 nan 8.270 nan 0.000 0.432 502 I N 4.637 125.156 120.570 -0.085 0.000 2.436 502 I HA 0.241 4.413 4.170 0.002 0.000 0.289 502 I C -0.283 175.790 176.117 -0.073 0.000 1.010 502 I CA -0.991 60.273 61.300 -0.061 0.000 1.098 502 I CB 1.920 39.777 38.000 -0.239 0.000 1.266 502 I HN 0.632 nan 8.210 nan 0.000 0.434 503 N N 5.686 124.352 118.700 -0.056 0.000 2.476 503 N HA 0.346 5.087 4.740 0.002 0.000 0.275 503 N C -0.453 174.974 175.510 -0.138 0.000 1.190 503 N CA -0.673 52.331 53.050 -0.077 0.000 0.977 503 N CB 1.287 39.721 38.487 -0.088 0.000 1.200 503 N HN 0.438 nan 8.380 nan 0.000 0.515 504 K N 0.713 121.022 120.400 -0.153 0.000 2.168 504 K HA 0.292 4.613 4.320 0.002 0.000 0.258 504 K C -0.100 176.259 176.600 -0.401 0.000 1.010 504 K CA -0.293 55.802 56.287 -0.321 0.000 0.929 504 K CB 0.647 33.031 32.500 -0.194 0.000 0.998 504 K HN 0.286 nan 8.250 nan 0.000 0.479 505 L N 1.622 122.466 121.223 -0.633 0.000 2.290 505 L HA 0.218 4.559 4.340 0.002 0.000 0.284 505 L C 0.946 177.709 176.870 -0.180 0.000 1.078 505 L CA -0.151 54.391 54.840 -0.496 0.000 0.815 505 L CB 1.226 42.774 42.059 -0.852 0.000 1.162 505 L HN 0.882 nan 8.230 nan 0.000 0.435 506 G N 1.258 110.055 108.800 -0.005 0.000 3.110 506 G HA2 0.403 4.365 3.960 0.002 0.000 0.207 506 G HA3 0.403 4.365 3.960 0.002 0.000 0.207 506 G C -0.311 174.670 174.900 0.135 0.000 1.841 506 G CA 0.139 45.249 45.100 0.017 0.000 0.751 506 G HN 0.521 nan 8.290 nan 0.000 0.771 507 S N -3.217 112.535 115.700 0.085 0.000 2.971 507 S HA 0.589 5.060 4.470 0.002 0.000 0.320 507 S C 0.620 175.262 174.600 0.071 0.000 1.111 507 S CA 0.635 58.811 58.200 -0.040 0.000 0.870 507 S CB 1.047 64.161 63.200 -0.143 0.000 1.331 507 S HN 2.065 nan 8.310 nan 0.000 0.635 508 G N 0.016 108.781 108.800 -0.059 0.000 2.284 508 G HA2 -0.036 3.926 3.960 0.002 0.000 0.201 508 G HA3 -0.036 3.926 3.960 0.002 0.000 0.201 508 G C 0.157 175.075 174.900 0.030 0.000 0.998 508 G CA 0.593 45.759 45.100 0.110 0.000 0.651 508 G HN 1.236 nan 8.290 nan 0.000 0.489 509 S N -1.395 114.193 115.700 -0.187 0.000 2.727 509 S HA 0.511 4.983 4.470 0.002 0.000 0.278 509 S C -0.430 173.938 174.600 -0.387 0.000 1.186 509 S CA 0.385 58.529 58.200 -0.093 0.000 0.836 509 S CB 0.842 64.194 63.200 0.252 0.000 1.186 509 S HN -0.001 nan 8.310 nan 0.000 0.499 510 D N 1.186 121.543 120.400 -0.072 0.000 2.371 510 D HA 0.023 4.664 4.640 0.002 0.000 0.221 510 D C 1.460 177.620 176.300 -0.233 0.000 0.986 510 D CA 0.755 54.675 54.000 -0.134 0.000 0.899 510 D CB -0.261 40.589 40.800 0.082 0.000 0.902 510 D HN 0.553 nan 8.370 nan 0.000 0.530 511 F N 0.935 120.839 119.950 -0.076 0.000 2.546 511 F HA 0.054 4.582 4.527 0.002 0.000 0.298 511 F C 1.918 177.686 175.800 -0.053 0.000 1.120 511 F CA 0.283 58.093 58.000 -0.317 0.000 1.456 511 F CB -0.563 38.413 39.000 -0.039 0.000 1.088 511 F HN -0.161 nan 8.300 nan 0.000 0.572 512 E N 1.457 121.202 120.200 -0.758 0.000 2.049 512 E HA -0.260 4.091 4.350 0.002 0.000 0.198 512 E C 2.366 178.906 176.600 -0.101 0.000 1.007 512 E CA 1.479 57.627 56.400 -0.419 0.000 0.809 512 E CB -0.335 29.104 29.700 -0.436 0.000 0.749 512 E HN 0.496 nan 8.360 nan 0.000 0.450 513 A N -0.087 122.600 122.820 -0.222 0.000 1.930 513 A HA -0.156 4.165 4.320 0.002 0.000 0.217 513 A C 1.907 179.322 177.584 -0.283 0.000 1.175 513 A CA 1.284 53.152 52.037 -0.282 0.000 0.627 513 A CB -0.838 17.856 19.000 -0.510 0.000 0.815 513 A HN 0.407 nan 8.150 nan 0.000 0.443 514 Y N -2.000 118.273 120.300 -0.045 0.000 2.181 514 Y HA -0.165 4.386 4.550 0.003 0.000 0.288 514 Y C 2.177 178.199 175.900 0.203 0.000 1.146 514 Y CA 1.832 59.973 58.100 0.067 0.000 1.164 514 Y CB -0.503 37.935 38.460 -0.036 0.000 0.982 514 Y HN 0.419 nan 8.280 nan 0.000 0.515 515 F N 0.331 120.404 119.950 0.205 0.000 2.188 515 F HA -0.080 4.449 4.527 0.002 0.000 0.289 515 F C 2.169 178.097 175.800 0.214 0.000 1.082 515 F CA 1.180 59.313 58.000 0.223 0.000 1.282 515 F CB -0.325 38.808 39.000 0.222 0.000 1.060 515 F HN -0.118 nan 8.300 nan 0.000 0.493 516 Q N 0.026 119.911 119.800 0.143 0.000 2.245 516 Q HA -0.055 4.287 4.340 0.002 0.000 0.201 516 Q C 2.245 178.305 176.000 0.101 0.000 0.955 516 Q CA 0.928 56.764 55.803 0.055 0.000 0.870 516 Q CB -0.236 28.547 28.738 0.074 0.000 0.945 516 Q HN 0.445 nan 8.270 nan 0.000 0.461 517 R N -0.019 120.529 120.500 0.081 0.000 2.123 517 R HA 0.164 4.505 4.340 0.002 0.000 0.209 517 R C 1.898 178.212 176.300 0.024 0.000 1.078 517 R CA 0.240 56.380 56.100 0.065 0.000 1.028 517 R CB 0.381 30.698 30.300 0.028 0.000 0.939 517 R HN 0.146 nan 8.270 nan 0.000 0.463 518 L N -0.646 120.585 121.223 0.013 0.000 2.590 518 L HA 0.312 4.653 4.340 0.002 0.000 0.227 518 L C 0.776 177.685 176.870 0.064 0.000 1.099 518 L CA 0.506 55.365 54.840 0.031 0.000 0.872 518 L CB 0.623 42.703 42.059 0.034 0.000 1.088 518 L HN 0.515 nan 8.230 nan 0.000 0.479 519 G N 1.933 110.770 108.800 0.062 0.000 2.225 519 G HA2 -0.273 3.689 3.960 0.002 0.000 0.264 519 G HA3 -0.273 3.689 3.960 0.002 0.000 0.264 519 G C -0.028 174.987 174.900 0.191 0.000 1.060 519 G CA -0.111 45.029 45.100 0.068 0.000 0.833 519 G HN 0.296 nan 8.290 nan 0.000 0.498 520 I N 1.138 121.889 120.570 0.301 0.000 2.315 520 I HA 0.529 4.701 4.170 0.002 0.000 0.291 520 I C 1.169 177.595 176.117 0.514 0.000 1.006 520 I CA -0.501 61.034 61.300 0.392 0.000 1.265 520 I CB 1.535 39.800 38.000 0.442 0.000 1.387 520 I HN 0.373 nan 8.210 nan 0.000 0.475 521 A N 5.240 128.313 122.820 0.422 0.000 2.580 521 A HA 0.283 4.605 4.320 0.002 0.000 0.244 521 A C 0.148 177.907 177.584 0.291 0.000 1.045 521 A CA 0.559 52.792 52.037 0.328 0.000 0.761 521 A CB -0.094 18.936 19.000 0.051 0.000 0.962 521 A HN 0.698 nan 8.150 nan 0.000 0.512 522 S N 0.326 116.079 115.700 0.088 0.000 2.599 522 S HA 0.889 5.360 4.470 0.002 0.000 0.287 522 S C 0.063 174.535 174.600 -0.213 0.000 1.105 522 S CA -0.039 58.183 58.200 0.038 0.000 0.899 522 S CB 2.275 65.529 63.200 0.091 0.000 1.100 522 S HN 1.583 nan 8.310 nan 0.000 0.482 523 G N 0.911 109.640 108.800 -0.119 0.000 2.704 523 G HA2 0.734 4.696 3.960 0.002 0.000 0.293 523 G HA3 0.734 4.696 3.960 0.002 0.000 0.293 523 G C -1.709 173.092 174.900 -0.164 0.000 1.421 523 G CA -0.952 44.021 45.100 -0.211 0.000 0.870 523 G HN 0.789 nan 8.290 nan 0.000 0.492 524 R N -0.640 119.728 120.500 -0.219 0.000 2.740 524 R HA 0.878 5.219 4.340 0.002 0.000 0.273 524 R C -1.189 175.019 176.300 -0.153 0.000 0.998 524 R CA -0.931 55.081 56.100 -0.146 0.000 0.900 524 R CB 2.062 32.278 30.300 -0.140 0.000 1.223 524 R HN 1.299 nan 8.270 nan 0.000 0.466 525 A N 2.140 124.887 122.820 -0.121 0.000 2.520 525 A HA 0.812 5.134 4.320 0.002 0.000 0.298 525 A C -1.142 176.368 177.584 -0.123 0.000 1.051 525 A CA -0.962 50.975 52.037 -0.167 0.000 0.690 525 A CB 1.627 20.509 19.000 -0.196 0.000 1.281 525 A HN 1.009 nan 8.150 nan 0.000 0.402 526 R N 0.316 120.726 120.500 -0.151 0.000 2.733 526 R HA 0.593 4.935 4.340 0.002 0.000 0.272 526 R C -1.860 174.376 176.300 -0.107 0.000 1.029 526 R CA -0.832 55.224 56.100 -0.072 0.000 0.888 526 R CB 0.614 30.894 30.300 -0.034 0.000 1.251 526 R HN 0.478 nan 8.270 nan 0.000 0.464 527 Y N 0.174 120.393 120.300 -0.135 0.000 2.304 527 Y HA 0.481 5.032 4.550 0.002 0.000 0.327 527 Y C 0.515 176.372 175.900 -0.072 0.000 1.209 527 Y CA 0.958 58.984 58.100 -0.124 0.000 1.299 527 Y CB 2.006 40.397 38.460 -0.116 0.000 1.249 527 Y HN 0.749 nan 8.280 nan 0.000 0.519 528 T N 2.549 117.071 114.554 -0.053 0.000 2.754 528 T HA 0.411 4.762 4.350 0.002 0.000 0.296 528 T C -1.104 173.643 174.700 0.078 0.000 1.205 528 T CA -1.067 61.039 62.100 0.010 0.000 1.009 528 T CB 0.883 69.722 68.868 -0.048 0.000 1.368 528 T HN 0.628 nan 8.240 nan 0.000 0.509 529 K N 1.413 121.854 120.400 0.069 0.000 2.118 529 K HA 0.420 4.741 4.320 0.002 0.000 0.240 529 K C -0.032 176.563 176.600 -0.008 0.000 1.035 529 K CA -0.735 55.577 56.287 0.042 0.000 0.899 529 K CB 0.218 32.703 32.500 -0.026 0.000 1.085 529 K HN 0.383 nan 8.250 nan 0.000 0.498 530 N N 0.936 119.484 118.700 -0.254 0.000 2.437 530 N HA -0.001 4.740 4.740 0.002 0.000 0.243 530 N C 0.267 175.574 175.510 -0.339 0.000 1.041 530 N CA -0.448 52.244 53.050 -0.598 0.000 0.940 530 N CB 1.158 38.842 38.487 -1.339 0.000 1.133 530 N HN 0.777 nan 8.380 nan 0.000 0.506 531 K N 3.185 123.466 120.400 -0.199 0.000 2.283 531 K HA -0.148 4.173 4.320 0.002 0.000 0.202 531 K C 1.071 177.571 176.600 -0.167 0.000 1.048 531 K CA 1.331 57.512 56.287 -0.176 0.000 0.948 531 K CB 0.055 32.486 32.500 -0.115 0.000 0.742 531 K HN 0.394 nan 8.250 nan 0.000 0.458 532 K N 0.670 120.975 120.400 -0.159 0.000 2.366 532 K HA -0.019 4.302 4.320 0.002 0.000 0.198 532 K C 1.595 178.119 176.600 -0.127 0.000 1.044 532 K CA 1.489 57.704 56.287 -0.120 0.000 0.973 532 K CB -0.039 32.412 32.500 -0.081 0.000 0.767 532 K HN 0.333 nan 8.250 nan 0.000 0.475 533 T N -3.294 111.156 114.554 -0.173 0.000 2.955 533 T HA 0.140 4.491 4.350 0.002 0.000 0.251 533 T C -0.246 174.373 174.700 -0.134 0.000 1.002 533 T CA -0.556 61.463 62.100 -0.135 0.000 0.970 533 T CB -0.024 68.763 68.868 -0.135 0.000 1.091 533 T HN -0.041 nan 8.240 nan 0.000 0.495 534 D N 1.658 121.924 120.400 -0.224 0.000 2.392 534 D HA 0.402 5.043 4.640 0.002 0.000 0.228 534 D C 0.250 176.270 176.300 -0.466 0.000 1.074 534 D CA -0.321 53.468 54.000 -0.352 0.000 0.838 534 D CB 2.172 42.671 40.800 -0.502 0.000 1.067 534 D HN 0.158 nan 8.370 nan 0.000 0.511 535 K N 1.746 121.954 120.400 -0.320 0.000 2.367 535 K HA 0.040 4.362 4.320 0.002 0.000 0.194 535 K C 0.068 176.553 176.600 -0.192 0.000 1.027 535 K CA -0.188 55.973 56.287 -0.210 0.000 1.075 535 K CB 0.107 32.561 32.500 -0.078 0.000 0.845 535 K HN 0.449 nan 8.250 nan 0.000 0.529 536 Y N -1.274 118.981 120.300 -0.076 0.000 2.357 536 Y HA 0.394 4.945 4.550 0.002 0.000 0.340 536 Y C 0.304 176.080 175.900 -0.206 0.000 1.260 536 Y CA -1.141 56.869 58.100 -0.150 0.000 1.425 536 Y CB 0.423 38.833 38.460 -0.084 0.000 1.326 536 Y HN -0.286 nan 8.280 nan 0.000 0.580 537 S N 1.498 117.059 115.700 -0.232 0.000 2.632 537 S HA 0.367 4.838 4.470 0.002 0.000 0.271 537 S C 0.374 174.897 174.600 -0.129 0.000 1.260 537 S CA -0.032 58.017 58.200 -0.251 0.000 1.010 537 S CB 0.985 63.995 63.200 -0.318 0.000 0.965 537 S HN 0.943 nan 8.310 nan 0.000 0.534 538 S N 0.330 115.945 115.700 -0.142 0.000 4.046 538 S HA -0.250 4.222 4.470 0.002 0.000 0.572 538 S C -0.354 174.346 174.600 0.167 0.000 2.022 538 S CA 2.167 60.252 58.200 -0.192 0.000 4.201 538 S CB -1.410 61.393 63.200 -0.662 0.000 0.438 538 S HN 0.926 nan 8.310 nan 0.000 0.618 539 Y N -1.389 119.035 120.300 0.207 0.000 2.581 539 Y HA 0.687 5.239 4.550 0.003 0.000 0.345 539 Y C -2.735 173.401 175.900 0.394 0.000 1.036 539 Y CA -2.598 55.715 58.100 0.355 0.000 1.042 539 Y CB 0.408 39.068 38.460 0.332 0.000 1.289 539 Y HN 0.154 nan 8.280 nan 0.000 0.471 540 P HA -0.194 nan 4.420 nan 0.000 0.215 540 P C 1.240 178.760 177.300 0.366 0.000 1.153 540 P CA 2.390 65.716 63.100 0.377 0.000 0.853 540 P CB 0.138 31.953 31.700 0.191 0.000 0.788 541 V N -5.529 114.641 119.914 0.427 0.000 3.577 541 V HA 0.137 4.258 4.120 0.002 0.000 0.294 541 V C 0.558 176.806 176.094 0.257 0.000 1.317 541 V CA -0.764 61.748 62.300 0.353 0.000 1.169 541 V CB -2.173 29.896 31.823 0.409 0.000 1.011 541 V HN -0.032 nan 8.190 nan 0.000 0.426 542 Y N 2.735 122.925 120.300 -0.184 0.000 2.881 542 Y HA 0.018 4.569 4.550 0.002 0.000 0.335 542 Y C 1.127 176.974 175.900 -0.090 0.000 1.263 542 Y CA 0.938 58.764 58.100 -0.457 0.000 1.572 542 Y CB -1.005 36.918 38.460 -0.896 0.000 1.237 542 Y HN 0.657 nan 8.280 nan 0.000 0.568 543 H N 2.026 120.829 119.070 -0.446 0.000 2.992 543 H HA -0.202 4.356 4.556 0.002 0.000 0.266 543 H C 0.329 175.490 175.328 -0.279 0.000 1.200 543 H CA 0.466 56.237 56.048 -0.462 0.000 1.135 543 H CB -1.338 27.891 29.762 -0.888 0.000 1.282 543 H HN 0.772 nan 8.280 nan 0.000 0.351 544 T N -1.728 112.811 114.554 -0.025 0.000 2.919 544 T HA 0.512 4.863 4.350 0.002 0.000 0.282 544 T C 1.610 176.259 174.700 -0.086 0.000 1.020 544 T CA -0.451 61.618 62.100 -0.052 0.000 0.994 544 T CB 1.532 70.424 68.868 0.040 0.000 1.180 544 T HN 0.301 nan 8.240 nan 0.000 0.566 545 I N -1.922 118.494 120.570 -0.256 0.000 2.916 545 I HA 0.055 4.227 4.170 0.002 0.000 0.267 545 I C 0.850 176.751 176.117 -0.359 0.000 1.263 545 I CA 0.813 61.919 61.300 -0.324 0.000 1.471 545 I CB -0.621 37.105 38.000 -0.456 0.000 1.089 545 I HN 0.482 nan 8.210 nan 0.000 0.468 546 Y N 1.682 121.932 120.300 -0.083 0.000 2.461 546 Y HA 0.289 4.840 4.550 0.002 0.000 0.277 546 Y C 0.767 176.574 175.900 -0.154 0.000 1.182 546 Y CA -0.587 57.295 58.100 -0.362 0.000 1.276 546 Y CB -0.354 37.809 38.460 -0.496 0.000 1.087 546 Y HN 0.247 nan 8.280 nan 0.000 0.519 547 E N 1.940 122.228 120.200 0.147 0.000 1.775 547 E HA 0.071 4.423 4.350 0.002 0.000 0.266 547 E C 0.161 176.873 176.600 0.187 0.000 1.191 547 E CA -0.049 56.477 56.400 0.211 0.000 1.048 547 E CB -0.002 29.853 29.700 0.259 0.000 1.081 547 E HN 0.257 nan 8.360 nan 0.000 0.434 548 T N -2.017 112.628 114.554 0.152 0.000 2.940 548 T HA 0.212 4.563 4.350 0.002 0.000 0.288 548 T C 0.796 175.640 174.700 0.240 0.000 1.033 548 T CA -0.876 61.290 62.100 0.110 0.000 1.033 548 T CB 1.019 69.930 68.868 0.071 0.000 1.079 548 T HN 0.278 nan 8.240 nan 0.000 0.496 549 F N 1.459 121.499 119.950 0.150 0.000 2.120 549 F HA -0.116 4.413 4.527 0.002 0.000 0.300 549 F C 2.090 178.011 175.800 0.202 0.000 1.095 549 F CA 1.845 59.960 58.000 0.193 0.000 1.249 549 F CB -0.217 38.898 39.000 0.192 0.000 0.995 549 F HN 0.696 nan 8.300 nan 0.000 0.480 550 E N 0.520 120.882 120.200 0.269 0.000 2.106 550 E HA -0.190 4.161 4.350 0.002 0.000 0.192 550 E C 1.987 178.616 176.600 0.049 0.000 0.984 550 E CA 1.257 57.735 56.400 0.130 0.000 0.806 550 E CB -0.538 29.324 29.700 0.271 0.000 0.750 550 E HN 0.536 nan 8.360 nan 0.000 0.458 551 L N -0.004 121.392 121.223 0.288 0.000 2.012 551 L HA -0.194 4.148 4.340 0.002 0.000 0.210 551 L C 2.046 179.064 176.870 0.247 0.000 1.073 551 L CA 1.331 56.451 54.840 0.466 0.000 0.748 551 L CB -0.231 42.181 42.059 0.588 0.000 0.891 551 L HN 0.021 nan 8.230 nan 0.000 0.431 552 V N -0.168 119.755 119.914 0.015 0.000 2.307 552 V HA -0.279 3.842 4.120 0.002 0.000 0.245 552 V C 2.575 178.540 176.094 -0.215 0.000 1.045 552 V CA 2.173 64.396 62.300 -0.128 0.000 1.024 552 V CB -0.683 31.002 31.823 -0.230 0.000 0.651 552 V HN 0.596 nan 8.190 nan 0.000 0.449 553 E N 0.129 120.129 120.200 -0.334 0.000 2.107 553 E HA -0.261 4.091 4.350 0.002 0.000 0.191 553 E C 2.248 178.713 176.600 -0.226 0.000 0.982 553 E CA 1.441 57.685 56.400 -0.259 0.000 0.809 553 E CB 0.060 29.552 29.700 -0.346 0.000 0.756 553 E HN 0.567 nan 8.360 nan 0.000 0.459 554 K N -0.908 119.287 120.400 -0.342 0.000 2.076 554 K HA -0.059 4.262 4.320 0.002 0.000 0.204 554 K C 1.438 177.762 176.600 -0.461 0.000 1.051 554 K CA 1.165 57.128 56.287 -0.541 0.000 0.949 554 K CB 0.057 31.934 32.500 -1.038 0.000 0.726 554 K HN 0.049 nan 8.250 nan 0.000 0.443 555 F N -1.837 118.117 119.950 0.008 0.000 2.653 555 F HA 0.200 4.728 4.527 0.002 0.000 0.288 555 F C 1.260 176.831 175.800 -0.381 0.000 1.121 555 F CA -0.083 57.852 58.000 -0.109 0.000 1.384 555 F CB -0.006 38.992 39.000 -0.003 0.000 1.115 555 F HN -0.051 nan 8.300 nan 0.000 0.599 556 Y N -0.673 119.537 120.300 -0.150 0.000 2.422 556 Y HA 0.170 4.721 4.550 0.002 0.000 0.291 556 Y C 0.284 176.014 175.900 -0.284 0.000 1.144 556 Y CA 0.528 58.470 58.100 -0.264 0.000 1.208 556 Y CB 0.519 38.808 38.460 -0.284 0.000 1.195 556 Y HN -0.195 nan 8.280 nan 0.000 0.535 557 D N -1.154 119.121 120.400 -0.207 0.000 3.036 557 D HA 0.169 4.810 4.640 0.002 0.000 0.244 557 D C -2.473 173.615 176.300 -0.353 0.000 1.337 557 D CA -1.432 52.373 54.000 -0.325 0.000 0.829 557 D CB 0.691 41.209 40.800 -0.470 0.000 1.478 557 D HN -0.115 nan 8.370 nan 0.000 0.570 558 P HA -0.119 nan 4.420 nan 0.000 0.218 558 P C 1.323 178.691 177.300 0.114 0.000 1.148 558 P CA 1.271 64.352 63.100 -0.032 0.000 0.822 558 P CB -0.038 31.642 31.700 -0.034 0.000 0.784 559 T N -5.697 108.887 114.554 0.051 0.000 3.081 559 T HA 0.032 4.384 4.350 0.002 0.000 0.255 559 T C 0.871 175.709 174.700 0.230 0.000 1.113 559 T CA -0.132 62.034 62.100 0.111 0.000 1.082 559 T CB -1.207 67.678 68.868 0.028 0.000 0.939 559 T HN -0.027 nan 8.240 nan 0.000 0.506 560 F N 0.315 120.222 119.950 -0.072 0.000 2.973 560 F HA -0.226 4.302 4.527 0.002 0.000 0.299 560 F C 1.487 177.233 175.800 -0.090 0.000 0.737 560 F CA 0.572 58.531 58.000 -0.070 0.000 1.151 560 F CB -1.367 37.616 39.000 -0.029 0.000 1.440 560 F HN 0.156 nan 8.300 nan 0.000 0.367 561 K N 0.572 120.955 120.400 -0.029 0.000 2.155 561 K HA -0.045 4.277 4.320 0.002 0.000 0.203 561 K C 1.814 178.306 176.600 -0.180 0.000 1.052 561 K CA 1.377 57.620 56.287 -0.073 0.000 0.948 561 K CB -0.155 32.301 32.500 -0.074 0.000 0.728 561 K HN 0.449 nan 8.250 nan 0.000 0.448 562 K N 0.923 121.133 120.400 -0.318 0.000 2.057 562 K HA -0.110 4.212 4.320 0.002 0.000 0.206 562 K C 2.290 178.658 176.600 -0.387 0.000 1.050 562 K CA 1.137 57.073 56.287 -0.586 0.000 0.935 562 K CB -0.045 31.918 32.500 -0.895 0.000 0.715 562 K HN 0.174 nan 8.250 nan 0.000 0.439 563 Q N 0.711 120.358 119.800 -0.255 0.000 2.096 563 Q HA -0.181 4.160 4.340 0.002 0.000 0.204 563 Q C 2.162 178.138 176.000 -0.039 0.000 0.982 563 Q CA 1.189 56.927 55.803 -0.109 0.000 0.850 563 Q CB -0.192 28.514 28.738 -0.054 0.000 0.901 563 Q HN 0.172 nan 8.270 nan 0.000 0.422 564 L N 0.822 122.029 121.223 -0.027 0.000 2.042 564 L HA -0.203 4.139 4.340 0.002 0.000 0.210 564 L C 2.337 179.179 176.870 -0.047 0.000 1.076 564 L CA 2.320 57.150 54.840 -0.018 0.000 0.749 564 L CB -0.784 41.267 42.059 -0.014 0.000 0.893 564 L HN 0.249 nan 8.230 nan 0.000 0.432 565 S N -1.784 113.874 115.700 -0.070 0.000 2.382 565 S HA -0.152 4.319 4.470 0.002 0.000 0.228 565 S C 1.904 176.489 174.600 -0.026 0.000 1.027 565 S CA 1.365 59.539 58.200 -0.045 0.000 0.991 565 S CB -1.183 61.998 63.200 -0.033 0.000 0.823 565 S HN 0.269 nan 8.310 nan 0.000 0.469 566 V N 2.437 122.339 119.914 -0.020 0.000 2.358 566 V HA -0.044 4.077 4.120 0.002 0.000 0.246 566 V C 3.165 179.243 176.094 -0.026 0.000 1.047 566 V CA 1.507 63.799 62.300 -0.013 0.000 1.035 566 V CB -1.500 30.327 31.823 0.007 0.000 0.658 566 V HN 0.671 nan 8.190 nan 0.000 0.452 567 A N -0.642 122.164 122.820 -0.024 0.000 1.902 567 A HA -0.291 4.030 4.320 0.002 0.000 0.217 567 A C 2.183 179.736 177.584 -0.051 0.000 1.181 567 A CA 1.963 53.984 52.037 -0.027 0.000 0.623 567 A CB -0.469 18.520 19.000 -0.019 0.000 0.818 567 A HN 0.622 nan 8.150 nan 0.000 0.443 568 Q N -1.205 118.557 119.800 -0.064 0.000 2.084 568 Q HA -0.151 4.190 4.340 0.002 0.000 0.202 568 Q C 2.104 178.069 176.000 -0.058 0.000 0.978 568 Q CA 1.455 57.206 55.803 -0.086 0.000 0.844 568 Q CB -0.321 28.367 28.738 -0.085 0.000 0.898 568 Q HN 0.588 nan 8.270 nan 0.000 0.426 569 L N 0.903 122.102 121.223 -0.039 0.000 2.027 569 L HA -0.146 4.196 4.340 0.002 0.000 0.206 569 L C 2.117 178.976 176.870 -0.018 0.000 1.074 569 L CA 1.705 56.529 54.840 -0.027 0.000 0.745 569 L CB -0.260 41.768 42.059 -0.052 0.000 0.898 569 L HN -0.003 nan 8.230 nan 0.000 0.433 570 R N -0.611 119.874 120.500 -0.025 0.000 2.081 570 R HA -0.100 4.242 4.340 0.002 0.000 0.235 570 R C 2.200 178.514 176.300 0.023 0.000 1.131 570 R CA 1.254 57.347 56.100 -0.012 0.000 0.960 570 R CB -1.001 29.289 30.300 -0.018 0.000 0.856 570 R HN 0.579 nan 8.270 nan 0.000 0.436 571 G N 0.551 109.362 108.800 0.017 0.000 2.402 571 G HA2 -0.222 3.740 3.960 0.002 0.000 0.216 571 G HA3 -0.222 3.740 3.960 0.002 0.000 0.216 571 G C 1.540 176.488 174.900 0.080 0.000 1.162 571 G CA 0.670 45.801 45.100 0.051 0.000 0.777 571 G HN 0.402 nan 8.290 nan 0.000 0.539 572 A N 0.464 123.299 122.820 0.024 0.000 1.933 572 A HA 0.132 4.453 4.320 0.002 0.000 0.218 572 A C 2.415 180.093 177.584 0.157 0.000 1.175 572 A CA 1.100 53.189 52.037 0.086 0.000 0.628 572 A CB -0.353 18.669 19.000 0.036 0.000 0.814 572 A HN 0.354 nan 8.150 nan 0.000 0.444 573 L N -0.670 120.615 121.223 0.102 0.000 2.017 573 L HA -0.186 4.155 4.340 0.002 0.000 0.208 573 L C 2.571 179.505 176.870 0.106 0.000 1.073 573 L CA 1.302 56.199 54.840 0.094 0.000 0.745 573 L CB -0.585 41.503 42.059 0.049 0.000 0.894 573 L HN 0.250 nan 8.230 nan 0.000 0.432 574 V N -0.915 119.069 119.914 0.118 0.000 2.287 574 V HA -0.364 3.758 4.120 0.002 0.000 0.248 574 V C 2.215 178.412 176.094 0.173 0.000 1.053 574 V CA 2.147 64.506 62.300 0.097 0.000 1.027 574 V CB -0.731 31.138 31.823 0.077 0.000 0.646 574 V HN 0.435 nan 8.190 nan 0.000 0.447 575 Y N 1.164 121.625 120.300 0.269 0.000 2.128 575 Y HA -0.222 4.330 4.550 0.002 0.000 0.284 575 Y C 2.632 178.641 175.900 0.181 0.000 1.154 575 Y CA 2.059 60.337 58.100 0.297 0.000 1.149 575 Y CB -0.146 38.414 38.460 0.168 0.000 0.976 575 Y HN 0.242 nan 8.280 nan 0.000 0.505 576 E N 0.281 120.501 120.200 0.033 0.000 2.106 576 E HA -0.151 4.200 4.350 0.002 0.000 0.192 576 E C 2.305 178.848 176.600 -0.095 0.000 0.984 576 E CA 1.265 57.637 56.400 -0.047 0.000 0.806 576 E CB -0.408 29.353 29.700 0.102 0.000 0.750 576 E HN 0.553 nan 8.360 nan 0.000 0.458 577 L N 0.071 121.265 121.223 -0.049 0.000 2.156 577 L HA -0.082 4.259 4.340 0.002 0.000 0.208 577 L C 2.462 179.270 176.870 -0.104 0.000 1.095 577 L CA 0.505 55.302 54.840 -0.073 0.000 0.770 577 L CB -0.163 41.890 42.059 -0.011 0.000 0.914 577 L HN -0.018 nan 8.230 nan 0.000 0.439 578 V N -1.072 118.776 119.914 -0.110 0.000 3.052 578 V HA -0.130 3.991 4.120 0.002 0.000 0.254 578 V C 1.435 177.455 176.094 -0.123 0.000 1.100 578 V CA 1.610 63.849 62.300 -0.103 0.000 1.112 578 V CB 0.309 32.081 31.823 -0.086 0.000 0.738 578 V HN 0.373 nan 8.190 nan 0.000 0.469 579 D N -1.202 119.067 120.400 -0.219 0.000 2.454 579 D HA 0.145 4.786 4.640 0.002 0.000 0.214 579 D C 1.091 177.319 176.300 -0.121 0.000 1.088 579 D CA 0.392 54.280 54.000 -0.186 0.000 0.855 579 D CB 0.470 41.058 40.800 -0.355 0.000 1.025 579 D HN 0.341 nan 8.370 nan 0.000 0.502 580 S N 0.369 115.993 115.700 -0.126 0.000 2.549 580 S HA 0.046 4.517 4.470 0.002 0.000 0.279 580 S C 1.263 175.836 174.600 -0.044 0.000 1.321 580 S CA -0.311 57.855 58.200 -0.056 0.000 1.054 580 S CB 1.119 64.292 63.200 -0.045 0.000 0.899 580 S HN 0.138 nan 8.310 nan 0.000 0.497 581 K N 3.792 124.182 120.400 -0.017 0.000 2.009 581 K HA -0.028 4.294 4.320 0.002 0.000 0.210 581 K C 0.331 176.915 176.600 -0.028 0.000 1.049 581 K CA 1.129 57.405 56.287 -0.018 0.000 0.929 581 K CB -0.025 32.474 32.500 -0.003 0.000 0.714 581 K HN 0.597 nan 8.250 nan 0.000 0.440 582 I N 2.677 123.235 120.570 -0.020 0.000 2.331 582 I HA 0.148 4.319 4.170 0.002 0.000 0.292 582 I C 0.197 176.284 176.117 -0.051 0.000 0.998 582 I CA -0.720 60.567 61.300 -0.021 0.000 1.267 582 I CB 1.103 39.107 38.000 0.006 0.000 1.386 582 I HN 0.150 nan 8.210 nan 0.000 0.476 583 I N 8.916 129.424 120.570 -0.104 0.000 2.741 583 I HA -0.031 4.140 4.170 0.002 0.000 0.288 583 I C -1.503 174.491 176.117 -0.205 0.000 1.192 583 I CA -0.741 60.409 61.300 -0.249 0.000 1.426 583 I CB 0.266 38.010 38.000 -0.426 0.000 1.367 583 I HN 0.345 nan 8.210 nan 0.000 0.563 584 P HA 0.194 nan 4.420 nan 0.000 0.214 584 P C -0.839 176.579 177.300 0.197 0.000 1.826 584 P CA -0.026 63.093 63.100 0.031 0.000 0.977 584 P CB -0.271 31.459 31.700 0.050 0.000 1.930 585 F N 0.697 120.741 119.950 0.157 0.000 2.432 585 F HA 0.445 4.974 4.527 0.003 0.000 0.329 585 F C 0.999 176.950 175.800 0.252 0.000 1.076 585 F CA -1.663 56.441 58.000 0.174 0.000 1.018 585 F CB 0.960 40.067 39.000 0.180 0.000 1.201 585 F HN 0.029 nan 8.300 nan 0.000 0.489 586 N N 2.553 121.494 118.700 0.401 0.000 2.442 586 N HA 0.246 4.987 4.740 0.002 0.000 0.274 586 N C 0.233 175.948 175.510 0.340 0.000 1.002 586 N CA -0.299 52.941 53.050 0.317 0.000 0.910 586 N CB 1.242 39.793 38.487 0.107 0.000 1.244 586 N HN 0.318 nan 8.380 nan 0.000 0.492 587 I N 2.586 123.513 120.570 0.594 0.000 2.716 587 I HA -0.095 4.077 4.170 0.002 0.000 0.259 587 I C 2.019 178.376 176.117 0.401 0.000 1.172 587 I CA 0.893 62.483 61.300 0.483 0.000 1.478 587 I CB -0.717 37.502 38.000 0.366 0.000 1.104 587 I HN 0.603 nan 8.210 nan 0.000 0.439 588 Q N 0.608 120.554 119.800 0.244 0.000 2.224 588 Q HA -0.192 4.150 4.340 0.002 0.000 0.203 588 Q C 1.532 177.648 176.000 0.193 0.000 0.970 588 Q CA 1.197 57.114 55.803 0.190 0.000 0.865 588 Q CB -0.035 28.740 28.738 0.061 0.000 0.922 588 Q HN 0.471 nan 8.270 nan 0.000 0.445 589 D N -0.253 120.243 120.400 0.159 0.000 2.178 589 D HA -0.148 4.493 4.640 0.002 0.000 0.202 589 D C 1.494 177.867 176.300 0.122 0.000 0.974 589 D CA 0.903 54.988 54.000 0.141 0.000 0.841 589 D CB -0.111 40.754 40.800 0.109 0.000 0.953 589 D HN 0.215 nan 8.370 nan 0.000 0.478 590 Y N 1.472 121.830 120.300 0.097 0.000 2.200 590 Y HA -0.067 4.484 4.550 0.002 0.000 0.290 590 Y C 2.318 178.272 175.900 0.091 0.000 1.137 590 Y CA 0.767 58.918 58.100 0.085 0.000 1.163 590 Y CB -0.621 37.974 38.460 0.224 0.000 0.988 590 Y HN -0.068 nan 8.280 nan 0.000 0.518 591 A N -0.280 122.834 122.820 0.490 0.000 1.902 591 A HA -0.241 4.080 4.320 0.002 0.000 0.217 591 A C 2.157 179.854 177.584 0.187 0.000 1.181 591 A CA 1.977 54.261 52.037 0.412 0.000 0.623 591 A CB -0.706 18.574 19.000 0.468 0.000 0.818 591 A HN 0.445 nan 8.150 nan 0.000 0.443 592 E N 0.255 120.544 120.200 0.148 0.000 2.077 592 E HA -0.053 4.298 4.350 0.002 0.000 0.193 592 E C 1.995 178.569 176.600 -0.043 0.000 0.989 592 E CA 1.604 58.046 56.400 0.071 0.000 0.800 592 E CB -0.470 29.285 29.700 0.091 0.000 0.746 592 E HN 0.462 nan 8.360 nan 0.000 0.452 593 A N 0.603 123.365 122.820 -0.096 0.000 1.902 593 A HA -0.139 4.182 4.320 0.002 0.000 0.217 593 A C 2.314 179.437 177.584 -0.768 0.000 1.181 593 A CA 1.508 53.288 52.037 -0.428 0.000 0.623 593 A CB -0.804 18.010 19.000 -0.311 0.000 0.818 593 A HN 0.355 nan 8.150 nan 0.000 0.443 594 L N -0.845 120.169 121.223 -0.348 0.000 2.083 594 L HA -0.218 4.123 4.340 0.002 0.000 0.209 594 L C 2.561 179.382 176.870 -0.081 0.000 1.083 594 L CA 1.699 56.405 54.840 -0.224 0.000 0.752 594 L CB -0.460 41.503 42.059 -0.160 0.000 0.899 594 L HN 0.382 nan 8.230 nan 0.000 0.433 595 K N -0.163 120.211 120.400 -0.043 0.000 2.057 595 K HA -0.188 4.134 4.320 0.002 0.000 0.207 595 K C 2.007 178.637 176.600 0.049 0.000 1.049 595 K CA 1.425 57.747 56.287 0.057 0.000 0.931 595 K CB -0.285 32.263 32.500 0.081 0.000 0.714 595 K HN 0.305 nan 8.250 nan 0.000 0.440 596 N N 0.465 119.123 118.700 -0.071 0.000 2.142 596 N HA -0.173 4.568 4.740 0.002 0.000 0.186 596 N C 1.627 177.205 175.510 0.114 0.000 1.023 596 N CA 1.416 54.457 53.050 -0.015 0.000 0.852 596 N CB -0.000 38.428 38.487 -0.097 0.000 0.998 596 N HN 0.157 nan 8.380 nan 0.000 0.424 597 Y N 1.178 121.531 120.300 0.088 0.000 2.293 597 Y HA 0.090 4.642 4.550 0.003 0.000 0.291 597 Y C 2.644 178.734 175.900 0.316 0.000 1.137 597 Y CA 0.459 58.623 58.100 0.106 0.000 1.202 597 Y CB -1.207 37.128 38.460 -0.208 0.000 0.990 597 Y HN 0.124 nan 8.280 nan 0.000 0.537 598 A N 0.190 123.262 122.820 0.420 0.000 1.898 598 A HA -0.040 4.282 4.320 0.002 0.000 0.216 598 A C 2.533 180.186 177.584 0.116 0.000 1.181 598 A CA 1.738 53.836 52.037 0.102 0.000 0.620 598 A CB -1.114 17.720 19.000 -0.276 0.000 0.819 598 A HN 0.356 nan 8.150 nan 0.000 0.442 599 A N -0.771 122.208 122.820 0.266 0.000 1.902 599 A HA -0.114 4.207 4.320 0.002 0.000 0.217 599 A C 2.481 180.226 177.584 0.269 0.000 1.181 599 A CA 2.189 54.426 52.037 0.334 0.000 0.623 599 A CB -0.942 18.210 19.000 0.253 0.000 0.818 599 A HN 0.554 nan 8.150 nan 0.000 0.443 600 S N -0.787 115.059 115.700 0.243 0.000 2.356 600 S HA -0.147 4.325 4.470 0.002 0.000 0.223 600 S C 1.887 176.608 174.600 0.202 0.000 1.032 600 S CA 1.532 59.863 58.200 0.218 0.000 1.005 600 S CB -0.394 62.952 63.200 0.243 0.000 0.867 600 S HN 0.456 nan 8.310 nan 0.000 0.449 601 I N 0.521 121.227 120.570 0.226 0.000 2.353 601 I HA -0.013 4.158 4.170 0.002 0.000 0.248 601 I C 1.908 177.998 176.117 -0.045 0.000 1.119 601 I CA 1.211 62.622 61.300 0.185 0.000 1.417 601 I CB -0.629 37.542 38.000 0.286 0.000 1.078 601 I HN 0.492 nan 8.210 nan 0.000 0.421 602 Y N 1.347 121.456 120.300 -0.319 0.000 2.181 602 Y HA -0.259 4.293 4.550 0.002 0.000 0.288 602 Y C 2.287 178.074 175.900 -0.189 0.000 1.146 602 Y CA 1.906 59.678 58.100 -0.546 0.000 1.164 602 Y CB -0.549 37.790 38.460 -0.202 0.000 0.982 602 Y HN 0.242 nan 8.280 nan 0.000 0.515 603 N N 0.392 119.059 118.700 -0.055 0.000 2.166 603 N HA -0.170 4.571 4.740 0.002 0.000 0.186 603 N C 1.918 177.377 175.510 -0.085 0.000 1.019 603 N CA 1.554 54.549 53.050 -0.092 0.000 0.856 603 N CB -0.596 37.916 38.487 0.042 0.000 0.993 603 N HN 0.411 nan 8.380 nan 0.000 0.426 604 L N 0.537 121.761 121.223 0.001 0.000 2.131 604 L HA -0.128 4.214 4.340 0.002 0.000 0.210 604 L C 2.138 179.044 176.870 0.060 0.000 1.092 604 L CA 1.184 56.058 54.840 0.057 0.000 0.759 604 L CB -0.413 41.730 42.059 0.140 0.000 0.903 604 L HN 0.260 nan 8.230 nan 0.000 0.435 605 S N -1.050 114.665 115.700 0.026 0.000 2.527 605 S HA -0.078 4.393 4.470 0.002 0.000 0.222 605 S C 1.762 176.379 174.600 0.029 0.000 0.985 605 S CA 0.174 58.479 58.200 0.176 0.000 0.921 605 S CB -0.080 63.253 63.200 0.222 0.000 0.772 605 S HN 0.347 nan 8.310 nan 0.000 0.529 606 K N 1.933 122.231 120.400 -0.170 0.000 2.147 606 K HA -0.124 4.198 4.320 0.002 0.000 0.205 606 K C 2.046 178.565 176.600 -0.135 0.000 1.049 606 K CA 1.670 57.841 56.287 -0.193 0.000 0.936 606 K CB -0.214 32.154 32.500 -0.220 0.000 0.722 606 K HN 0.718 nan 8.250 nan 0.000 0.446 607 K N 0.048 120.332 120.400 -0.193 0.000 2.442 607 K HA -0.095 4.226 4.320 0.002 0.000 0.198 607 K C 0.769 177.178 176.600 -0.318 0.000 1.042 607 K CA 1.263 57.389 56.287 -0.268 0.000 0.958 607 K CB 0.016 32.308 32.500 -0.347 0.000 0.766 607 K HN 0.221 nan 8.250 nan 0.000 0.474 608 H N 0.266 119.366 119.070 0.049 0.000 2.505 608 H HA 0.074 4.632 4.556 0.003 0.000 0.286 608 H C 0.361 175.669 175.328 -0.033 0.000 1.072 608 H CA 0.039 56.132 56.048 0.075 0.000 1.141 608 H CB 0.366 30.291 29.762 0.272 0.000 1.550 608 H HN 0.381 nan 8.280 nan 0.000 0.547 609 D N 1.343 121.761 120.400 0.030 0.000 2.116 609 D HA -0.220 4.421 4.640 0.002 0.000 0.193 609 D C 2.239 178.519 176.300 -0.032 0.000 0.998 609 D CA 1.373 55.369 54.000 -0.005 0.000 0.836 609 D CB 0.408 41.196 40.800 -0.019 0.000 0.951 609 D HN 0.137 nan 8.370 nan 0.000 0.449 610 Q N -0.214 119.572 119.800 -0.024 0.000 2.135 610 Q HA -0.180 4.161 4.340 0.002 0.000 0.204 610 Q C 2.008 177.958 176.000 -0.084 0.000 0.981 610 Q CA 1.649 57.430 55.803 -0.038 0.000 0.856 610 Q CB -0.275 28.454 28.738 -0.014 0.000 0.902 610 Q HN 0.308 nan 8.270 nan 0.000 0.425 611 Q N -0.545 119.183 119.800 -0.119 0.000 2.172 611 Q HA 0.012 4.353 4.340 0.002 0.000 0.200 611 Q C 1.988 177.653 176.000 -0.559 0.000 0.964 611 Q CA 1.057 56.686 55.803 -0.291 0.000 0.855 611 Q CB -0.143 28.379 28.738 -0.360 0.000 0.918 611 Q HN 0.400 nan 8.270 nan 0.000 0.444 612 L N -0.473 120.452 121.223 -0.496 0.000 2.046 612 L HA -0.204 4.138 4.340 0.002 0.000 0.208 612 L C 2.120 178.883 176.870 -0.178 0.000 1.077 612 L CA 1.519 56.140 54.840 -0.366 0.000 0.747 612 L CB -0.901 41.095 42.059 -0.105 0.000 0.896 612 L HN 0.240 nan 8.230 nan 0.000 0.432 613 T N -0.956 113.526 114.554 -0.119 0.000 2.737 613 T HA -0.159 4.192 4.350 0.002 0.000 0.265 613 T C 1.468 176.104 174.700 -0.106 0.000 1.038 613 T CA 1.489 63.543 62.100 -0.077 0.000 1.144 613 T CB -0.238 68.599 68.868 -0.052 0.000 0.866 613 T HN 0.293 nan 8.240 nan 0.000 0.434 614 D N 0.477 120.790 120.400 -0.146 0.000 2.178 614 D HA -0.063 4.579 4.640 0.002 0.000 0.202 614 D C 1.666 177.768 176.300 -0.330 0.000 0.974 614 D CA 1.004 54.872 54.000 -0.220 0.000 0.841 614 D CB -0.211 40.445 40.800 -0.240 0.000 0.953 614 D HN 0.514 nan 8.370 nan 0.000 0.478 615 H N -0.890 118.049 119.070 -0.218 0.000 2.529 615 H HA 0.279 4.836 4.556 0.002 0.000 0.277 615 H C 0.952 176.221 175.328 -0.098 0.000 1.004 615 H CA 0.544 56.499 56.048 -0.155 0.000 1.167 615 H CB 0.696 30.318 29.762 -0.233 0.000 1.445 615 H HN 0.092 nan 8.280 nan 0.000 0.554 616 G N 1.727 110.510 108.800 -0.027 0.000 2.295 616 G HA2 -0.262 3.699 3.960 0.002 0.000 0.287 616 G HA3 -0.262 3.699 3.960 0.002 0.000 0.287 616 G C 0.004 174.902 174.900 -0.003 0.000 1.055 616 G CA 0.356 45.447 45.100 -0.015 0.000 0.922 616 G HN 0.201 nan 8.290 nan 0.000 0.503 617 V N 0.905 120.804 119.914 -0.024 0.000 2.407 617 V HA 0.773 4.894 4.120 0.002 0.000 0.278 617 V C 0.579 176.667 176.094 -0.010 0.000 1.037 617 V CA 0.149 62.432 62.300 -0.027 0.000 0.900 617 V CB 1.571 33.374 31.823 -0.033 0.000 0.983 617 V HN 1.119 nan 8.190 nan 0.000 0.459 618 S N 3.292 118.970 115.700 -0.037 0.000 2.549 618 S HA 0.657 5.128 4.470 0.002 0.000 0.280 618 S C -0.460 174.123 174.600 -0.028 0.000 1.109 618 S CA -0.615 57.620 58.200 0.059 0.000 0.905 618 S CB 1.465 64.714 63.200 0.081 0.000 1.081 618 S HN 0.334 nan 8.310 nan 0.000 0.477 619 F N 0.906 120.968 119.950 0.187 0.000 2.732 619 F HA 0.214 4.743 4.527 0.002 0.000 0.303 619 F C 1.349 177.269 175.800 0.199 0.000 1.110 619 F CA -0.283 57.825 58.000 0.180 0.000 1.355 619 F CB 0.017 39.205 39.000 0.313 0.000 1.081 619 F HN 0.529 nan 8.300 nan 0.000 0.565 620 D N 0.065 120.629 120.400 0.274 0.000 2.123 620 D HA -0.197 4.444 4.640 0.002 0.000 0.196 620 D C 2.433 178.840 176.300 0.178 0.000 0.992 620 D CA 1.954 56.086 54.000 0.219 0.000 0.833 620 D CB -0.424 40.448 40.800 0.120 0.000 0.954 620 D HN 0.269 nan 8.370 nan 0.000 0.455 621 S N 0.092 115.854 115.700 0.103 0.000 2.402 621 S HA -0.128 4.344 4.470 0.002 0.000 0.229 621 S C 1.987 176.619 174.600 0.055 0.000 1.021 621 S CA 0.488 58.730 58.200 0.070 0.000 0.974 621 S CB -0.501 62.721 63.200 0.037 0.000 0.800 621 S HN 0.196 nan 8.310 nan 0.000 0.484 622 L N 0.558 121.788 121.223 0.011 0.000 2.027 622 L HA 0.199 4.540 4.340 0.002 0.000 0.206 622 L C 2.067 178.868 176.870 -0.115 0.000 1.074 622 L CA 1.629 56.401 54.840 -0.113 0.000 0.745 622 L CB -0.968 40.943 42.059 -0.246 0.000 0.898 622 L HN 0.252 nan 8.230 nan 0.000 0.433 623 F N -0.911 119.065 119.950 0.042 0.000 2.234 623 F HA -0.158 4.370 4.527 0.002 0.000 0.299 623 F C 2.929 178.754 175.800 0.042 0.000 1.087 623 F CA 1.527 59.543 58.000 0.026 0.000 1.340 623 F CB -0.996 37.991 39.000 -0.022 0.000 1.031 623 F HN 0.195 nan 8.300 nan 0.000 0.500 624 S N -0.134 115.687 115.700 0.202 0.000 2.368 624 S HA -0.135 4.337 4.470 0.002 0.000 0.224 624 S C 2.326 176.998 174.600 0.121 0.000 1.029 624 S CA 1.066 59.349 58.200 0.140 0.000 0.988 624 S CB -0.493 62.772 63.200 0.108 0.000 0.838 624 S HN 0.277 nan 8.310 nan 0.000 0.462 625 A N 0.844 123.725 122.820 0.102 0.000 1.902 625 A HA 0.012 4.334 4.320 0.002 0.000 0.217 625 A C 2.333 180.006 177.584 0.149 0.000 1.181 625 A CA 1.739 53.838 52.037 0.105 0.000 0.623 625 A CB -1.045 17.998 19.000 0.072 0.000 0.818 625 A HN 0.453 nan 8.150 nan 0.000 0.443 626 V N 0.391 120.383 119.914 0.129 0.000 2.343 626 V HA -0.276 3.846 4.120 0.002 0.000 0.247 626 V C 2.549 178.770 176.094 0.212 0.000 1.051 626 V CA 2.389 64.786 62.300 0.160 0.000 1.036 626 V CB -0.653 31.234 31.823 0.107 0.000 0.654 626 V HN 0.725 nan 8.190 nan 0.000 0.451 627 K N 0.297 120.806 120.400 0.183 0.000 2.057 627 K HA -0.228 4.094 4.320 0.002 0.000 0.207 627 K C 1.981 178.671 176.600 0.150 0.000 1.049 627 K CA 1.953 58.335 56.287 0.159 0.000 0.931 627 K CB -0.180 32.399 32.500 0.132 0.000 0.714 627 K HN 0.433 nan 8.250 nan 0.000 0.440 628 N N 0.301 119.088 118.700 0.144 0.000 2.188 628 N HA -0.153 4.589 4.740 0.002 0.000 0.184 628 N C 1.527 177.112 175.510 0.126 0.000 1.018 628 N CA 1.004 54.122 53.050 0.113 0.000 0.858 628 N CB -0.416 38.128 38.487 0.095 0.000 0.989 628 N HN 0.201 nan 8.380 nan 0.000 0.426 629 F N 1.266 121.245 119.950 0.049 0.000 2.134 629 F HA -0.147 4.382 4.527 0.003 0.000 0.299 629 F C 2.636 178.479 175.800 0.072 0.000 1.097 629 F CA 1.174 59.202 58.000 0.048 0.000 1.264 629 F CB -0.298 38.739 39.000 0.063 0.000 1.001 629 F HN -0.036 nan 8.300 nan 0.000 0.479 630 S N -0.268 115.610 115.700 0.297 0.000 2.368 630 S HA -0.273 4.199 4.470 0.002 0.000 0.225 630 S C 2.139 176.794 174.600 0.093 0.000 1.030 630 S CA 1.630 59.957 58.200 0.212 0.000 0.999 630 S CB -0.608 62.714 63.200 0.203 0.000 0.844 630 S HN 0.665 nan 8.310 nan 0.000 0.459 631 E N 0.323 120.566 120.200 0.070 0.000 2.077 631 E HA -0.111 4.241 4.350 0.002 0.000 0.193 631 E C 2.098 178.701 176.600 0.006 0.000 0.989 631 E CA 1.085 57.511 56.400 0.043 0.000 0.800 631 E CB -0.426 29.300 29.700 0.043 0.000 0.746 631 E HN 0.599 nan 8.360 nan 0.000 0.452 632 A N 1.075 123.858 122.820 -0.061 0.000 1.930 632 A HA -0.046 4.276 4.320 0.002 0.000 0.217 632 A C 2.366 179.888 177.584 -0.103 0.000 1.175 632 A CA 1.669 53.641 52.037 -0.109 0.000 0.627 632 A CB -0.662 18.207 19.000 -0.218 0.000 0.815 632 A HN 0.421 nan 8.150 nan 0.000 0.443 633 A N 0.347 123.060 122.820 -0.179 0.000 1.930 633 A HA -0.053 4.268 4.320 0.002 0.000 0.217 633 A C 2.509 180.220 177.584 0.210 0.000 1.175 633 A CA 2.174 54.198 52.037 -0.021 0.000 0.627 633 A CB -0.902 18.088 19.000 -0.016 0.000 0.815 633 A HN 0.902 nan 8.150 nan 0.000 0.443 634 S N 0.436 116.220 115.700 0.139 0.000 2.355 634 S HA -0.187 4.284 4.470 0.002 0.000 0.222 634 S C 1.452 176.134 174.600 0.137 0.000 1.031 634 S CA 1.431 59.722 58.200 0.151 0.000 0.993 634 S CB -0.603 62.657 63.200 0.100 0.000 0.859 634 S HN 0.483 nan 8.310 nan 0.000 0.453 635 D N 0.835 121.291 120.400 0.093 0.000 2.144 635 D HA -0.014 4.628 4.640 0.002 0.000 0.199 635 D C 1.508 177.845 176.300 0.062 0.000 0.984 635 D CA 0.829 54.867 54.000 0.063 0.000 0.834 635 D CB -0.508 40.318 40.800 0.042 0.000 0.955 635 D HN 0.472 nan 8.370 nan 0.000 0.465 636 F N 1.292 121.215 119.950 -0.045 0.000 2.102 636 F HA -0.205 4.324 4.527 0.003 0.000 0.298 636 F C 2.421 178.140 175.800 -0.135 0.000 1.105 636 F CA 1.570 59.505 58.000 -0.109 0.000 1.239 636 F CB -0.177 38.722 39.000 -0.168 0.000 0.991 636 F HN 0.063 nan 8.300 nan 0.000 0.474 637 H N 0.402 119.504 119.070 0.054 0.000 2.423 637 H HA -0.084 4.473 4.556 0.002 0.000 0.297 637 H C 2.123 177.399 175.328 -0.086 0.000 1.075 637 H CA 1.556 57.591 56.048 -0.022 0.000 1.342 637 H CB -0.129 29.700 29.762 0.112 0.000 1.395 637 H HN 0.355 nan 8.280 nan 0.000 0.530 638 K N 0.483 120.902 120.400 0.032 0.000 2.097 638 K HA -0.079 4.242 4.320 0.002 0.000 0.206 638 K C 2.338 178.888 176.600 -0.083 0.000 1.049 638 K CA 0.826 57.109 56.287 -0.007 0.000 0.933 638 K CB 0.115 32.620 32.500 0.008 0.000 0.717 638 K HN 0.185 nan 8.250 nan 0.000 0.442 639 R N 0.385 120.784 120.500 -0.167 0.000 2.119 639 R HA -0.041 4.301 4.340 0.002 0.000 0.222 639 R C 2.280 178.413 176.300 -0.278 0.000 1.088 639 R CA 0.577 56.553 56.100 -0.207 0.000 0.984 639 R CB -0.313 29.848 30.300 -0.233 0.000 0.884 639 R HN 0.110 nan 8.270 nan 0.000 0.447 640 L N 1.971 122.933 121.223 -0.435 0.000 2.083 640 L HA -0.116 4.225 4.340 0.002 0.000 0.209 640 L C 2.129 178.896 176.870 -0.172 0.000 1.083 640 L CA 1.487 56.088 54.840 -0.399 0.000 0.752 640 L CB -0.355 41.377 42.059 -0.546 0.000 0.899 640 L HN 0.184 nan 8.230 nan 0.000 0.433 641 I N -3.504 117.007 120.570 -0.100 0.000 2.756 641 I HA -0.136 4.036 4.170 0.002 0.000 0.262 641 I C 1.528 177.618 176.117 -0.045 0.000 1.225 641 I CA 0.903 62.179 61.300 -0.038 0.000 1.472 641 I CB -0.492 37.507 38.000 -0.002 0.000 1.094 641 I HN 0.246 nan 8.210 nan 0.000 0.454 642 Q N 1.290 121.049 119.800 -0.068 0.000 2.392 642 Q HA 0.283 4.625 4.340 0.002 0.000 0.203 642 Q C 0.866 176.832 176.000 -0.057 0.000 0.917 642 Q CA 0.070 55.840 55.803 -0.054 0.000 0.939 642 Q CB 0.244 28.948 28.738 -0.056 0.000 1.063 642 Q HN 0.464 nan 8.270 nan 0.000 0.516 643 V N 2.817 122.687 119.914 -0.073 0.000 2.763 643 V HA -0.070 4.051 4.120 0.002 0.000 0.306 643 V C -0.018 176.052 176.094 -0.039 0.000 1.059 643 V CA -0.058 62.204 62.300 -0.064 0.000 1.138 643 V CB 0.882 32.659 31.823 -0.077 0.000 0.940 643 V HN 0.141 nan 8.190 nan 0.000 0.489 644 D N 5.159 125.540 120.400 -0.032 0.000 2.344 644 D HA 0.100 4.742 4.640 0.002 0.000 0.253 644 D C 0.973 177.262 176.300 -0.018 0.000 1.255 644 D CA 0.186 54.173 54.000 -0.021 0.000 0.894 644 D CB 0.707 41.496 40.800 -0.018 0.000 1.067 644 D HN 0.549 nan 8.370 nan 0.000 0.492 645 L N 3.247 124.462 121.223 -0.013 0.000 2.456 645 L HA -0.063 4.278 4.340 0.002 0.000 0.224 645 L C 1.372 178.238 176.870 -0.007 0.000 1.148 645 L CA 0.435 55.269 54.840 -0.010 0.000 0.825 645 L CB -0.181 41.876 42.059 -0.004 0.000 0.937 645 L HN 0.332 nan 8.230 nan 0.000 0.450 646 N N -0.226 118.470 118.700 -0.006 0.000 2.270 646 N HA -0.009 4.732 4.740 0.002 0.000 0.198 646 N C 0.152 175.658 175.510 -0.007 0.000 1.117 646 N CA 0.209 53.256 53.050 -0.004 0.000 0.845 646 N CB -0.005 38.480 38.487 -0.002 0.000 0.980 646 N HN 0.178 nan 8.380 nan 0.000 0.486 647 N N 1.507 120.201 118.700 -0.009 0.000 2.558 647 N HA 0.236 4.977 4.740 0.002 0.000 0.242 647 N C -2.030 173.473 175.510 -0.011 0.000 0.979 647 N CA -1.837 51.207 53.050 -0.010 0.000 0.931 647 N CB 1.867 40.347 38.487 -0.012 0.000 1.122 647 N HN -0.134 nan 8.380 nan 0.000 0.508 648 P HA -0.046 nan 4.420 nan 0.000 0.217 648 P C 1.527 178.819 177.300 -0.012 0.000 1.150 648 P CA 0.605 63.698 63.100 -0.012 0.000 0.832 648 P CB 0.526 32.219 31.700 -0.011 0.000 0.787 649 I N -0.437 120.126 120.570 -0.011 0.000 2.353 649 I HA -0.122 4.049 4.170 0.002 0.000 0.248 649 I C 2.216 178.327 176.117 -0.010 0.000 1.119 649 I CA 1.138 62.432 61.300 -0.010 0.000 1.417 649 I CB -1.855 36.140 38.000 -0.008 0.000 1.078 649 I HN -0.098 nan 8.210 nan 0.000 0.421 650 A N 0.777 123.589 122.820 -0.012 0.000 1.902 650 A HA -0.141 4.180 4.320 0.002 0.000 0.217 650 A C 2.565 180.139 177.584 -0.017 0.000 1.181 650 A CA 1.787 53.814 52.037 -0.016 0.000 0.623 650 A CB -0.943 18.044 19.000 -0.021 0.000 0.818 650 A HN 0.227 nan 8.150 nan 0.000 0.443 651 V N 0.004 119.908 119.914 -0.017 0.000 2.295 651 V HA -0.245 3.876 4.120 0.002 0.000 0.246 651 V C 2.690 178.779 176.094 -0.008 0.000 1.049 651 V CA 2.420 64.711 62.300 -0.016 0.000 1.024 651 V CB -0.786 31.027 31.823 -0.016 0.000 0.648 651 V HN 0.658 nan 8.190 nan 0.000 0.447 652 R N 0.056 120.551 120.500 -0.009 0.000 2.096 652 R HA -0.098 4.243 4.340 0.002 0.000 0.235 652 R C 2.150 178.452 176.300 0.004 0.000 1.127 652 R CA 1.859 57.954 56.100 -0.008 0.000 0.968 652 R CB -0.488 29.805 30.300 -0.013 0.000 0.861 652 R HN 0.476 nan 8.270 nan 0.000 0.440 653 M N -0.658 118.946 119.600 0.007 0.000 2.117 653 M HA -0.149 4.332 4.480 0.002 0.000 0.262 653 M C 1.976 178.307 176.300 0.051 0.000 1.065 653 M CA 1.532 56.844 55.300 0.020 0.000 1.114 653 M CB -0.214 32.395 32.600 0.014 0.000 1.361 653 M HN 0.156 nan 8.290 nan 0.000 0.408 654 M N -0.341 119.292 119.600 0.054 0.000 2.200 654 M HA -0.112 4.369 4.480 0.002 0.000 0.265 654 M C 1.534 177.926 176.300 0.152 0.000 1.066 654 M CA 1.233 56.608 55.300 0.126 0.000 1.127 654 M CB -1.337 31.280 32.600 0.028 0.000 1.379 654 M HN 0.275 nan 8.290 nan 0.000 0.420 655 N N 1.242 119.982 118.700 0.067 0.000 2.223 655 N HA -0.143 4.598 4.740 0.002 0.000 0.185 655 N C 1.192 176.726 175.510 0.039 0.000 1.016 655 N CA 1.244 54.317 53.050 0.039 0.000 0.863 655 N CB -0.337 38.145 38.487 -0.008 0.000 0.983 655 N HN 0.302 nan 8.380 nan 0.000 0.429 656 D N 0.855 121.276 120.400 0.034 0.000 2.144 656 D HA -0.092 4.550 4.640 0.002 0.000 0.200 656 D C 1.931 178.245 176.300 0.024 0.000 0.978 656 D CA 0.804 54.817 54.000 0.022 0.000 0.833 656 D CB -0.135 40.672 40.800 0.010 0.000 0.961 656 D HN 0.384 nan 8.370 nan 0.000 0.470 657 Q N -0.186 119.637 119.800 0.038 0.000 2.084 657 Q HA -0.062 4.280 4.340 0.002 0.000 0.202 657 Q C 2.414 178.361 176.000 -0.088 0.000 0.978 657 Q CA 0.660 56.439 55.803 -0.039 0.000 0.844 657 Q CB -0.036 28.698 28.738 -0.006 0.000 0.898 657 Q HN 0.308 nan 8.270 nan 0.000 0.426 658 L N 0.104 121.345 121.223 0.030 0.000 2.046 658 L HA -0.195 4.147 4.340 0.002 0.000 0.208 658 L C 2.575 179.607 176.870 0.270 0.000 1.077 658 L CA 1.112 56.037 54.840 0.143 0.000 0.747 658 L CB -0.340 41.828 42.059 0.182 0.000 0.896 658 L HN 0.346 nan 8.230 nan 0.000 0.432 659 M N -0.497 119.209 119.600 0.176 0.000 2.175 659 M HA -0.181 4.301 4.480 0.002 0.000 0.264 659 M C 1.810 178.211 176.300 0.168 0.000 1.063 659 M CA 1.750 57.181 55.300 0.219 0.000 1.119 659 M CB 0.111 32.771 32.600 0.101 0.000 1.377 659 M HN 0.201 nan 8.290 nan 0.000 0.415 660 L N 0.137 121.402 121.223 0.069 0.000 2.592 660 L HA -0.015 4.327 4.340 0.002 0.000 0.227 660 L C 2.066 178.902 176.870 -0.056 0.000 1.127 660 L CA -0.425 54.421 54.840 0.009 0.000 0.884 660 L CB -0.276 41.769 42.059 -0.023 0.000 1.065 660 L HN 0.409 nan 8.230 nan 0.000 0.457 661 L N 0.613 121.809 121.223 -0.045 0.000 2.017 661 L HA -0.210 4.132 4.340 0.002 0.000 0.208 661 L C 2.303 179.059 176.870 -0.189 0.000 1.073 661 L CA 2.048 56.797 54.840 -0.151 0.000 0.745 661 L CB -0.295 41.710 42.059 -0.089 0.000 0.894 661 L HN 0.316 nan 8.230 nan 0.000 0.432 662 E N -0.073 120.152 120.200 0.041 0.000 2.160 662 E HA -0.209 4.143 4.350 0.002 0.000 0.195 662 E C 2.161 178.773 176.600 0.021 0.000 0.991 662 E CA 1.025 57.542 56.400 0.197 0.000 0.810 662 E CB 0.050 29.938 29.700 0.313 0.000 0.742 662 E HN 0.285 nan 8.360 nan 0.000 0.466 663 R N -0.152 120.325 120.500 -0.037 0.000 2.148 663 R HA 0.013 4.354 4.340 0.002 0.000 0.227 663 R C 2.079 178.269 176.300 -0.183 0.000 1.103 663 R CA 1.002 57.058 56.100 -0.073 0.000 0.983 663 R CB -0.791 29.487 30.300 -0.037 0.000 0.874 663 R HN 0.245 nan 8.270 nan 0.000 0.451 664 A N 0.326 122.943 122.820 -0.338 0.000 2.067 664 A HA -0.074 4.248 4.320 0.002 0.000 0.219 664 A C 1.388 178.690 177.584 -0.470 0.000 1.158 664 A CA 0.798 52.574 52.037 -0.434 0.000 0.661 664 A CB -0.489 18.168 19.000 -0.572 0.000 0.801 664 A HN 0.159 nan 8.150 nan 0.000 0.452 665 F N -0.093 119.669 119.950 -0.313 0.000 2.811 665 F HA 0.219 4.747 4.527 0.002 0.000 0.301 665 F C 0.531 176.066 175.800 -0.441 0.000 1.151 665 F CA -0.512 57.212 58.000 -0.459 0.000 1.412 665 F CB -0.041 38.503 39.000 -0.760 0.000 1.113 665 F HN 0.018 nan 8.300 nan 0.000 0.579 666 I N 1.194 121.666 120.570 -0.163 0.000 2.325 666 I HA 0.094 4.265 4.170 0.002 0.000 0.291 666 I C -0.151 175.952 176.117 -0.023 0.000 1.019 666 I CA -0.348 60.894 61.300 -0.096 0.000 1.302 666 I CB 0.524 38.481 38.000 -0.073 0.000 1.401 666 I HN -0.084 nan 8.210 nan 0.000 0.485 667 D N 9.666 130.075 120.400 0.014 0.000 2.349 667 D HA 0.304 4.945 4.640 0.002 0.000 0.232 667 D C -1.648 174.664 176.300 0.020 0.000 1.071 667 D CA -2.061 51.968 54.000 0.048 0.000 0.832 667 D CB 2.336 43.185 40.800 0.082 0.000 1.086 667 D HN 0.211 nan 8.370 nan 0.000 0.504 668 P HA -0.077 nan 4.420 nan 0.000 0.225 668 P C 1.500 178.778 177.300 -0.036 0.000 1.148 668 P CA 0.539 63.630 63.100 -0.014 0.000 0.779 668 P CB 0.457 32.151 31.700 -0.009 0.000 0.780 669 L N -1.692 119.519 121.223 -0.021 0.000 2.478 669 L HA 0.134 4.475 4.340 0.002 0.000 0.223 669 L C 1.449 178.290 176.870 -0.049 0.000 1.140 669 L CA 0.566 55.384 54.840 -0.037 0.000 0.842 669 L CB -1.229 40.819 42.059 -0.018 0.000 0.953 669 L HN 0.112 nan 8.230 nan 0.000 0.452 670 G N 0.395 109.176 108.800 -0.032 0.000 2.750 670 G HA2 -0.256 3.706 3.960 0.002 0.000 0.228 670 G HA3 -0.256 3.706 3.960 0.002 0.000 0.228 670 G C -0.598 174.314 174.900 0.019 0.000 1.367 670 G CA -0.631 44.450 45.100 -0.032 0.000 0.871 670 G HN 0.048 nan 8.290 nan 0.000 0.560 671 L N 0.916 122.155 121.223 0.027 0.000 2.387 671 L HA 0.483 4.825 4.340 0.002 0.000 0.266 671 L C -1.806 175.070 176.870 0.010 0.000 1.059 671 L CA -2.011 52.853 54.840 0.040 0.000 0.801 671 L CB 1.572 43.665 42.059 0.058 0.000 1.223 671 L HN 0.335 nan 8.230 nan 0.000 0.456 672 P HA 0.030 nan 4.420 nan 0.000 0.262 672 P C 0.568 177.854 177.300 -0.022 0.000 1.199 672 P CA 0.836 63.941 63.100 0.009 0.000 0.763 672 P CB 0.515 32.222 31.700 0.012 0.000 0.790 673 G N 2.865 111.642 108.800 -0.037 0.000 2.189 673 G HA2 -0.299 3.663 3.960 0.002 0.000 0.267 673 G HA3 -0.299 3.663 3.960 0.002 0.000 0.267 673 G C 0.075 174.922 174.900 -0.089 0.000 0.975 673 G CA 0.042 45.109 45.100 -0.056 0.000 0.644 673 G HN 0.571 nan 8.290 nan 0.000 0.537 674 K N -0.025 120.310 120.400 -0.108 0.000 2.752 674 K HA 0.471 4.792 4.320 0.002 0.000 0.199 674 K C 1.274 177.730 176.600 -0.240 0.000 1.069 674 K CA -0.669 55.519 56.287 -0.165 0.000 1.033 674 K CB 0.793 33.242 32.500 -0.085 0.000 1.229 674 K HN 0.120 nan 8.250 nan 0.000 0.572 675 L N 0.793 121.757 121.223 -0.431 0.000 2.265 675 L HA -0.102 4.240 4.340 0.002 0.000 0.215 675 L C 0.892 177.294 176.870 -0.779 0.000 1.117 675 L CA 1.584 56.008 54.840 -0.693 0.000 0.782 675 L CB -0.200 41.195 42.059 -1.107 0.000 0.914 675 L HN 0.493 nan 8.230 nan 0.000 0.441 676 F N -2.673 117.172 119.950 -0.175 0.000 2.678 676 F HA 0.178 4.707 4.527 0.002 0.000 0.305 676 F C -0.032 175.739 175.800 -0.048 0.000 1.090 676 F CA -0.706 57.189 58.000 -0.174 0.000 1.272 676 F CB 0.106 38.950 39.000 -0.260 0.000 1.060 676 F HN -0.146 nan 8.300 nan 0.000 0.576 677 Y N 0.997 121.308 120.300 0.018 0.000 2.417 677 Y HA 0.459 5.010 4.550 0.003 0.000 0.336 677 Y C 1.055 176.957 175.900 0.003 0.000 0.961 677 Y CA -1.544 56.566 58.100 0.016 0.000 1.215 677 Y CB 0.646 39.109 38.460 0.005 0.000 1.120 677 Y HN 0.029 nan 8.280 nan 0.000 0.499 678 R N -0.121 120.487 120.500 0.179 0.000 2.419 678 R HA 0.065 4.406 4.340 0.002 0.000 0.235 678 R C 0.079 176.431 176.300 0.088 0.000 0.899 678 R CA -0.208 55.948 56.100 0.092 0.000 1.048 678 R CB 0.571 30.899 30.300 0.047 0.000 1.182 678 R HN 0.431 nan 8.270 nan 0.000 0.544 679 H N 1.568 120.638 119.070 0.000 0.000 2.767 679 H HA 0.078 4.636 4.556 0.002 0.000 0.316 679 H C 1.047 176.361 175.328 -0.023 0.000 1.059 679 H CA 0.117 56.142 56.048 -0.038 0.000 1.461 679 H CB 1.002 30.674 29.762 -0.149 0.000 1.475 679 H HN -0.041 nan 8.280 nan 0.000 0.531 680 I N 5.606 126.230 120.570 0.090 0.000 2.876 680 I HA -0.187 3.984 4.170 0.002 0.000 0.264 680 I C 1.903 178.034 176.117 0.023 0.000 1.204 680 I CA 0.427 61.788 61.300 0.103 0.000 1.485 680 I CB -0.290 37.784 38.000 0.123 0.000 1.103 680 I HN 0.560 nan 8.210 nan 0.000 0.446 681 I N -0.446 120.086 120.570 -0.064 0.000 2.585 681 I HA 0.019 4.190 4.170 0.002 0.000 0.254 681 I C 0.656 176.215 176.117 -0.929 0.000 1.129 681 I CA 0.889 61.763 61.300 -0.709 0.000 1.455 681 I CB -0.644 36.703 38.000 -1.088 0.000 1.111 681 I HN -0.098 nan 8.210 nan 0.000 0.433 682 F N 0.267 120.078 119.950 -0.232 0.000 2.563 682 F HA 0.719 5.247 4.527 0.002 0.000 0.316 682 F C 0.061 175.730 175.800 -0.218 0.000 1.076 682 F CA -0.834 56.981 58.000 -0.309 0.000 0.921 682 F CB 1.993 40.805 39.000 -0.313 0.000 1.209 682 F HN -0.151 nan 8.300 nan 0.000 0.462 683 A N 2.257 125.054 122.820 -0.038 0.000 2.609 683 A HA 0.849 5.170 4.320 0.002 0.000 0.291 683 A C -3.115 174.322 177.584 -0.245 0.000 1.096 683 A CA -2.047 49.872 52.037 -0.197 0.000 0.684 683 A CB 1.616 20.500 19.000 -0.193 0.000 1.282 683 A HN 0.379 nan 8.150 nan 0.000 0.412 684 P HA 0.125 nan 4.420 nan 0.000 0.266 684 P C 0.123 177.309 177.300 -0.190 0.000 1.195 684 P CA 0.305 63.235 63.100 -0.283 0.000 0.768 684 P CB 0.645 32.129 31.700 -0.361 0.000 0.838 685 S N 1.964 117.583 115.700 -0.134 0.000 2.560 685 S HA 0.026 4.497 4.470 0.002 0.000 0.284 685 S C 1.472 176.003 174.600 -0.115 0.000 1.327 685 S CA 0.195 58.320 58.200 -0.126 0.000 1.055 685 S CB -0.139 63.003 63.200 -0.096 0.000 0.868 685 S HN 0.488 nan 8.310 nan 0.000 0.506 686 S N 3.510 119.103 115.700 -0.178 0.000 2.507 686 S HA -0.062 4.409 4.470 0.002 0.000 0.235 686 S C 1.132 175.455 174.600 -0.462 0.000 0.988 686 S CA 0.650 58.671 58.200 -0.298 0.000 0.944 686 S CB -0.470 62.499 63.200 -0.384 0.000 0.762 686 S HN 0.892 nan 8.310 nan 0.000 0.526 687 H N 0.794 119.794 119.070 -0.117 0.000 2.648 687 H HA 0.359 4.916 4.556 0.002 0.000 0.265 687 H C 0.068 175.359 175.328 -0.062 0.000 0.961 687 H CA 0.210 56.190 56.048 -0.114 0.000 1.185 687 H CB 0.235 29.892 29.762 -0.174 0.000 1.449 687 H HN 0.464 nan 8.280 nan 0.000 0.523 688 N N 0.829 119.542 118.700 0.022 0.000 3.049 688 N HA -0.033 4.709 4.740 0.002 0.000 0.241 688 N C 0.699 176.197 175.510 -0.021 0.000 1.323 688 N CA -0.214 52.848 53.050 0.020 0.000 0.824 688 N CB 0.968 39.478 38.487 0.039 0.000 1.557 688 N HN 0.122 nan 8.380 nan 0.000 0.612 689 K N 1.617 121.975 120.400 -0.071 0.000 2.280 689 K HA -0.118 4.204 4.320 0.002 0.000 0.202 689 K C 0.284 176.839 176.600 -0.075 0.000 1.047 689 K CA 1.106 57.308 56.287 -0.141 0.000 0.942 689 K CB -0.175 32.167 32.500 -0.263 0.000 0.739 689 K HN 0.356 nan 8.250 nan 0.000 0.457 690 Y N 1.472 121.748 120.300 -0.040 0.000 2.421 690 Y HA 0.104 4.656 4.550 0.003 0.000 0.292 690 Y C 1.349 177.230 175.900 -0.032 0.000 1.136 690 Y CA -0.038 58.045 58.100 -0.029 0.000 1.255 690 Y CB -0.530 37.938 38.460 0.014 0.000 0.991 690 Y HN 0.169 nan 8.280 nan 0.000 0.552 691 A N 0.061 122.943 122.820 0.103 0.000 2.306 691 A HA 0.646 4.967 4.320 0.002 0.000 0.314 691 A C 0.774 178.332 177.584 -0.043 0.000 1.164 691 A CA -0.046 52.000 52.037 0.015 0.000 0.822 691 A CB 0.140 19.134 19.000 -0.009 0.000 1.130 691 A HN 0.275 nan 8.150 nan 0.000 0.496 692 G N 0.381 109.139 108.800 -0.071 0.000 2.395 692 G HA2 0.501 4.462 3.960 0.002 0.000 0.283 692 G HA3 0.501 4.462 3.960 0.002 0.000 0.283 692 G C -0.517 174.309 174.900 -0.122 0.000 1.178 692 G CA -0.116 44.926 45.100 -0.097 0.000 0.837 692 G HN 0.712 nan 8.290 nan 0.000 0.518 693 E N 0.225 120.339 120.200 -0.142 0.000 2.222 693 E HA 0.515 4.867 4.350 0.002 0.000 0.267 693 E C 0.105 176.575 176.600 -0.216 0.000 0.884 693 E CA -0.632 55.629 56.400 -0.232 0.000 0.764 693 E CB 1.479 30.989 29.700 -0.316 0.000 1.169 693 E HN 0.504 nan 8.360 nan 0.000 0.413 694 S N 2.625 118.131 115.700 -0.324 0.000 2.616 694 S HA 0.447 4.918 4.470 0.002 0.000 0.277 694 S C -0.266 174.171 174.600 -0.272 0.000 1.234 694 S CA -0.610 57.242 58.200 -0.580 0.000 1.028 694 S CB 0.103 62.654 63.200 -1.082 0.000 0.988 694 S HN 0.530 nan 8.310 nan 0.000 0.522 695 F N 0.287 120.092 119.950 -0.241 0.000 2.783 695 F HA -0.097 4.431 4.527 0.002 0.000 0.222 695 F C -1.196 174.610 175.800 0.010 0.000 1.028 695 F CA 0.245 58.202 58.000 -0.071 0.000 0.862 695 F CB -1.902 37.113 39.000 0.026 0.000 0.744 695 F HN 0.552 nan 8.300 nan 0.000 0.850 696 P HA -0.163 nan 4.420 nan 0.000 0.218 696 P C 1.834 179.187 177.300 0.088 0.000 1.148 696 P CA 2.020 65.168 63.100 0.079 0.000 0.822 696 P CB 0.059 31.756 31.700 -0.006 0.000 0.784 697 G N 0.344 109.172 108.800 0.047 0.000 2.402 697 G HA2 -0.176 3.786 3.960 0.002 0.000 0.216 697 G HA3 -0.176 3.786 3.960 0.002 0.000 0.216 697 G C 1.676 176.516 174.900 -0.101 0.000 1.162 697 G CA 0.464 45.453 45.100 -0.185 0.000 0.777 697 G HN 0.246 nan 8.290 nan 0.000 0.539 698 I N -0.983 119.671 120.570 0.141 0.000 2.233 698 I HA -0.083 4.088 4.170 0.002 0.000 0.243 698 I C 2.430 178.664 176.117 0.195 0.000 1.093 698 I CA 0.907 62.318 61.300 0.186 0.000 1.380 698 I CB -0.373 37.761 38.000 0.223 0.000 1.067 698 I HN 0.192 nan 8.210 nan 0.000 0.413 699 Y N 2.208 122.593 120.300 0.142 0.000 2.128 699 Y HA -0.341 4.211 4.550 0.002 0.000 0.284 699 Y C 2.184 178.174 175.900 0.150 0.000 1.154 699 Y CA 2.003 60.199 58.100 0.159 0.000 1.149 699 Y CB -0.177 38.364 38.460 0.134 0.000 0.976 699 Y HN 0.172 nan 8.280 nan 0.000 0.505 700 D N -0.159 120.384 120.400 0.238 0.000 2.178 700 D HA -0.111 4.530 4.640 0.002 0.000 0.202 700 D C 2.200 178.529 176.300 0.049 0.000 0.974 700 D CA 1.227 55.317 54.000 0.150 0.000 0.841 700 D CB -0.460 40.382 40.800 0.071 0.000 0.953 700 D HN 0.494 nan 8.370 nan 0.000 0.478 701 A N 0.520 123.333 122.820 -0.012 0.000 1.930 701 A HA -0.082 4.240 4.320 0.002 0.000 0.217 701 A C 2.144 179.635 177.584 -0.155 0.000 1.175 701 A CA 0.704 52.710 52.037 -0.051 0.000 0.627 701 A CB -0.315 18.702 19.000 0.027 0.000 0.815 701 A HN 0.169 nan 8.150 nan 0.000 0.443 702 I N -1.751 118.741 120.570 -0.131 0.000 3.030 702 I HA 0.051 4.222 4.170 0.002 0.000 0.270 702 I C 0.638 176.625 176.117 -0.215 0.000 1.211 702 I CA 0.137 61.293 61.300 -0.240 0.000 1.479 702 I CB -0.550 37.411 38.000 -0.065 0.000 1.105 702 I HN 0.333 nan 8.210 nan 0.000 0.447 703 F N 3.222 123.005 119.950 -0.280 0.000 2.602 703 F HA -0.061 4.467 4.527 0.002 0.000 0.385 703 F C 1.156 176.906 175.800 -0.083 0.000 1.063 703 F CA 0.370 58.248 58.000 -0.203 0.000 1.233 703 F CB 0.004 38.931 39.000 -0.121 0.000 1.067 703 F HN 0.139 nan 8.300 nan 0.000 0.564 704 D N 4.286 124.197 120.400 -0.816 0.000 2.911 704 D HA -0.316 4.325 4.640 0.002 0.000 0.227 704 D C 1.180 177.289 176.300 -0.318 0.000 1.164 704 D CA 1.219 54.883 54.000 -0.559 0.000 0.782 704 D CB -1.430 39.112 40.800 -0.430 0.000 1.094 704 D HN 0.715 nan 8.370 nan 0.000 0.425 705 I N 0.352 120.715 120.570 -0.346 0.000 2.454 705 I HA -0.246 3.925 4.170 0.002 0.000 0.254 705 I C 2.276 178.214 176.117 -0.298 0.000 1.156 705 I CA 1.660 62.703 61.300 -0.428 0.000 1.433 705 I CB -0.033 37.486 38.000 -0.802 0.000 1.082 705 I HN 0.251 nan 8.210 nan 0.000 0.432 706 E N 0.267 120.368 120.200 -0.166 0.000 2.333 706 E HA -0.236 4.116 4.350 0.002 0.000 0.198 706 E C 0.793 177.342 176.600 -0.084 0.000 1.007 706 E CA 1.037 57.410 56.400 -0.045 0.000 0.845 706 E CB -0.591 29.136 29.700 0.044 0.000 0.766 706 E HN 0.575 nan 8.360 nan 0.000 0.507 707 N N 0.769 119.383 118.700 -0.143 0.000 2.280 707 N HA 0.039 4.780 4.740 0.002 0.000 0.192 707 N C -0.104 175.345 175.510 -0.102 0.000 1.109 707 N CA -0.000 52.971 53.050 -0.132 0.000 0.855 707 N CB 0.441 38.808 38.487 -0.200 0.000 0.974 707 N HN 0.041 nan 8.380 nan 0.000 0.482 708 K N 0.959 121.289 120.400 -0.117 0.000 2.382 708 K HA 0.182 4.504 4.320 0.002 0.000 0.275 708 K C 1.015 177.579 176.600 -0.061 0.000 1.009 708 K CA -0.093 56.136 56.287 -0.096 0.000 0.970 708 K CB 1.124 33.534 32.500 -0.150 0.000 0.934 708 K HN -0.019 nan 8.250 nan 0.000 0.479 709 A N 3.088 125.884 122.820 -0.039 0.000 1.933 709 A HA -0.157 4.165 4.320 0.002 0.000 0.218 709 A C 0.988 178.567 177.584 -0.009 0.000 1.175 709 A CA 1.373 53.399 52.037 -0.019 0.000 0.628 709 A CB -0.111 18.882 19.000 -0.010 0.000 0.814 709 A HN 0.705 nan 8.150 nan 0.000 0.444 710 N N -0.421 118.269 118.700 -0.017 0.000 2.626 710 N HA 0.184 4.926 4.740 0.002 0.000 0.242 710 N C 0.806 176.313 175.510 -0.005 0.000 1.005 710 N CA 0.575 53.627 53.050 0.004 0.000 0.905 710 N CB 1.401 39.890 38.487 0.003 0.000 1.128 710 N HN 0.255 nan 8.380 nan 0.000 0.512 711 S N 3.568 119.293 115.700 0.042 0.000 2.402 711 S HA -0.066 4.406 4.470 0.002 0.000 0.229 711 S C 1.668 176.326 174.600 0.097 0.000 1.021 711 S CA 0.594 58.826 58.200 0.053 0.000 0.974 711 S CB 0.051 63.370 63.200 0.200 0.000 0.800 711 S HN 0.548 nan 8.310 nan 0.000 0.484 712 R N 0.409 121.031 120.500 0.203 0.000 2.073 712 R HA 0.070 4.412 4.340 0.002 0.000 0.234 712 R C 2.406 178.781 176.300 0.124 0.000 1.134 712 R CA 1.430 57.684 56.100 0.257 0.000 0.952 712 R CB -0.675 29.750 30.300 0.209 0.000 0.850 712 R HN 0.397 nan 8.270 nan 0.000 0.433 713 L N 0.642 121.895 121.223 0.050 0.000 2.046 713 L HA -0.085 4.257 4.340 0.002 0.000 0.208 713 L C 2.241 179.083 176.870 -0.048 0.000 1.077 713 L CA 1.893 56.738 54.840 0.008 0.000 0.747 713 L CB -0.531 41.524 42.059 -0.005 0.000 0.896 713 L HN 0.142 nan 8.230 nan 0.000 0.432 714 A N -1.097 121.644 122.820 -0.131 0.000 1.877 714 A HA -0.244 4.077 4.320 0.002 0.000 0.216 714 A C 2.061 179.421 177.584 -0.373 0.000 1.186 714 A CA 1.913 53.773 52.037 -0.294 0.000 0.620 714 A CB -1.371 17.355 19.000 -0.457 0.000 0.822 714 A HN 0.666 nan 8.150 nan 0.000 0.443 715 W N -0.000 121.176 121.300 -0.206 0.000 2.402 715 W HA -0.011 4.650 4.660 0.002 0.000 0.286 715 W C 2.262 178.720 176.519 -0.101 0.000 1.221 715 W CA 1.152 58.369 57.345 -0.214 0.000 1.257 715 W CB 0.064 29.264 29.460 -0.433 0.000 1.120 715 W HN 0.231 nan 8.180 nan 0.000 0.551 716 K N 0.211 120.681 120.400 0.117 0.000 2.147 716 K HA -0.218 4.104 4.320 0.002 0.000 0.205 716 K C 1.717 178.323 176.600 0.010 0.000 1.049 716 K CA 1.629 57.955 56.287 0.065 0.000 0.936 716 K CB -0.181 32.348 32.500 0.048 0.000 0.722 716 K HN 0.030 nan 8.250 nan 0.000 0.446 717 E N 0.781 120.975 120.200 -0.011 0.000 2.106 717 E HA -0.135 4.217 4.350 0.002 0.000 0.192 717 E C 1.717 178.351 176.600 0.058 0.000 0.984 717 E CA 0.873 57.278 56.400 0.008 0.000 0.806 717 E CB 0.068 29.786 29.700 0.030 0.000 0.750 717 E HN -0.010 nan 8.360 nan 0.000 0.458 718 V N 1.007 120.933 119.914 0.021 0.000 2.295 718 V HA -0.273 3.849 4.120 0.002 0.000 0.246 718 V C 2.184 178.291 176.094 0.021 0.000 1.049 718 V CA 2.196 64.527 62.300 0.052 0.000 1.024 718 V CB -0.463 31.412 31.823 0.087 0.000 0.648 718 V HN 0.258 nan 8.190 nan 0.000 0.447 719 K N 0.092 120.503 120.400 0.018 0.000 2.097 719 K HA -0.232 4.089 4.320 0.002 0.000 0.206 719 K C 2.284 178.833 176.600 -0.084 0.000 1.049 719 K CA 1.553 57.816 56.287 -0.040 0.000 0.933 719 K CB -0.233 32.264 32.500 -0.005 0.000 0.717 719 K HN 0.387 nan 8.250 nan 0.000 0.442 720 K N 0.564 120.889 120.400 -0.124 0.000 2.026 720 K HA -0.187 4.134 4.320 0.002 0.000 0.208 720 K C 1.890 178.308 176.600 -0.302 0.000 1.048 720 K CA 1.443 57.583 56.287 -0.244 0.000 0.929 720 K CB -0.015 32.270 32.500 -0.358 0.000 0.713 720 K HN 0.291 nan 8.250 nan 0.000 0.439 721 H N 0.201 119.261 119.070 -0.017 0.000 2.470 721 H HA 0.006 4.564 4.556 0.002 0.000 0.289 721 H C 2.212 177.524 175.328 -0.028 0.000 1.033 721 H CA 1.110 57.158 56.048 0.001 0.000 1.331 721 H CB 0.043 29.820 29.762 0.024 0.000 1.414 721 H HN 0.239 nan 8.280 nan 0.000 0.545 722 I N 0.010 120.569 120.570 -0.018 0.000 2.226 722 I HA -0.258 3.914 4.170 0.002 0.000 0.245 722 I C 2.717 178.792 176.117 -0.070 0.000 1.100 722 I CA 1.080 62.309 61.300 -0.117 0.000 1.374 722 I CB -0.179 37.652 38.000 -0.280 0.000 1.057 722 I HN 0.115 nan 8.210 nan 0.000 0.413 723 S N 0.946 116.613 115.700 -0.054 0.000 2.368 723 S HA -0.138 4.333 4.470 0.002 0.000 0.225 723 S C 2.047 176.682 174.600 0.058 0.000 1.030 723 S CA 1.257 59.450 58.200 -0.012 0.000 0.999 723 S CB -0.292 62.884 63.200 -0.041 0.000 0.844 723 S HN 0.309 nan 8.310 nan 0.000 0.459 724 I N 1.477 122.079 120.570 0.053 0.000 2.226 724 I HA -0.156 4.015 4.170 0.002 0.000 0.245 724 I C 2.794 179.031 176.117 0.200 0.000 1.100 724 I CA 1.150 62.541 61.300 0.151 0.000 1.374 724 I CB -0.528 37.547 38.000 0.125 0.000 1.057 724 I HN 0.373 nan 8.210 nan 0.000 0.413 725 A N 0.704 123.601 122.820 0.129 0.000 1.902 725 A HA -0.147 4.174 4.320 0.002 0.000 0.217 725 A C 2.537 180.167 177.584 0.078 0.000 1.181 725 A CA 1.833 53.940 52.037 0.117 0.000 0.623 725 A CB -0.811 18.182 19.000 -0.012 0.000 0.818 725 A HN 0.430 nan 8.150 nan 0.000 0.443 726 A N -0.912 121.932 122.820 0.039 0.000 1.877 726 A HA -0.025 4.296 4.320 0.002 0.000 0.216 726 A C 2.047 179.682 177.584 0.085 0.000 1.186 726 A CA 1.634 53.697 52.037 0.044 0.000 0.620 726 A CB -0.774 18.247 19.000 0.036 0.000 0.822 726 A HN 0.802 nan 8.150 nan 0.000 0.443 727 F N 1.647 121.611 119.950 0.024 0.000 2.126 727 F HA -0.165 4.363 4.527 0.003 0.000 0.299 727 F C 2.288 178.115 175.800 0.046 0.000 1.096 727 F CA 2.372 60.388 58.000 0.027 0.000 1.255 727 F CB -0.877 38.129 39.000 0.010 0.000 0.997 727 F HN 0.192 nan 8.300 nan 0.000 0.479 728 T N 1.430 115.814 114.554 -0.283 0.000 2.777 728 T HA -0.108 4.243 4.350 0.002 0.000 0.266 728 T C 2.166 176.734 174.700 -0.220 0.000 1.040 728 T CA 1.837 63.708 62.100 -0.382 0.000 1.141 728 T CB -0.422 68.460 68.868 0.023 0.000 0.868 728 T HN 0.306 nan 8.240 nan 0.000 0.444 729 I N 0.936 121.498 120.570 -0.013 0.000 2.315 729 I HA -0.160 4.012 4.170 0.002 0.000 0.248 729 I C 2.773 178.926 176.117 0.060 0.000 1.117 729 I CA 1.040 62.396 61.300 0.093 0.000 1.404 729 I CB -0.281 37.778 38.000 0.097 0.000 1.071 729 I HN 0.179 nan 8.210 nan 0.000 0.419 730 Q N 1.333 121.110 119.800 -0.038 0.000 2.124 730 Q HA -0.158 4.183 4.340 0.002 0.000 0.202 730 Q C 2.162 178.080 176.000 -0.136 0.000 0.977 730 Q CA 2.170 57.951 55.803 -0.036 0.000 0.850 730 Q CB -0.264 28.465 28.738 -0.016 0.000 0.901 730 Q HN 0.487 nan 8.270 nan 0.000 0.429 731 A N 0.252 122.856 122.820 -0.361 0.000 1.902 731 A HA -0.036 4.285 4.320 0.002 0.000 0.217 731 A C 2.302 179.725 177.584 -0.269 0.000 1.181 731 A CA 1.830 53.643 52.037 -0.374 0.000 0.623 731 A CB -1.211 17.361 19.000 -0.714 0.000 0.818 731 A HN 0.518 nan 8.150 nan 0.000 0.443 732 A N -0.036 122.609 122.820 -0.291 0.000 1.908 732 A HA 0.116 4.437 4.320 0.002 0.000 0.218 732 A C 2.515 180.009 177.584 -0.150 0.000 1.181 732 A CA 2.219 54.072 52.037 -0.307 0.000 0.627 732 A CB -1.076 17.599 19.000 -0.541 0.000 0.818 732 A HN 1.110 nan 8.150 nan 0.000 0.445 733 A N -0.484 122.327 122.820 -0.015 0.000 1.908 733 A HA 0.067 4.388 4.320 0.002 0.000 0.218 733 A C 2.413 179.902 177.584 -0.158 0.000 1.181 733 A CA 1.996 53.938 52.037 -0.159 0.000 0.627 733 A CB -1.428 17.555 19.000 -0.028 0.000 0.818 733 A HN 0.815 nan 8.150 nan 0.000 0.445 734 G N -0.612 108.120 108.800 -0.113 0.000 2.448 734 G HA2 -0.197 3.764 3.960 0.002 0.000 0.219 734 G HA3 -0.197 3.764 3.960 0.002 0.000 0.219 734 G C 1.650 176.488 174.900 -0.103 0.000 1.127 734 G CA 1.914 46.960 45.100 -0.090 0.000 0.766 734 G HN 0.756 nan 8.290 nan 0.000 0.552 735 T N -0.933 113.533 114.554 -0.147 0.000 3.035 735 T HA 0.141 4.492 4.350 0.002 0.000 0.268 735 T C 2.170 176.777 174.700 -0.155 0.000 1.109 735 T CA 0.546 62.559 62.100 -0.145 0.000 1.119 735 T CB -0.142 68.617 68.868 -0.182 0.000 0.900 735 T HN 0.222 nan 8.240 nan 0.000 0.503 736 L N -0.554 120.555 121.223 -0.190 0.000 2.529 736 L HA 0.297 4.638 4.340 0.002 0.000 0.223 736 L C 1.150 178.023 176.870 0.007 0.000 1.113 736 L CA 0.011 54.744 54.840 -0.179 0.000 0.861 736 L CB -0.156 41.715 42.059 -0.312 0.000 1.012 736 L HN 0.119 nan 8.230 nan 0.000 0.461 737 K N 0.712 121.099 120.400 -0.022 0.000 2.295 737 K HA -0.047 4.274 4.320 0.002 0.000 0.270 737 K C 0.962 177.579 176.600 0.029 0.000 1.011 737 K CA -0.019 56.273 56.287 0.008 0.000 0.953 737 K CB 1.096 33.588 32.500 -0.013 0.000 0.956 737 K HN -0.001 nan 8.250 nan 0.000 0.477 738 E N 1.099 121.315 120.200 0.028 0.000 2.112 738 E HA -0.071 4.281 4.350 0.002 0.000 0.190 738 E C -0.099 176.506 176.600 0.009 0.000 0.979 738 E CA 0.719 57.131 56.400 0.020 0.000 0.814 738 E CB 0.490 30.194 29.700 0.008 0.000 0.762 738 E HN 0.325 nan 8.360 nan 0.000 0.460 739 V N 0.000 119.917 119.914 0.006 0.000 2.409 739 V HA 0.000 4.121 4.120 0.002 0.000 0.244 739 V CA 0.000 62.302 62.300 0.003 0.000 1.235 739 V CB 0.000 31.824 31.823 0.002 0.000 1.184 739 V HN 0.000 nan 8.190 nan 0.000 0.556