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 1io9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYDWFSEMRK KDPVYYDGNI WQVFSYRYTK EVLNNFSKFS SDLTGYHERL DATA SEQUENCE EDLRNGKIRF DIPTRYTMLT SDPPLHDELR SMSADIFSPQ KLQTLETFIR DATA SEQUENCE ETTRSLLDSI DPREDDIVKK LAVPLPIIVI SKILGLPIED KEKFKEWSDL DATA SEQUENCE VAFRLGKPGE IFELGKKYLE LIGYVKDHLN SGTEVVSRVV NSNLSDIEKL DATA SEQUENCE GYIILLLIAG NETTTNLISN SVIDFTRFNL WQRIREENLY LKAIEEALRY DATA SEQUENCE SPPVMRTVRK TKERVKLGDQ TIEEGEYVRV WIASANRDEE VFHDGEKFIP DATA SEQUENCE DRNPNPHLSF GSGIHLCLGA PLARLEARIA IEEFSKRFRH IEILDTEKVP DATA SEQUENCE NEVLNGYKRL VVRLKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.775 176.300 -0.874 0.000 1.140 1 M CA 0.000 54.947 55.300 -0.589 0.000 0.988 1 M CB 0.000 32.163 32.600 -0.728 0.000 1.302 2 Y N 1.911 121.963 120.300 -0.413 0.000 2.421 2 Y HA -0.064 4.486 4.550 -0.001 0.000 0.292 2 Y C 2.178 178.039 175.900 -0.064 0.000 1.136 2 Y CA 1.751 59.761 58.100 -0.151 0.000 1.255 2 Y CB -0.111 38.344 38.460 -0.009 0.000 0.991 2 Y HN 0.428 nan 8.280 nan 0.000 0.552 3 D N -1.059 119.368 120.400 0.044 0.000 2.123 3 D HA -0.195 4.445 4.640 -0.001 0.000 0.200 3 D C 1.730 178.043 176.300 0.022 0.000 0.976 3 D CA 1.133 55.159 54.000 0.042 0.000 0.831 3 D CB -0.428 40.388 40.800 0.026 0.000 0.974 3 D HN 0.471 nan 8.370 nan 0.000 0.469 4 W N 1.571 122.727 121.300 -0.241 0.000 2.358 4 W HA -0.197 4.463 4.660 -0.001 0.000 0.303 4 W C 1.832 178.213 176.519 -0.229 0.000 1.208 4 W CA 0.935 58.113 57.345 -0.278 0.000 1.274 4 W CB -0.623 28.609 29.460 -0.381 0.000 1.138 4 W HN -0.186 nan 8.180 nan 0.000 0.515 5 F N 1.618 121.312 119.950 -0.427 0.000 2.065 5 F HA -0.285 4.242 4.527 -0.001 0.000 0.298 5 F C 3.042 178.571 175.800 -0.452 0.000 1.112 5 F CA 2.101 59.745 58.000 -0.594 0.000 1.212 5 F CB -1.731 37.115 39.000 -0.257 0.000 0.975 5 F HN 0.055 nan 8.300 nan 0.000 0.476 6 S N -0.482 115.215 115.700 -0.006 0.000 2.400 6 S HA -0.173 4.296 4.470 -0.001 0.000 0.232 6 S C 1.781 176.301 174.600 -0.134 0.000 1.025 6 S CA 1.326 59.502 58.200 -0.040 0.000 0.993 6 S CB -0.439 62.771 63.200 0.017 0.000 0.808 6 S HN 0.395 nan 8.310 nan 0.000 0.478 7 E N 0.742 120.821 120.200 -0.202 0.000 2.107 7 E HA 0.052 4.402 4.350 -0.001 0.000 0.191 7 E C 2.046 178.436 176.600 -0.349 0.000 0.982 7 E CA 0.793 57.066 56.400 -0.212 0.000 0.809 7 E CB -0.281 29.327 29.700 -0.154 0.000 0.756 7 E HN 0.487 nan 8.360 nan 0.000 0.459 8 M N 0.189 119.394 119.600 -0.659 0.000 2.200 8 M HA -0.044 4.436 4.480 -0.001 0.000 0.265 8 M C 2.091 178.080 176.300 -0.517 0.000 1.066 8 M CA 1.119 55.868 55.300 -0.918 0.000 1.127 8 M CB -0.805 30.506 32.600 -2.147 0.000 1.379 8 M HN 0.003 nan 8.290 nan 0.000 0.420 9 R N -0.052 120.240 120.500 -0.346 0.000 2.120 9 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 9 R C 2.098 178.373 176.300 -0.042 0.000 1.123 9 R CA 1.058 57.107 56.100 -0.085 0.000 0.975 9 R CB -0.048 30.235 30.300 -0.030 0.000 0.866 9 R HN 0.396 nan 8.270 nan 0.000 0.446 10 K N -0.412 119.938 120.400 -0.084 0.000 2.262 10 K HA 0.002 4.321 4.320 -0.001 0.000 0.200 10 K C 1.572 178.153 176.600 -0.031 0.000 1.049 10 K CA 0.593 56.855 56.287 -0.041 0.000 0.979 10 K CB 0.379 32.852 32.500 -0.044 0.000 0.773 10 K HN -0.083 nan 8.250 nan 0.000 0.474 11 K N 0.211 120.567 120.400 -0.074 0.000 2.240 11 K HA 0.106 4.425 4.320 -0.001 0.000 0.202 11 K C 0.054 176.655 176.600 0.002 0.000 1.053 11 K CA 0.880 57.141 56.287 -0.044 0.000 0.973 11 K CB 0.543 32.992 32.500 -0.086 0.000 0.924 11 K HN -0.005 nan 8.250 nan 0.000 0.477 12 D N 1.478 121.855 120.400 -0.038 0.000 2.468 12 D HA 0.132 4.772 4.640 -0.001 0.000 0.272 12 D C -2.087 174.342 176.300 0.214 0.000 1.221 12 D CA -1.182 52.883 54.000 0.109 0.000 0.860 12 D CB 2.028 42.903 40.800 0.125 0.000 1.190 12 D HN -0.094 nan 8.370 nan 0.000 0.509 13 P HA -0.097 nan 4.420 nan 0.000 0.219 13 P C 0.694 178.321 177.300 0.546 0.000 1.146 13 P CA 0.662 64.019 63.100 0.427 0.000 0.808 13 P CB 0.725 32.687 31.700 0.438 0.000 0.779 14 V N 0.645 120.819 119.914 0.433 0.000 2.349 14 V HA 0.306 4.426 4.120 -0.001 0.000 0.284 14 V C -0.838 175.624 176.094 0.613 0.000 1.014 14 V CA -0.780 61.761 62.300 0.401 0.000 0.826 14 V CB 0.929 32.812 31.823 0.101 0.000 1.009 14 V HN -0.005 nan 8.190 nan 0.000 0.431 15 Y N 5.318 125.945 120.300 0.546 0.000 2.462 15 Y HA 0.698 5.247 4.550 -0.001 0.000 0.346 15 Y C -1.577 174.511 175.900 0.313 0.000 0.976 15 Y CA -1.491 56.879 58.100 0.449 0.000 1.044 15 Y CB 1.939 40.697 38.460 0.496 0.000 1.230 15 Y HN 0.585 nan 8.280 nan 0.000 0.455 16 Y N 5.805 125.591 120.300 -0.858 0.000 2.341 16 Y HA 0.303 4.852 4.550 -0.001 0.000 0.338 16 Y C 0.008 175.215 175.900 -1.154 0.000 0.965 16 Y CA -1.374 56.007 58.100 -1.198 0.000 1.108 16 Y CB 1.161 38.572 38.460 -1.748 0.000 1.180 16 Y HN 0.738 nan 8.280 nan 0.000 0.458 17 D N 2.721 122.442 120.400 -1.133 0.000 2.463 17 D HA 0.301 4.941 4.640 -0.001 0.000 0.224 17 D C 1.173 177.078 176.300 -0.658 0.000 1.174 17 D CA 0.594 54.160 54.000 -0.724 0.000 0.829 17 D CB 0.196 40.856 40.800 -0.233 0.000 0.993 17 D HN 0.862 nan 8.370 nan 0.000 0.497 18 G N 1.913 110.040 108.800 -1.123 0.000 2.953 18 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.201 18 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.201 18 G C 1.010 175.495 174.900 -0.693 0.000 1.501 18 G CA 0.285 44.964 45.100 -0.701 0.000 1.094 18 G HN 0.436 nan 8.290 nan 0.000 0.555 19 N N 1.456 119.834 118.700 -0.537 0.000 2.499 19 N HA 0.274 5.014 4.740 -0.001 0.000 0.182 19 N C 1.215 176.659 175.510 -0.110 0.000 1.034 19 N CA 1.265 54.190 53.050 -0.208 0.000 0.882 19 N CB -0.026 38.416 38.487 -0.076 0.000 1.125 19 N HN 1.088 nan 8.380 nan 0.000 0.436 20 I N -4.780 115.647 120.570 -0.238 0.000 2.957 20 I HA 0.649 4.818 4.170 -0.001 0.000 0.310 20 I C -1.191 174.949 176.117 0.038 0.000 1.063 20 I CA -1.263 60.079 61.300 0.069 0.000 1.033 20 I CB 1.713 39.783 38.000 0.117 0.000 1.230 20 I HN -0.199 nan 8.210 nan 0.000 0.447 21 W N 1.874 123.362 121.300 0.313 0.000 2.448 21 W HA 0.594 5.254 4.660 -0.001 0.000 0.339 21 W C -0.561 176.050 176.519 0.154 0.000 1.124 21 W CA -0.065 57.463 57.345 0.306 0.000 1.262 21 W CB 1.420 31.027 29.460 0.244 0.000 1.251 21 W HN 0.409 nan 8.180 nan 0.000 0.597 22 Q N 1.585 121.639 119.800 0.424 0.000 2.285 22 Q HA 0.487 4.827 4.340 -0.001 0.000 0.269 22 Q C -1.345 174.669 176.000 0.024 0.000 1.030 22 Q CA -0.906 54.991 55.803 0.157 0.000 0.788 22 Q CB 2.639 31.507 28.738 0.216 0.000 1.266 22 Q HN 0.183 nan 8.270 nan 0.000 0.438 23 V N 2.934 122.762 119.914 -0.143 0.000 2.417 23 V HA 0.373 4.492 4.120 -0.001 0.000 0.291 23 V C -0.380 175.595 176.094 -0.199 0.000 1.024 23 V CA -0.250 62.021 62.300 -0.049 0.000 0.861 23 V CB 0.800 32.622 31.823 -0.002 0.000 0.985 23 V HN 0.787 nan 8.190 nan 0.000 0.436 24 F N 0.883 120.923 119.950 0.150 0.000 2.727 24 F HA 0.163 4.689 4.527 -0.001 0.000 0.302 24 F C 1.465 177.263 175.800 -0.004 0.000 1.107 24 F CA -0.078 57.923 58.000 0.002 0.000 1.277 24 F CB 0.349 39.264 39.000 -0.142 0.000 1.079 24 F HN 0.525 nan 8.300 nan 0.000 0.594 25 S N -1.021 114.821 115.700 0.237 0.000 2.616 25 S HA 0.166 4.636 4.470 -0.001 0.000 0.277 25 S C 0.691 175.353 174.600 0.103 0.000 1.234 25 S CA -0.590 57.694 58.200 0.140 0.000 1.028 25 S CB 0.956 64.189 63.200 0.056 0.000 0.988 25 S HN 0.276 nan 8.310 nan 0.000 0.522 26 Y N 2.293 122.598 120.300 0.008 0.000 2.053 26 Y HA -0.238 4.312 4.550 -0.001 0.000 0.277 26 Y C 2.764 178.631 175.900 -0.056 0.000 1.159 26 Y CA 2.359 60.470 58.100 0.018 0.000 1.125 26 Y CB -0.394 38.093 38.460 0.046 0.000 0.969 26 Y HN 0.818 nan 8.280 nan 0.000 0.492 27 R N -0.540 119.996 120.500 0.059 0.000 2.143 27 R HA -0.282 4.058 4.340 -0.001 0.000 0.239 27 R C 2.173 178.372 176.300 -0.168 0.000 1.126 27 R CA 2.729 58.746 56.100 -0.138 0.000 0.927 27 R CB -1.157 28.890 30.300 -0.421 0.000 0.860 27 R HN 0.610 nan 8.270 nan 0.000 0.433 28 Y N -0.881 119.420 120.300 0.002 0.000 2.314 28 Y HA -0.121 4.428 4.550 -0.001 0.000 0.293 28 Y C 2.624 178.441 175.900 -0.139 0.000 1.129 28 Y CA 1.000 59.067 58.100 -0.055 0.000 1.201 28 Y CB -0.277 38.172 38.460 -0.018 0.000 0.999 28 Y HN 0.388 nan 8.280 nan 0.000 0.541 29 T N -1.309 113.236 114.554 -0.016 0.000 2.904 29 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 29 T C 1.805 176.399 174.700 -0.178 0.000 1.059 29 T CA 1.101 63.130 62.100 -0.119 0.000 1.137 29 T CB -0.174 68.623 68.868 -0.117 0.000 0.879 29 T HN 0.213 nan 8.240 nan 0.000 0.467 30 K N 0.750 121.015 120.400 -0.225 0.000 2.097 30 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 30 K C 2.418 178.949 176.600 -0.116 0.000 1.050 30 K CA 1.619 57.772 56.287 -0.224 0.000 0.938 30 K CB -0.133 32.181 32.500 -0.311 0.000 0.718 30 K HN 0.605 nan 8.250 nan 0.000 0.442 31 E N 0.160 120.311 120.200 -0.083 0.000 2.031 31 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 31 E C 1.812 178.341 176.600 -0.117 0.000 0.994 31 E CA 1.484 57.861 56.400 -0.039 0.000 0.800 31 E CB -0.048 29.675 29.700 0.038 0.000 0.752 31 E HN 0.029 nan 8.360 nan 0.000 0.447 32 V N 1.195 120.917 119.914 -0.320 0.000 2.287 32 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 32 V C 2.505 178.442 176.094 -0.262 0.000 1.053 32 V CA 1.870 63.762 62.300 -0.679 0.000 1.027 32 V CB -0.516 30.816 31.823 -0.818 0.000 0.646 32 V HN 0.393 nan 8.190 nan 0.000 0.447 33 L N -0.304 120.828 121.223 -0.151 0.000 2.191 33 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 33 L C 2.098 179.003 176.870 0.058 0.000 1.103 33 L CA 1.737 56.555 54.840 -0.036 0.000 0.769 33 L CB -0.565 41.466 42.059 -0.047 0.000 0.908 33 L HN 0.450 nan 8.230 nan 0.000 0.438 34 N N -1.031 117.698 118.700 0.049 0.000 2.387 34 N HA -0.060 4.679 4.740 -0.001 0.000 0.176 34 N C 0.777 176.380 175.510 0.154 0.000 1.022 34 N CA 0.076 53.191 53.050 0.109 0.000 0.883 34 N CB 0.185 38.707 38.487 0.059 0.000 1.019 34 N HN 0.054 nan 8.380 nan 0.000 0.435 35 N N 1.181 119.948 118.700 0.112 0.000 2.508 35 N HA -0.009 4.730 4.740 -0.001 0.000 0.253 35 N C 0.000 175.590 175.510 0.134 0.000 1.145 35 N CA -0.135 52.951 53.050 0.060 0.000 0.973 35 N CB -0.002 38.578 38.487 0.155 0.000 1.305 35 N HN 0.211 nan 8.380 nan 0.000 0.506 36 F N 1.446 121.457 119.950 0.102 0.000 2.416 36 F HA 0.076 4.602 4.527 -0.001 0.000 0.296 36 F C 2.264 178.082 175.800 0.030 0.000 1.099 36 F CA 0.236 58.287 58.000 0.085 0.000 1.427 36 F CB -0.713 38.325 39.000 0.064 0.000 1.079 36 F HN 0.341 nan 8.300 nan 0.000 0.536 37 S N 0.340 115.822 115.700 -0.363 0.000 2.400 37 S HA -0.158 4.312 4.470 -0.001 0.000 0.232 37 S C 1.885 176.386 174.600 -0.164 0.000 1.025 37 S CA 1.067 59.138 58.200 -0.214 0.000 0.993 37 S CB -0.300 62.699 63.200 -0.335 0.000 0.808 37 S HN 0.350 nan 8.310 nan 0.000 0.478 38 K N 0.083 120.355 120.400 -0.214 0.000 2.287 38 K HA 0.331 4.651 4.320 -0.001 0.000 0.199 38 K C -0.329 175.951 176.600 -0.534 0.000 1.061 38 K CA 0.295 56.337 56.287 -0.409 0.000 0.976 38 K CB -0.189 31.971 32.500 -0.567 0.000 0.898 38 K HN 0.485 nan 8.250 nan 0.000 0.492 39 F N 1.411 121.336 119.950 -0.042 0.000 2.308 39 F HA 0.286 4.813 4.527 -0.001 0.000 0.370 39 F C 0.667 176.485 175.800 0.030 0.000 1.100 39 F CA -0.745 57.245 58.000 -0.017 0.000 1.108 39 F CB 1.438 40.427 39.000 -0.019 0.000 1.293 39 F HN -0.246 nan 8.300 nan 0.000 0.478 40 S N 1.253 117.035 115.700 0.137 0.000 2.632 40 S HA 0.377 4.847 4.470 -0.001 0.000 0.271 40 S C 0.769 175.427 174.600 0.098 0.000 1.260 40 S CA -0.472 57.792 58.200 0.108 0.000 1.010 40 S CB 1.194 64.415 63.200 0.035 0.000 0.965 40 S HN 0.527 nan 8.310 nan 0.000 0.534 41 S N 1.486 117.230 115.700 0.073 0.000 2.593 41 S HA 0.170 4.639 4.470 -0.001 0.000 0.236 41 S C -0.210 174.446 174.600 0.094 0.000 0.991 41 S CA -0.384 57.825 58.200 0.014 0.000 0.963 41 S CB 0.028 63.117 63.200 -0.184 0.000 0.865 41 S HN 0.760 nan 8.310 nan 0.000 0.488 42 D N 2.200 122.677 120.400 0.130 0.000 2.713 42 D HA 0.162 4.801 4.640 -0.001 0.000 0.229 42 D C 0.773 177.162 176.300 0.148 0.000 1.136 42 D CA -0.074 54.039 54.000 0.188 0.000 1.010 42 D CB -0.338 40.557 40.800 0.159 0.000 1.084 42 D HN 0.310 nan 8.370 nan 0.000 0.495 43 L N 0.473 121.779 121.223 0.139 0.000 2.567 43 L HA 0.106 4.445 4.340 -0.001 0.000 0.225 43 L C 1.746 178.681 176.870 0.109 0.000 1.119 43 L CA 0.452 55.381 54.840 0.149 0.000 0.871 43 L CB 0.014 42.177 42.059 0.173 0.000 1.036 43 L HN 0.199 nan 8.230 nan 0.000 0.459 44 T N -3.841 110.765 114.554 0.086 0.000 3.174 44 T HA 0.321 4.671 4.350 -0.001 0.000 0.269 44 T C 1.291 176.048 174.700 0.095 0.000 1.017 44 T CA 0.247 62.358 62.100 0.018 0.000 0.899 44 T CB 0.580 69.370 68.868 -0.130 0.000 1.077 44 T HN 0.324 nan 8.240 nan 0.000 0.552 45 G N 1.298 110.201 108.800 0.171 0.000 2.249 45 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.273 45 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.273 45 G C 0.338 175.460 174.900 0.369 0.000 1.036 45 G CA 0.420 45.652 45.100 0.220 0.000 0.824 45 G HN 0.511 nan 8.290 nan 0.000 0.504 46 Y N 0.562 121.020 120.300 0.262 0.000 2.163 46 Y HA -0.074 4.476 4.550 -0.001 0.000 0.288 46 Y C 2.464 178.429 175.900 0.108 0.000 1.136 46 Y CA 1.994 60.280 58.100 0.311 0.000 1.147 46 Y CB -0.504 38.112 38.460 0.259 0.000 0.987 46 Y HN 0.583 nan 8.280 nan 0.000 0.509 47 H N -0.111 119.021 119.070 0.105 0.000 2.421 47 H HA -0.105 4.450 4.556 -0.001 0.000 0.298 47 H C 2.000 177.335 175.328 0.013 0.000 1.087 47 H CA 1.506 57.529 56.048 -0.043 0.000 1.330 47 H CB 0.090 29.828 29.762 -0.041 0.000 1.388 47 H HN 0.482 nan 8.280 nan 0.000 0.526 48 E N 0.710 121.018 120.200 0.181 0.000 2.347 48 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 48 E C 1.302 177.947 176.600 0.074 0.000 1.008 48 E CA 0.389 56.855 56.400 0.109 0.000 0.852 48 E CB 0.248 30.010 29.700 0.102 0.000 0.783 48 E HN 0.457 nan 8.360 nan 0.000 0.505 49 R N -0.260 120.288 120.500 0.081 0.000 2.472 49 R HA 0.094 4.434 4.340 -0.001 0.000 0.279 49 R C 1.745 178.023 176.300 -0.037 0.000 0.953 49 R CA -0.237 55.867 56.100 0.007 0.000 1.088 49 R CB 0.241 30.523 30.300 -0.030 0.000 1.197 49 R HN 0.004 nan 8.270 nan 0.000 0.536 50 L N 2.333 123.551 121.223 -0.008 0.000 2.079 50 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 50 L C 2.339 179.186 176.870 -0.038 0.000 1.081 50 L CA 1.968 56.787 54.840 -0.036 0.000 0.752 50 L CB -0.342 41.654 42.059 -0.106 0.000 0.896 50 L HN 0.247 nan 8.230 nan 0.000 0.433 51 E N -1.008 119.175 120.200 -0.027 0.000 2.015 51 E HA -0.241 4.109 4.350 -0.001 0.000 0.191 51 E C 1.638 178.220 176.600 -0.030 0.000 0.991 51 E CA 1.449 57.835 56.400 -0.023 0.000 0.802 51 E CB -0.230 29.463 29.700 -0.012 0.000 0.759 51 E HN 0.444 nan 8.360 nan 0.000 0.447 52 D N 0.617 120.998 120.400 -0.032 0.000 2.265 52 D HA -0.135 4.504 4.640 -0.001 0.000 0.208 52 D C 2.021 178.285 176.300 -0.060 0.000 0.977 52 D CA 0.650 54.627 54.000 -0.038 0.000 0.871 52 D CB -0.043 40.736 40.800 -0.034 0.000 0.925 52 D HN 0.273 nan 8.370 nan 0.000 0.485 53 L N 0.152 121.324 121.223 -0.085 0.000 2.049 53 L HA -0.021 4.318 4.340 -0.001 0.000 0.203 53 L C 2.206 179.037 176.870 -0.065 0.000 1.074 53 L CA 0.779 55.550 54.840 -0.116 0.000 0.749 53 L CB -0.039 41.916 42.059 -0.173 0.000 0.907 53 L HN -0.100 nan 8.230 nan 0.000 0.439 54 R N -0.085 120.389 120.500 -0.043 0.000 2.323 54 R HA -0.014 4.325 4.340 -0.001 0.000 0.198 54 R C 0.925 177.212 176.300 -0.022 0.000 0.988 54 R CA 0.380 56.464 56.100 -0.026 0.000 1.041 54 R CB -0.367 29.922 30.300 -0.019 0.000 0.926 54 R HN 0.351 nan 8.270 nan 0.000 0.476 55 N N -0.526 118.159 118.700 -0.025 0.000 2.282 55 N HA 0.040 4.780 4.740 -0.001 0.000 0.185 55 N C 1.058 176.558 175.510 -0.016 0.000 1.099 55 N CA 0.909 53.949 53.050 -0.018 0.000 0.878 55 N CB 1.079 39.556 38.487 -0.016 0.000 0.993 55 N HN 0.369 nan 8.380 nan 0.000 0.481 56 G N 0.779 109.566 108.800 -0.021 0.000 2.217 56 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.246 56 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.246 56 G C 1.193 176.085 174.900 -0.014 0.000 0.990 56 G CA 0.485 45.575 45.100 -0.016 0.000 0.627 56 G HN 0.253 nan 8.290 nan 0.000 0.522 57 K N -0.022 120.368 120.400 -0.017 0.000 2.160 57 K HA -0.028 4.291 4.320 -0.001 0.000 0.206 57 K C 1.182 177.775 176.600 -0.012 0.000 1.047 57 K CA 1.065 57.345 56.287 -0.012 0.000 0.930 57 K CB 0.039 32.531 32.500 -0.014 0.000 0.720 57 K HN 0.565 nan 8.250 nan 0.000 0.450 58 I N 1.864 122.417 120.570 -0.028 0.000 2.330 58 I HA 0.099 4.268 4.170 -0.001 0.000 0.289 58 I C 0.846 176.954 176.117 -0.015 0.000 1.001 58 I CA -0.537 60.744 61.300 -0.031 0.000 1.193 58 I CB 1.542 39.492 38.000 -0.084 0.000 1.345 58 I HN -0.053 nan 8.210 nan 0.000 0.461 59 R N 5.165 125.682 120.500 0.028 0.000 2.064 59 R HA 0.213 4.552 4.340 -0.001 0.000 0.221 59 R C 0.017 176.393 176.300 0.127 0.000 1.136 59 R CA 0.668 56.807 56.100 0.066 0.000 0.980 59 R CB -0.127 30.223 30.300 0.082 0.000 0.876 59 R HN 0.489 nan 8.270 nan 0.000 0.437 60 F N 0.526 120.474 119.950 -0.004 0.000 2.577 60 F HA 0.651 5.177 4.527 -0.001 0.000 0.318 60 F C -1.613 174.194 175.800 0.012 0.000 1.065 60 F CA -1.229 56.771 58.000 0.001 0.000 0.929 60 F CB 2.328 41.325 39.000 -0.005 0.000 1.237 60 F HN -0.042 nan 8.300 nan 0.000 0.468 61 D N 2.889 122.448 120.400 -1.402 0.000 2.798 61 D HA 0.225 4.865 4.640 -0.001 0.000 0.265 61 D C -1.547 174.177 176.300 -0.960 0.000 1.223 61 D CA -0.415 52.919 54.000 -1.108 0.000 0.743 61 D CB 1.629 42.255 40.800 -0.290 0.000 1.276 61 D HN 0.395 nan 8.370 nan 0.000 0.421 62 I N 3.350 123.531 120.570 -0.649 0.000 2.671 62 I HA 0.146 4.315 4.170 -0.001 0.000 0.285 62 I C -1.236 174.691 176.117 -0.315 0.000 1.148 62 I CA -1.380 59.639 61.300 -0.468 0.000 1.386 62 I CB 0.463 38.175 38.000 -0.480 0.000 1.406 62 I HN 0.261 nan 8.210 nan 0.000 0.540 63 P HA -0.140 nan 4.420 nan 0.000 0.219 63 P C 1.342 178.553 177.300 -0.147 0.000 1.146 63 P CA 1.186 64.242 63.100 -0.074 0.000 0.808 63 P CB -0.207 31.493 31.700 -0.001 0.000 0.779 64 T N -3.557 110.908 114.554 -0.149 0.000 3.098 64 T HA -0.027 4.323 4.350 -0.001 0.000 0.266 64 T C 1.674 176.178 174.700 -0.328 0.000 1.145 64 T CA 0.568 62.571 62.100 -0.162 0.000 1.092 64 T CB -0.608 68.240 68.868 -0.033 0.000 0.908 64 T HN 0.131 nan 8.240 nan 0.000 0.526 65 R N -0.171 119.969 120.500 -0.599 0.000 2.299 65 R HA 0.154 4.493 4.340 -0.001 0.000 0.197 65 R C -0.337 175.270 176.300 -1.154 0.000 0.971 65 R CA 0.433 55.995 56.100 -0.896 0.000 1.030 65 R CB 0.122 29.663 30.300 -1.265 0.000 0.932 65 R HN 0.557 nan 8.270 nan 0.000 0.477 66 Y N 0.331 120.352 120.300 -0.464 0.000 2.748 66 Y HA 0.219 4.769 4.550 -0.001 0.000 0.359 66 Y C 0.057 175.529 175.900 -0.712 0.000 1.030 66 Y CA -0.899 56.578 58.100 -1.038 0.000 1.169 66 Y CB 1.151 38.959 38.460 -1.087 0.000 1.127 66 Y HN -0.117 nan 8.280 nan 0.000 0.644 67 T N -2.804 111.599 114.554 -0.252 0.000 2.865 67 T HA 0.285 4.634 4.350 -0.001 0.000 0.294 67 T C 1.015 175.793 174.700 0.130 0.000 1.119 67 T CA -1.101 60.956 62.100 -0.071 0.000 1.007 67 T CB 1.252 70.040 68.868 -0.133 0.000 1.225 67 T HN 0.547 nan 8.240 nan 0.000 0.515 68 M N 0.553 120.166 119.600 0.020 0.000 2.346 68 M HA 0.044 4.524 4.480 -0.001 0.000 0.263 68 M C 1.666 178.169 176.300 0.339 0.000 1.064 68 M CA 1.335 56.715 55.300 0.133 0.000 1.083 68 M CB -0.684 31.861 32.600 -0.092 0.000 1.399 68 M HN 0.509 nan 8.290 nan 0.000 0.435 69 L N 1.370 122.699 121.223 0.176 0.000 2.093 69 L HA -0.070 4.270 4.340 -0.001 0.000 0.208 69 L C 1.247 178.174 176.870 0.094 0.000 1.085 69 L CA 1.897 56.820 54.840 0.139 0.000 0.755 69 L CB -0.375 41.673 42.059 -0.018 0.000 0.904 69 L HN 0.545 nan 8.230 nan 0.000 0.435 70 T N -2.700 111.936 114.554 0.138 0.000 3.240 70 T HA 0.244 4.594 4.350 -0.001 0.000 0.248 70 T C 0.170 175.056 174.700 0.309 0.000 0.929 70 T CA -0.198 61.995 62.100 0.156 0.000 0.939 70 T CB -0.229 68.700 68.868 0.101 0.000 1.114 70 T HN 0.341 nan 8.240 nan 0.000 0.558 71 S N -0.353 115.555 115.700 0.346 0.000 2.618 71 S HA 0.759 5.229 4.470 -0.001 0.000 0.277 71 S C -1.880 172.980 174.600 0.434 0.000 1.138 71 S CA -0.980 57.445 58.200 0.375 0.000 0.844 71 S CB 2.149 65.421 63.200 0.121 0.000 1.127 71 S HN 0.123 nan 8.310 nan 0.000 0.474 72 D N 1.393 122.133 120.400 0.567 0.000 2.340 72 D HA 0.642 5.282 4.640 -0.001 0.000 0.243 72 D C -2.616 173.792 176.300 0.181 0.000 0.988 72 D CA -1.477 52.658 54.000 0.225 0.000 0.959 72 D CB 1.231 42.057 40.800 0.044 0.000 1.226 72 D HN 0.324 nan 8.370 nan 0.000 0.509 73 P HA 0.118 nan 4.420 nan 0.000 0.272 73 P C -1.845 175.495 177.300 0.066 0.000 1.240 73 P CA -0.868 62.211 63.100 -0.035 0.000 0.791 73 P CB 0.267 31.819 31.700 -0.247 0.000 0.978 74 P HA 0.006 nan 4.420 nan 0.000 0.227 74 P C 1.817 179.123 177.300 0.011 0.000 1.161 74 P CA 0.628 63.744 63.100 0.026 0.000 0.788 74 P CB 0.124 31.840 31.700 0.025 0.000 0.822 75 L N -0.002 121.235 121.223 0.024 0.000 2.013 75 L HA -0.233 4.106 4.340 -0.001 0.000 0.212 75 L C 2.819 179.647 176.870 -0.070 0.000 1.073 75 L CA 2.041 56.828 54.840 -0.090 0.000 0.753 75 L CB -1.036 40.828 42.059 -0.325 0.000 0.890 75 L HN 0.138 nan 8.230 nan 0.000 0.432 76 H N 0.126 119.150 119.070 -0.076 0.000 2.319 76 H HA -0.226 4.330 4.556 -0.001 0.000 0.297 76 H C 1.629 176.899 175.328 -0.096 0.000 1.097 76 H CA 2.254 58.253 56.048 -0.081 0.000 1.285 76 H CB 0.007 29.684 29.762 -0.141 0.000 1.368 76 H HN 0.449 nan 8.280 nan 0.000 0.495 77 D N 0.382 120.694 120.400 -0.147 0.000 2.219 77 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 77 D C 2.154 178.376 176.300 -0.131 0.000 0.970 77 D CA 0.673 54.578 54.000 -0.159 0.000 0.851 77 D CB -0.216 40.554 40.800 -0.049 0.000 0.943 77 D HN 0.592 nan 8.370 nan 0.000 0.488 78 E N 0.318 120.464 120.200 -0.090 0.000 2.028 78 E HA -0.081 4.268 4.350 -0.001 0.000 0.191 78 E C 2.346 178.928 176.600 -0.031 0.000 0.988 78 E CA 0.502 56.873 56.400 -0.048 0.000 0.799 78 E CB -0.024 29.656 29.700 -0.034 0.000 0.755 78 E HN 0.195 nan 8.360 nan 0.000 0.447 79 L N 0.299 121.497 121.223 -0.041 0.000 2.017 79 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 79 L C 2.706 179.615 176.870 0.065 0.000 1.073 79 L CA 1.264 56.142 54.840 0.064 0.000 0.745 79 L CB -0.351 41.717 42.059 0.016 0.000 0.894 79 L HN 0.044 nan 8.230 nan 0.000 0.432 80 R N 0.345 120.749 120.500 -0.161 0.000 2.096 80 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 80 R C 2.509 178.808 176.300 -0.002 0.000 1.127 80 R CA 1.584 57.610 56.100 -0.124 0.000 0.968 80 R CB -0.145 29.957 30.300 -0.331 0.000 0.861 80 R HN 0.477 nan 8.270 nan 0.000 0.440 81 S N 0.029 115.714 115.700 -0.026 0.000 2.442 81 S HA -0.151 4.319 4.470 -0.001 0.000 0.236 81 S C 1.907 176.513 174.600 0.009 0.000 1.007 81 S CA 1.163 59.360 58.200 -0.006 0.000 0.965 81 S CB -0.233 62.956 63.200 -0.020 0.000 0.773 81 S HN 0.340 nan 8.310 nan 0.000 0.504 82 M N 1.996 121.616 119.600 0.034 0.000 2.279 82 M HA -0.022 4.458 4.480 -0.001 0.000 0.264 82 M C 1.830 178.114 176.300 -0.027 0.000 1.062 82 M CA 1.525 56.818 55.300 -0.013 0.000 1.099 82 M CB -0.476 32.090 32.600 -0.056 0.000 1.394 82 M HN 0.633 nan 8.290 nan 0.000 0.426 83 S N -1.575 114.157 115.700 0.054 0.000 2.787 83 S HA 0.381 4.850 4.470 -0.001 0.000 0.255 83 S C 1.374 175.990 174.600 0.026 0.000 1.051 83 S CA 0.012 58.223 58.200 0.018 0.000 1.124 83 S CB 0.070 63.340 63.200 0.116 0.000 1.104 83 S HN 0.289 nan 8.310 nan 0.000 0.623 84 A N 1.398 124.251 122.820 0.055 0.000 2.292 84 A HA 0.024 4.343 4.320 -0.001 0.000 0.209 84 A C 1.325 178.932 177.584 0.038 0.000 1.209 84 A CA 1.259 53.337 52.037 0.068 0.000 0.746 84 A CB -0.394 18.631 19.000 0.043 0.000 0.764 84 A HN 0.478 nan 8.150 nan 0.000 0.492 85 D N -1.280 119.107 120.400 -0.021 0.000 2.498 85 D HA 0.075 4.714 4.640 -0.001 0.000 0.223 85 D C 1.802 178.040 176.300 -0.103 0.000 1.125 85 D CA 0.436 54.413 54.000 -0.038 0.000 0.835 85 D CB 0.039 40.815 40.800 -0.040 0.000 1.086 85 D HN 0.640 nan 8.370 nan 0.000 0.510 86 I N -2.142 118.285 120.570 -0.237 0.000 2.493 86 I HA -0.040 4.129 4.170 -0.001 0.000 0.254 86 I C 0.226 176.061 176.117 -0.470 0.000 1.160 86 I CA 1.060 62.101 61.300 -0.432 0.000 1.445 86 I CB -0.423 37.163 38.000 -0.690 0.000 1.086 86 I HN -0.252 nan 8.210 nan 0.000 0.433 87 F N 3.057 123.013 119.950 0.009 0.000 2.434 87 F HA 0.392 4.919 4.527 -0.001 0.000 0.316 87 F C 0.767 176.567 175.800 0.000 0.000 1.222 87 F CA -0.843 57.161 58.000 0.006 0.000 1.207 87 F CB 0.356 39.359 39.000 0.006 0.000 1.466 87 F HN 0.081 nan 8.300 nan 0.000 0.545 88 S N 0.304 116.064 115.700 0.101 0.000 2.759 88 S HA 0.598 5.067 4.470 -0.001 0.000 0.310 88 S C -1.845 172.789 174.600 0.057 0.000 1.123 88 S CA -1.554 56.684 58.200 0.065 0.000 0.959 88 S CB 2.151 65.367 63.200 0.026 0.000 1.172 88 S HN 0.029 nan 8.310 nan 0.000 0.539 89 P HA -0.249 nan 4.420 nan 0.000 0.202 89 P C 1.625 178.947 177.300 0.037 0.000 1.149 89 P CA 1.892 65.015 63.100 0.039 0.000 0.931 89 P CB -0.433 31.285 31.700 0.030 0.000 0.762 90 Q N -0.644 119.172 119.800 0.027 0.000 2.152 90 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 90 Q C 2.154 178.167 176.000 0.021 0.000 0.985 90 Q CA 1.194 57.011 55.803 0.022 0.000 0.863 90 Q CB -0.611 28.136 28.738 0.014 0.000 0.904 90 Q HN 0.096 nan 8.270 nan 0.000 0.422 91 K N 1.298 121.708 120.400 0.016 0.000 1.977 91 K HA -0.076 4.243 4.320 -0.001 0.000 0.218 91 K C 2.214 178.828 176.600 0.024 0.000 1.051 91 K CA 1.375 57.665 56.287 0.005 0.000 0.953 91 K CB -0.606 31.886 32.500 -0.014 0.000 0.727 91 K HN 0.319 nan 8.250 nan 0.000 0.445 92 L N 1.340 122.594 121.223 0.053 0.000 2.131 92 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 92 L C 2.770 179.684 176.870 0.073 0.000 1.092 92 L CA 1.294 56.182 54.840 0.081 0.000 0.759 92 L CB -0.631 41.498 42.059 0.117 0.000 0.903 92 L HN 0.449 nan 8.230 nan 0.000 0.435 93 Q N 0.239 120.076 119.800 0.060 0.000 2.308 93 Q HA -0.210 4.129 4.340 -0.001 0.000 0.209 93 Q C 1.488 177.523 176.000 0.057 0.000 0.985 93 Q CA 2.107 57.944 55.803 0.058 0.000 0.881 93 Q CB -0.160 28.605 28.738 0.046 0.000 0.917 93 Q HN 0.425 nan 8.270 nan 0.000 0.443 94 T N 0.722 115.305 114.554 0.048 0.000 3.088 94 T HA 0.100 4.450 4.350 -0.001 0.000 0.259 94 T C 1.459 176.196 174.700 0.062 0.000 1.122 94 T CA 0.348 62.474 62.100 0.044 0.000 1.095 94 T CB 0.122 69.003 68.868 0.021 0.000 0.930 94 T HN 0.264 nan 8.240 nan 0.000 0.508 95 L N 0.295 121.567 121.223 0.081 0.000 2.567 95 L HA 0.212 4.551 4.340 -0.001 0.000 0.225 95 L C 2.495 179.477 176.870 0.186 0.000 1.119 95 L CA 0.323 55.240 54.840 0.128 0.000 0.871 95 L CB -0.211 41.921 42.059 0.121 0.000 1.036 95 L HN 0.266 nan 8.230 nan 0.000 0.459 96 E N 0.551 120.829 120.200 0.130 0.000 2.021 96 E HA -0.273 4.077 4.350 -0.001 0.000 0.200 96 E C 2.029 178.698 176.600 0.116 0.000 1.015 96 E CA 2.568 59.036 56.400 0.113 0.000 0.824 96 E CB 0.032 29.780 29.700 0.080 0.000 0.762 96 E HN 0.540 nan 8.360 nan 0.000 0.454 97 T N -0.414 114.207 114.554 0.113 0.000 2.699 97 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 97 T C 1.774 176.549 174.700 0.126 0.000 1.036 97 T CA 1.452 63.612 62.100 0.100 0.000 1.147 97 T CB -0.720 68.205 68.868 0.095 0.000 0.862 97 T HN 0.198 nan 8.240 nan 0.000 0.446 98 F N 2.002 121.974 119.950 0.037 0.000 2.102 98 F HA 0.094 4.621 4.527 -0.001 0.000 0.298 98 F C 2.067 177.894 175.800 0.045 0.000 1.105 98 F CA 0.759 58.784 58.000 0.040 0.000 1.239 98 F CB -0.360 38.666 39.000 0.043 0.000 0.991 98 F HN 0.085 nan 8.300 nan 0.000 0.474 99 I N -0.059 120.594 120.570 0.138 0.000 2.226 99 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 99 I C 2.612 178.707 176.117 -0.037 0.000 1.100 99 I CA 1.542 62.867 61.300 0.041 0.000 1.374 99 I CB -0.546 37.529 38.000 0.126 0.000 1.057 99 I HN 0.100 nan 8.210 nan 0.000 0.413 100 R N 1.496 121.993 120.500 -0.006 0.000 2.082 100 R HA -0.210 4.129 4.340 -0.001 0.000 0.234 100 R C 2.205 178.477 176.300 -0.046 0.000 1.136 100 R CA 2.040 58.134 56.100 -0.011 0.000 0.935 100 R CB -0.188 30.117 30.300 0.009 0.000 0.842 100 R HN 0.410 nan 8.270 nan 0.000 0.430 101 E N -0.659 119.495 120.200 -0.076 0.000 2.085 101 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 101 E C 1.973 178.488 176.600 -0.141 0.000 0.994 101 E CA 1.738 58.082 56.400 -0.092 0.000 0.801 101 E CB -0.287 29.357 29.700 -0.094 0.000 0.743 101 E HN 0.354 nan 8.360 nan 0.000 0.453 102 T N 0.807 115.204 114.554 -0.262 0.000 2.652 102 T HA -0.242 4.108 4.350 -0.001 0.000 0.267 102 T C 2.284 176.910 174.700 -0.123 0.000 1.039 102 T CA 2.257 64.189 62.100 -0.279 0.000 1.153 102 T CB -0.661 67.928 68.868 -0.466 0.000 0.863 102 T HN 0.485 nan 8.240 nan 0.000 0.428 103 T N 1.148 115.657 114.554 -0.076 0.000 2.821 103 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 103 T C 2.030 176.735 174.700 0.008 0.000 1.046 103 T CA 0.993 63.086 62.100 -0.012 0.000 1.139 103 T CB -0.278 68.605 68.868 0.025 0.000 0.871 103 T HN 0.277 nan 8.240 nan 0.000 0.454 104 R N 0.352 120.849 120.500 -0.004 0.000 2.091 104 R HA -0.047 4.292 4.340 -0.001 0.000 0.238 104 R C 3.014 179.315 176.300 0.002 0.000 1.136 104 R CA 1.674 57.779 56.100 0.009 0.000 0.959 104 R CB -0.594 29.703 30.300 -0.004 0.000 0.856 104 R HN 0.399 nan 8.270 nan 0.000 0.437 105 S N 0.686 116.372 115.700 -0.024 0.000 2.356 105 S HA -0.060 4.410 4.470 -0.001 0.000 0.223 105 S C 1.896 176.491 174.600 -0.009 0.000 1.032 105 S CA 0.992 59.178 58.200 -0.023 0.000 1.005 105 S CB -0.102 63.069 63.200 -0.048 0.000 0.867 105 S HN 0.200 nan 8.310 nan 0.000 0.449 106 L N 1.099 122.317 121.223 -0.010 0.000 2.079 106 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 106 L C 2.228 179.112 176.870 0.024 0.000 1.081 106 L CA 0.951 55.793 54.840 0.003 0.000 0.752 106 L CB -0.594 41.465 42.059 0.001 0.000 0.896 106 L HN 0.308 nan 8.230 nan 0.000 0.433 107 L N -0.499 120.749 121.223 0.043 0.000 2.042 107 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 107 L C 2.254 179.152 176.870 0.045 0.000 1.076 107 L CA 1.169 56.052 54.840 0.072 0.000 0.749 107 L CB -0.723 41.394 42.059 0.096 0.000 0.893 107 L HN 0.280 nan 8.230 nan 0.000 0.432 108 D N -0.238 120.179 120.400 0.027 0.000 2.190 108 D HA -0.183 4.456 4.640 -0.001 0.000 0.200 108 D C 2.256 178.564 176.300 0.013 0.000 0.992 108 D CA 1.754 55.764 54.000 0.016 0.000 0.854 108 D CB -0.177 40.628 40.800 0.008 0.000 0.936 108 D HN 0.388 nan 8.370 nan 0.000 0.462 109 S N -0.382 115.326 115.700 0.013 0.000 2.607 109 S HA 0.019 4.488 4.470 -0.001 0.000 0.224 109 S C 0.868 175.473 174.600 0.009 0.000 0.969 109 S CA -0.252 57.953 58.200 0.008 0.000 0.927 109 S CB -0.396 62.806 63.200 0.003 0.000 0.772 109 S HN 0.123 nan 8.310 nan 0.000 0.533 110 I N 1.946 122.527 120.570 0.017 0.000 2.440 110 I HA 0.326 4.495 4.170 -0.001 0.000 0.294 110 I C -0.321 175.800 176.117 0.008 0.000 0.995 110 I CA -0.672 60.638 61.300 0.016 0.000 1.306 110 I CB 1.160 39.181 38.000 0.035 0.000 1.407 110 I HN 0.049 nan 8.210 nan 0.000 0.501 111 D N 8.006 128.407 120.400 0.001 0.000 2.454 111 D HA 0.261 4.900 4.640 -0.001 0.000 0.225 111 D C -1.617 174.679 176.300 -0.007 0.000 1.081 111 D CA -2.301 51.697 54.000 -0.003 0.000 0.864 111 D CB 1.335 42.132 40.800 -0.004 0.000 1.040 111 D HN 0.132 nan 8.370 nan 0.000 0.517 112 P HA -0.231 nan 4.420 nan 0.000 0.216 112 P C 1.523 178.818 177.300 -0.009 0.000 1.150 112 P CA 0.780 63.873 63.100 -0.011 0.000 0.843 112 P CB 0.304 32.002 31.700 -0.005 0.000 0.787 113 R N 0.439 120.936 120.500 -0.005 0.000 2.134 113 R HA -0.151 4.188 4.340 -0.001 0.000 0.248 113 R C 0.957 177.253 176.300 -0.007 0.000 1.143 113 R CA 1.578 57.675 56.100 -0.004 0.000 0.957 113 R CB -0.130 30.167 30.300 -0.004 0.000 0.867 113 R HN 0.378 nan 8.270 nan 0.000 0.441 114 E N -0.638 119.555 120.200 -0.011 0.000 2.472 114 E HA 0.144 4.493 4.350 -0.001 0.000 0.290 114 E C -2.001 174.589 176.600 -0.016 0.000 1.059 114 E CA -0.494 55.897 56.400 -0.015 0.000 0.861 114 E CB 1.341 31.034 29.700 -0.012 0.000 1.213 114 E HN -0.024 nan 8.360 nan 0.000 0.425 115 D N 1.176 121.563 120.400 -0.022 0.000 2.807 115 D HA 0.182 4.822 4.640 -0.001 0.000 0.279 115 D C -1.998 174.284 176.300 -0.030 0.000 1.247 115 D CA -0.396 53.591 54.000 -0.021 0.000 0.749 115 D CB 1.716 42.507 40.800 -0.015 0.000 1.264 115 D HN 0.382 nan 8.370 nan 0.000 0.421 116 D N 1.304 121.687 120.400 -0.028 0.000 2.392 116 D HA 0.261 4.900 4.640 -0.001 0.000 0.228 116 D C 1.580 177.853 176.300 -0.045 0.000 1.074 116 D CA -0.453 53.525 54.000 -0.037 0.000 0.838 116 D CB 0.719 41.503 40.800 -0.026 0.000 1.067 116 D HN 0.473 nan 8.370 nan 0.000 0.511 117 I N 1.235 121.763 120.570 -0.070 0.000 2.394 117 I HA -0.165 4.005 4.170 -0.001 0.000 0.251 117 I C 1.886 177.949 176.117 -0.090 0.000 1.136 117 I CA 0.187 61.429 61.300 -0.097 0.000 1.425 117 I CB -0.346 37.543 38.000 -0.185 0.000 1.079 117 I HN 0.137 nan 8.210 nan 0.000 0.425 118 V N 1.776 121.647 119.914 -0.071 0.000 2.233 118 V HA -0.298 3.822 4.120 -0.001 0.000 0.247 118 V C 2.777 178.854 176.094 -0.028 0.000 1.050 118 V CA 2.316 64.591 62.300 -0.042 0.000 1.010 118 V CB -0.873 30.944 31.823 -0.009 0.000 0.637 118 V HN 0.468 nan 8.190 nan 0.000 0.444 119 K N -0.175 120.211 120.400 -0.024 0.000 2.148 119 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 119 K C 2.043 178.630 176.600 -0.021 0.000 1.050 119 K CA 1.245 57.520 56.287 -0.020 0.000 0.942 119 K CB -0.003 32.486 32.500 -0.018 0.000 0.724 119 K HN 0.349 nan 8.250 nan 0.000 0.446 120 K N -0.003 120.382 120.400 -0.024 0.000 2.352 120 K HA 0.074 4.394 4.320 -0.001 0.000 0.194 120 K C 1.671 178.262 176.600 -0.017 0.000 1.038 120 K CA 0.144 56.420 56.287 -0.017 0.000 1.023 120 K CB 0.584 33.077 32.500 -0.011 0.000 0.840 120 K HN 0.200 nan 8.250 nan 0.000 0.519 121 L N -1.136 120.068 121.223 -0.031 0.000 2.678 121 L HA 0.198 4.538 4.340 -0.001 0.000 0.187 121 L C 1.862 178.712 176.870 -0.033 0.000 1.073 121 L CA 0.649 55.469 54.840 -0.034 0.000 0.883 121 L CB -0.408 41.611 42.059 -0.065 0.000 1.501 121 L HN -0.073 nan 8.230 nan 0.000 0.488 122 A N 0.038 122.827 122.820 -0.051 0.000 1.933 122 A HA -0.124 4.195 4.320 -0.001 0.000 0.218 122 A C 2.073 179.655 177.584 -0.004 0.000 1.175 122 A CA 2.054 54.071 52.037 -0.033 0.000 0.628 122 A CB -0.647 18.326 19.000 -0.045 0.000 0.814 122 A HN 0.301 nan 8.150 nan 0.000 0.444 123 V N 0.356 120.268 119.914 -0.004 0.000 2.302 123 V HA -0.094 4.025 4.120 -0.001 0.000 0.243 123 V C -0.274 175.830 176.094 0.017 0.000 1.036 123 V CA 2.238 64.542 62.300 0.007 0.000 1.020 123 V CB -1.119 30.702 31.823 -0.002 0.000 0.657 123 V HN 0.404 nan 8.190 nan 0.000 0.453 124 P HA -0.116 nan 4.420 nan 0.000 0.217 124 P C 2.049 179.375 177.300 0.044 0.000 1.151 124 P CA 1.207 64.323 63.100 0.025 0.000 0.828 124 P CB -0.030 31.676 31.700 0.011 0.000 0.788 125 L N -0.156 121.088 121.223 0.035 0.000 1.997 125 L HA -0.144 4.196 4.340 -0.001 0.000 0.216 125 L C -0.625 176.293 176.870 0.081 0.000 1.074 125 L CA 2.919 57.788 54.840 0.048 0.000 0.763 125 L CB -1.885 40.196 42.059 0.037 0.000 0.890 125 L HN 0.063 nan 8.230 nan 0.000 0.434 126 P HA -0.139 nan 4.420 nan 0.000 0.216 126 P C 1.897 179.255 177.300 0.097 0.000 1.153 126 P CA 1.413 64.566 63.100 0.087 0.000 0.848 126 P CB 0.037 31.780 31.700 0.072 0.000 0.787 127 I N -1.024 119.602 120.570 0.093 0.000 2.142 127 I HA -0.231 3.939 4.170 -0.001 0.000 0.240 127 I C 2.275 178.482 176.117 0.150 0.000 1.078 127 I CA 1.495 62.863 61.300 0.113 0.000 1.343 127 I CB -0.592 37.486 38.000 0.132 0.000 1.046 127 I HN -0.161 nan 8.210 nan 0.000 0.405 128 I N -0.047 120.619 120.570 0.160 0.000 2.264 128 I HA -0.254 3.916 4.170 -0.001 0.000 0.248 128 I C 2.371 178.659 176.117 0.285 0.000 1.111 128 I CA 1.136 62.563 61.300 0.212 0.000 1.382 128 I CB -0.289 37.815 38.000 0.173 0.000 1.060 128 I HN 0.019 nan 8.210 nan 0.000 0.418 129 V N 0.114 120.185 119.914 0.261 0.000 2.379 129 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 129 V C 2.261 178.457 176.094 0.170 0.000 1.044 129 V CA 1.397 63.873 62.300 0.294 0.000 1.036 129 V CB -0.318 31.654 31.823 0.248 0.000 0.664 129 V HN 0.314 nan 8.190 nan 0.000 0.453 130 I N 0.044 120.691 120.570 0.128 0.000 2.439 130 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 130 I C 2.462 178.600 176.117 0.034 0.000 1.139 130 I CA 1.317 62.670 61.300 0.088 0.000 1.438 130 I CB -0.270 37.764 38.000 0.056 0.000 1.085 130 I HN 0.173 nan 8.210 nan 0.000 0.427 131 S N 0.381 116.103 115.700 0.036 0.000 2.368 131 S HA -0.253 4.217 4.470 -0.001 0.000 0.225 131 S C 1.988 176.615 174.600 0.044 0.000 1.030 131 S CA 1.724 59.944 58.200 0.034 0.000 0.999 131 S CB -0.326 62.979 63.200 0.174 0.000 0.844 131 S HN 0.461 nan 8.310 nan 0.000 0.459 132 K N 1.276 121.693 120.400 0.028 0.000 2.097 132 K HA 0.078 4.397 4.320 -0.001 0.000 0.205 132 K C 1.865 178.402 176.600 -0.105 0.000 1.050 132 K CA 1.103 57.329 56.287 -0.102 0.000 0.938 132 K CB -0.283 31.996 32.500 -0.369 0.000 0.718 132 K HN 0.292 nan 8.250 nan 0.000 0.442 133 I N 0.286 120.828 120.570 -0.047 0.000 2.252 133 I HA -0.215 3.955 4.170 -0.001 0.000 0.245 133 I C 1.518 177.614 176.117 -0.034 0.000 1.102 133 I CA 0.659 61.939 61.300 -0.034 0.000 1.385 133 I CB -0.017 38.016 38.000 0.056 0.000 1.064 133 I HN 0.175 nan 8.210 nan 0.000 0.414 134 L N 0.186 121.405 121.223 -0.006 0.000 2.418 134 L HA 0.141 4.480 4.340 -0.001 0.000 0.218 134 L C 1.586 178.460 176.870 0.007 0.000 1.125 134 L CA 1.196 56.034 54.840 -0.002 0.000 0.835 134 L CB -0.899 41.159 42.059 -0.002 0.000 0.953 134 L HN 0.420 nan 8.230 nan 0.000 0.454 135 G N -0.530 108.277 108.800 0.011 0.000 2.132 135 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.228 135 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.228 135 G C 0.187 175.145 174.900 0.096 0.000 1.000 135 G CA 0.090 45.211 45.100 0.035 0.000 0.693 135 G HN 0.242 nan 8.290 nan 0.000 0.515 136 L N 0.236 121.531 121.223 0.121 0.000 2.334 136 L HA 0.433 4.773 4.340 -0.001 0.000 0.277 136 L C -1.820 175.232 176.870 0.303 0.000 1.075 136 L CA -2.332 52.649 54.840 0.235 0.000 0.804 136 L CB 1.100 43.301 42.059 0.237 0.000 1.174 136 L HN -0.158 nan 8.230 nan 0.000 0.438 137 P HA 0.032 nan 4.420 nan 0.000 0.256 137 P C 0.891 178.356 177.300 0.274 0.000 1.189 137 P CA 0.334 63.602 63.100 0.281 0.000 0.808 137 P CB 0.213 32.084 31.700 0.285 0.000 0.793 138 I N 2.687 123.390 120.570 0.220 0.000 2.761 138 I HA -0.250 3.919 4.170 -0.001 0.000 0.266 138 I C 1.768 177.933 176.117 0.080 0.000 1.239 138 I CA 1.143 62.560 61.300 0.195 0.000 1.451 138 I CB -0.276 37.830 38.000 0.176 0.000 1.096 138 I HN 0.415 nan 8.210 nan 0.000 0.465 139 E N 0.178 120.408 120.200 0.050 0.000 2.427 139 E HA -0.129 4.221 4.350 -0.001 0.000 0.196 139 E C 0.297 176.810 176.600 -0.146 0.000 1.028 139 E CA 0.657 57.044 56.400 -0.021 0.000 0.864 139 E CB -0.320 29.391 29.700 0.019 0.000 0.813 139 E HN 0.506 nan 8.360 nan 0.000 0.514 140 D N 1.192 121.420 120.400 -0.288 0.000 2.587 140 D HA 0.089 4.728 4.640 -0.001 0.000 0.233 140 D C 1.166 176.731 176.300 -1.227 0.000 1.213 140 D CA -0.097 53.482 54.000 -0.702 0.000 0.827 140 D CB 0.343 40.686 40.800 -0.760 0.000 1.006 140 D HN 0.064 nan 8.370 nan 0.000 0.490 141 K N 0.819 120.859 120.400 -0.601 0.000 2.020 141 K HA -0.174 4.146 4.320 -0.001 0.000 0.212 141 K C 1.456 177.816 176.600 -0.400 0.000 1.050 141 K CA 1.101 57.180 56.287 -0.347 0.000 0.929 141 K CB 0.299 32.724 32.500 -0.125 0.000 0.714 141 K HN 0.100 nan 8.250 nan 0.000 0.443 142 E N 0.782 120.750 120.200 -0.387 0.000 2.085 142 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 142 E C 1.972 178.257 176.600 -0.526 0.000 0.994 142 E CA 1.318 57.510 56.400 -0.347 0.000 0.801 142 E CB -0.125 29.415 29.700 -0.266 0.000 0.743 142 E HN 0.182 nan 8.360 nan 0.000 0.453 143 K N 0.528 120.444 120.400 -0.806 0.000 2.026 143 K HA -0.074 4.245 4.320 -0.001 0.000 0.208 143 K C 2.040 177.740 176.600 -1.500 0.000 1.048 143 K CA 1.183 56.707 56.287 -1.272 0.000 0.929 143 K CB -0.613 30.991 32.500 -1.493 0.000 0.713 143 K HN 0.164 nan 8.250 nan 0.000 0.439 144 F N 0.801 120.166 119.950 -0.976 0.000 2.161 144 F HA -0.237 4.289 4.527 -0.001 0.000 0.300 144 F C 2.210 177.793 175.800 -0.361 0.000 1.089 144 F CA 0.598 58.264 58.000 -0.557 0.000 1.282 144 F CB -0.175 38.665 39.000 -0.266 0.000 1.010 144 F HN -0.016 nan 8.300 nan 0.000 0.485 145 K N 0.861 121.149 120.400 -0.186 0.000 2.032 145 K HA -0.215 4.104 4.320 -0.001 0.000 0.209 145 K C 1.685 178.204 176.600 -0.135 0.000 1.048 145 K CA 2.007 58.220 56.287 -0.124 0.000 0.927 145 K CB -0.127 32.289 32.500 -0.140 0.000 0.712 145 K HN 0.321 nan 8.250 nan 0.000 0.441 146 E N -1.153 118.890 120.200 -0.261 0.000 2.216 146 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 146 E C 1.525 178.111 176.600 -0.023 0.000 0.988 146 E CA 0.773 57.074 56.400 -0.165 0.000 0.834 146 E CB -0.139 29.440 29.700 -0.201 0.000 0.772 146 E HN 0.376 nan 8.360 nan 0.000 0.479 147 W N 1.161 122.429 121.300 -0.055 0.000 2.584 147 W HA 0.155 4.815 4.660 -0.001 0.000 0.264 147 W C 1.951 178.422 176.519 -0.081 0.000 1.264 147 W CA 0.030 57.318 57.345 -0.094 0.000 1.306 147 W CB -0.889 28.520 29.460 -0.084 0.000 1.110 147 W HN 0.033 nan 8.180 nan 0.000 0.606 148 S N 0.262 116.042 115.700 0.134 0.000 2.440 148 S HA -0.240 4.230 4.470 -0.001 0.000 0.238 148 S C 1.354 175.985 174.600 0.052 0.000 1.010 148 S CA 1.920 60.167 58.200 0.079 0.000 0.972 148 S CB -0.395 62.837 63.200 0.053 0.000 0.774 148 S HN 0.330 nan 8.310 nan 0.000 0.501 149 D N 1.144 121.571 120.400 0.045 0.000 2.310 149 D HA -0.044 4.595 4.640 -0.001 0.000 0.212 149 D C 1.406 177.717 176.300 0.018 0.000 0.965 149 D CA 0.627 54.645 54.000 0.030 0.000 0.879 149 D CB -0.167 40.648 40.800 0.026 0.000 0.921 149 D HN 0.352 nan 8.370 nan 0.000 0.510 150 L N 0.141 121.362 121.223 -0.003 0.000 2.610 150 L HA 0.096 4.436 4.340 -0.001 0.000 0.232 150 L C 0.932 177.783 176.870 -0.032 0.000 1.149 150 L CA -0.394 54.420 54.840 -0.043 0.000 0.872 150 L CB -0.215 41.743 42.059 -0.169 0.000 0.992 150 L HN 0.026 nan 8.230 nan 0.000 0.447 151 V N 1.134 121.037 119.914 -0.019 0.000 2.790 151 V HA -0.190 3.930 4.120 -0.001 0.000 0.304 151 V C 1.656 177.685 176.094 -0.109 0.000 1.142 151 V CA 0.725 62.991 62.300 -0.057 0.000 1.282 151 V CB 1.244 33.074 31.823 0.012 0.000 0.877 151 V HN 0.402 nan 8.190 nan 0.000 0.504 152 A N 5.823 128.490 122.820 -0.254 0.000 2.024 152 A HA -0.130 4.189 4.320 -0.001 0.000 0.220 152 A C 1.632 179.069 177.584 -0.246 0.000 1.164 152 A CA 2.053 53.916 52.037 -0.290 0.000 0.643 152 A CB -0.696 18.069 19.000 -0.392 0.000 0.806 152 A HN 0.940 nan 8.150 nan 0.000 0.451 153 F N -0.515 119.414 119.950 -0.035 0.000 2.407 153 F HA 0.013 4.540 4.527 -0.001 0.000 0.299 153 F C 1.450 177.220 175.800 -0.049 0.000 1.097 153 F CA 0.515 58.485 58.000 -0.050 0.000 1.422 153 F CB 0.013 38.986 39.000 -0.044 0.000 1.067 153 F HN 0.072 nan 8.300 nan 0.000 0.539 154 R N 2.032 122.600 120.500 0.113 0.000 2.267 154 R HA 0.194 4.533 4.340 -0.001 0.000 0.319 154 R C -0.377 175.938 176.300 0.024 0.000 1.067 154 R CA -0.469 55.668 56.100 0.062 0.000 0.936 154 R CB 0.369 30.700 30.300 0.052 0.000 1.006 154 R HN -0.027 nan 8.270 nan 0.000 0.452 155 L N 2.773 124.003 121.223 0.012 0.000 2.488 155 L HA 0.415 4.755 4.340 -0.001 0.000 0.249 155 L C 1.400 178.272 176.870 0.003 0.000 1.151 155 L CA 0.163 54.999 54.840 -0.006 0.000 0.806 155 L CB 0.402 42.448 42.059 -0.022 0.000 1.261 155 L HN 0.843 nan 8.230 nan 0.000 0.484 156 G N 0.390 109.190 108.800 -0.001 0.000 2.684 156 G HA2 0.366 4.325 3.960 -0.001 0.000 0.255 156 G HA3 0.366 4.325 3.960 -0.001 0.000 0.255 156 G C -0.478 174.429 174.900 0.012 0.000 1.219 156 G CA -0.177 44.929 45.100 0.010 0.000 0.901 156 G HN 0.764 nan 8.290 nan 0.000 0.548 157 K N 0.496 120.908 120.400 0.019 0.000 2.584 157 K HA 0.272 4.591 4.320 -0.001 0.000 0.260 157 K C -3.095 173.521 176.600 0.026 0.000 0.949 157 K CA -1.191 55.108 56.287 0.019 0.000 0.888 157 K CB 1.815 34.326 32.500 0.018 0.000 1.330 157 K HN 0.276 nan 8.250 nan 0.000 0.432 158 P HA -0.083 nan 4.420 nan 0.000 0.267 158 P C 0.376 177.697 177.300 0.035 0.000 1.158 158 P CA 1.847 64.962 63.100 0.026 0.000 0.756 158 P CB 0.262 31.973 31.700 0.018 0.000 0.766 159 G N 2.223 111.048 108.800 0.041 0.000 2.393 159 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.299 159 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.299 159 G C 0.516 175.461 174.900 0.074 0.000 0.990 159 G CA 0.667 45.800 45.100 0.055 0.000 1.118 159 G HN 0.775 nan 8.290 nan 0.000 0.513 160 E N -0.759 119.488 120.200 0.079 0.000 2.641 160 E HA 0.124 4.473 4.350 -0.001 0.000 0.224 160 E C 2.165 178.827 176.600 0.104 0.000 0.951 160 E CA -0.346 56.107 56.400 0.088 0.000 1.102 160 E CB 0.052 29.791 29.700 0.065 0.000 1.091 160 E HN 0.382 nan 8.360 nan 0.000 0.507 161 I N 1.129 121.765 120.570 0.110 0.000 2.208 161 I HA -0.234 3.936 4.170 -0.001 0.000 0.245 161 I C 2.206 178.404 176.117 0.134 0.000 1.097 161 I CA 1.292 62.659 61.300 0.111 0.000 1.363 161 I CB -1.157 36.904 38.000 0.102 0.000 1.051 161 I HN 0.231 nan 8.210 nan 0.000 0.413 162 F N 2.486 122.466 119.950 0.050 0.000 2.146 162 F HA -0.196 4.331 4.527 -0.001 0.000 0.298 162 F C 2.479 178.318 175.800 0.065 0.000 1.096 162 F CA 1.455 59.486 58.000 0.052 0.000 1.275 162 F CB 0.030 39.053 39.000 0.039 0.000 1.008 162 F HN 0.014 nan 8.300 nan 0.000 0.480 163 E N 0.950 121.164 120.200 0.022 0.000 2.047 163 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 163 E C 2.443 179.007 176.600 -0.060 0.000 0.987 163 E CA 1.325 57.700 56.400 -0.042 0.000 0.799 163 E CB -1.038 28.706 29.700 0.073 0.000 0.752 163 E HN 0.465 nan 8.360 nan 0.000 0.449 164 L N 0.639 121.875 121.223 0.022 0.000 2.083 164 L HA -0.092 4.247 4.340 -0.001 0.000 0.209 164 L C 2.482 179.438 176.870 0.144 0.000 1.083 164 L CA 1.369 56.269 54.840 0.100 0.000 0.752 164 L CB -0.910 41.252 42.059 0.172 0.000 0.899 164 L HN 0.219 nan 8.230 nan 0.000 0.433 165 G N -0.050 108.766 108.800 0.026 0.000 2.421 165 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.216 165 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.216 165 G C 1.679 176.541 174.900 -0.063 0.000 1.171 165 G CA 0.817 45.918 45.100 0.002 0.000 0.775 165 G HN 0.227 nan 8.290 nan 0.000 0.543 166 K N 0.232 120.485 120.400 -0.245 0.000 2.032 166 K HA -0.084 4.235 4.320 -0.001 0.000 0.209 166 K C 2.551 179.122 176.600 -0.049 0.000 1.048 166 K CA 1.606 57.769 56.287 -0.207 0.000 0.927 166 K CB -0.145 32.166 32.500 -0.315 0.000 0.712 166 K HN 0.200 nan 8.250 nan 0.000 0.441 167 K N -0.869 119.517 120.400 -0.025 0.000 2.032 167 K HA -0.180 4.140 4.320 -0.001 0.000 0.209 167 K C 2.118 178.602 176.600 -0.193 0.000 1.048 167 K CA 1.906 58.189 56.287 -0.007 0.000 0.927 167 K CB -0.214 32.274 32.500 -0.020 0.000 0.712 167 K HN 0.198 nan 8.250 nan 0.000 0.441 168 Y N 0.627 120.865 120.300 -0.103 0.000 2.181 168 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 168 Y C 2.190 178.016 175.900 -0.123 0.000 1.146 168 Y CA 1.158 59.183 58.100 -0.126 0.000 1.164 168 Y CB -0.154 38.275 38.460 -0.052 0.000 0.982 168 Y HN 0.047 nan 8.280 nan 0.000 0.515 169 L N 0.372 121.641 121.223 0.076 0.000 1.971 169 L HA -0.292 4.047 4.340 -0.001 0.000 0.215 169 L C 2.112 178.973 176.870 -0.014 0.000 1.072 169 L CA 2.100 56.956 54.840 0.028 0.000 0.758 169 L CB -0.427 41.635 42.059 0.005 0.000 0.889 169 L HN 0.240 nan 8.230 nan 0.000 0.433 170 E N -0.591 119.594 120.200 -0.026 0.000 2.077 170 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 170 E C 2.100 178.542 176.600 -0.263 0.000 0.989 170 E CA 1.286 57.689 56.400 0.006 0.000 0.800 170 E CB -0.406 29.418 29.700 0.206 0.000 0.746 170 E HN 0.395 nan 8.360 nan 0.000 0.452 171 L N 1.577 122.366 121.223 -0.724 0.000 1.970 171 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 171 L C 2.151 178.740 176.870 -0.468 0.000 1.071 171 L CA 1.681 55.788 54.840 -1.222 0.000 0.751 171 L CB -0.591 40.785 42.059 -1.139 0.000 0.889 171 L HN 0.131 nan 8.230 nan 0.000 0.432 172 I N -0.485 119.961 120.570 -0.206 0.000 2.208 172 I HA -0.269 3.901 4.170 -0.001 0.000 0.245 172 I C 2.431 178.555 176.117 0.011 0.000 1.097 172 I CA 1.344 62.626 61.300 -0.030 0.000 1.363 172 I CB -1.063 36.981 38.000 0.073 0.000 1.051 172 I HN 0.476 nan 8.210 nan 0.000 0.413 173 G N -0.126 108.683 108.800 0.014 0.000 2.433 173 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.216 173 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.216 173 G C 1.623 176.598 174.900 0.124 0.000 1.186 173 G CA 0.751 45.891 45.100 0.066 0.000 0.779 173 G HN 0.371 nan 8.290 nan 0.000 0.543 174 Y N 1.139 121.453 120.300 0.024 0.000 2.151 174 Y HA -0.202 4.348 4.550 -0.001 0.000 0.284 174 Y C 2.876 178.878 175.900 0.170 0.000 1.166 174 Y CA 1.934 60.118 58.100 0.140 0.000 1.163 174 Y CB -0.241 38.303 38.460 0.140 0.000 0.974 174 Y HN 0.044 nan 8.280 nan 0.000 0.511 175 V N 0.192 120.228 119.914 0.204 0.000 2.427 175 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 175 V C 2.285 178.435 176.094 0.094 0.000 1.051 175 V CA 2.183 64.568 62.300 0.141 0.000 1.048 175 V CB -0.580 31.298 31.823 0.091 0.000 0.666 175 V HN 0.293 nan 8.190 nan 0.000 0.456 176 K N 0.157 120.601 120.400 0.073 0.000 2.009 176 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 176 K C 1.877 178.492 176.600 0.026 0.000 1.049 176 K CA 2.179 58.493 56.287 0.046 0.000 0.929 176 K CB -0.343 32.180 32.500 0.038 0.000 0.714 176 K HN 0.460 nan 8.250 nan 0.000 0.440 177 D N -0.864 119.551 120.400 0.024 0.000 2.228 177 D HA -0.135 4.505 4.640 -0.001 0.000 0.203 177 D C 0.515 176.662 176.300 -0.255 0.000 0.988 177 D CA 1.188 55.128 54.000 -0.100 0.000 0.864 177 D CB 0.109 40.829 40.800 -0.134 0.000 0.928 177 D HN 0.341 nan 8.370 nan 0.000 0.469 178 H N -1.336 117.638 119.070 -0.160 0.000 2.486 178 H HA 0.303 4.859 4.556 -0.001 0.000 0.284 178 H C 1.025 176.317 175.328 -0.059 0.000 1.103 178 H CA -0.151 55.822 56.048 -0.126 0.000 1.089 178 H CB 0.029 29.682 29.762 -0.183 0.000 1.603 178 H HN 0.055 nan 8.280 nan 0.000 0.557 179 L N -0.532 120.714 121.223 0.039 0.000 2.376 179 L HA -0.053 4.287 4.340 -0.001 0.000 0.219 179 L C 0.855 177.725 176.870 -0.000 0.000 1.133 179 L CA 1.376 56.229 54.840 0.022 0.000 0.816 179 L CB 0.003 42.068 42.059 0.010 0.000 0.933 179 L HN 0.323 nan 8.230 nan 0.000 0.449 180 N N -1.984 116.708 118.700 -0.014 0.000 2.177 180 N HA 0.070 4.809 4.740 -0.001 0.000 0.218 180 N C 0.094 175.593 175.510 -0.019 0.000 1.182 180 N CA -0.110 52.927 53.050 -0.022 0.000 0.882 180 N CB 0.738 39.207 38.487 -0.030 0.000 1.052 180 N HN 0.003 nan 8.380 nan 0.000 0.519 181 S N 0.095 115.791 115.700 -0.006 0.000 2.457 181 S HA 0.402 4.872 4.470 -0.001 0.000 0.237 181 S C 0.322 174.947 174.600 0.043 0.000 1.213 181 S CA -0.795 57.409 58.200 0.007 0.000 1.218 181 S CB 1.019 64.209 63.200 -0.018 0.000 0.922 181 S HN 0.310 nan 8.310 nan 0.000 0.488 182 G N 1.096 109.909 108.800 0.022 0.000 3.042 182 G HA2 0.669 4.629 3.960 -0.001 0.000 0.278 182 G HA3 0.669 4.629 3.960 -0.001 0.000 0.278 182 G C -0.043 174.852 174.900 -0.008 0.000 1.371 182 G CA -0.564 44.548 45.100 0.019 0.000 1.009 182 G HN 0.295 nan 8.290 nan 0.000 0.523 183 T N -2.554 111.988 114.554 -0.021 0.000 2.793 183 T HA 0.233 4.582 4.350 -0.001 0.000 0.299 183 T C 1.526 176.192 174.700 -0.056 0.000 1.038 183 T CA 0.818 62.893 62.100 -0.041 0.000 0.948 183 T CB 0.995 69.830 68.868 -0.055 0.000 1.231 183 T HN 0.722 nan 8.240 nan 0.000 0.538 184 E N -0.186 119.974 120.200 -0.067 0.000 2.118 184 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 184 E C 1.843 178.386 176.600 -0.096 0.000 0.992 184 E CA 1.717 58.072 56.400 -0.076 0.000 0.804 184 E CB -0.720 28.933 29.700 -0.077 0.000 0.741 184 E HN 0.467 nan 8.360 nan 0.000 0.458 185 V N 1.504 121.351 119.914 -0.112 0.000 2.261 185 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 185 V C 2.661 178.670 176.094 -0.142 0.000 1.047 185 V CA 1.712 63.930 62.300 -0.137 0.000 1.015 185 V CB -0.988 30.750 31.823 -0.143 0.000 0.642 185 V HN 0.505 nan 8.190 nan 0.000 0.446 186 V N -1.002 118.852 119.914 -0.100 0.000 2.407 186 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 186 V C 2.353 178.387 176.094 -0.101 0.000 1.055 186 V CA 2.626 64.871 62.300 -0.092 0.000 1.049 186 V CB -0.543 31.258 31.823 -0.037 0.000 0.662 186 V HN 0.495 nan 8.190 nan 0.000 0.455 187 S N 0.182 115.832 115.700 -0.084 0.000 2.359 187 S HA -0.270 4.200 4.470 -0.001 0.000 0.223 187 S C 2.084 176.626 174.600 -0.095 0.000 1.039 187 S CA 2.345 60.500 58.200 -0.075 0.000 1.042 187 S CB -0.562 62.601 63.200 -0.063 0.000 0.915 187 S HN 0.758 nan 8.310 nan 0.000 0.439 188 R N 0.611 121.041 120.500 -0.116 0.000 2.103 188 R HA -0.096 4.243 4.340 -0.001 0.000 0.242 188 R C 2.004 178.202 176.300 -0.169 0.000 1.142 188 R CA 1.767 57.788 56.100 -0.131 0.000 0.960 188 R CB -0.730 29.483 30.300 -0.146 0.000 0.858 188 R HN 0.286 nan 8.270 nan 0.000 0.439 189 V N -0.664 119.106 119.914 -0.240 0.000 2.323 189 V HA -0.179 3.940 4.120 -0.001 0.000 0.244 189 V C 2.186 178.187 176.094 -0.155 0.000 1.041 189 V CA 1.647 63.767 62.300 -0.299 0.000 1.025 189 V CB -0.156 31.393 31.823 -0.458 0.000 0.656 189 V HN 0.215 nan 8.190 nan 0.000 0.451 190 V N 0.670 120.516 119.914 -0.113 0.000 2.490 190 V HA -0.153 3.966 4.120 -0.001 0.000 0.250 190 V C 1.194 177.255 176.094 -0.056 0.000 1.061 190 V CA 1.539 63.799 62.300 -0.066 0.000 1.064 190 V CB -0.644 31.148 31.823 -0.050 0.000 0.670 190 V HN 0.638 nan 8.190 nan 0.000 0.461 191 N N 1.020 119.681 118.700 -0.066 0.000 2.714 191 N HA 0.158 4.897 4.740 -0.001 0.000 0.298 191 N C 0.069 175.549 175.510 -0.051 0.000 1.298 191 N CA 0.154 53.173 53.050 -0.051 0.000 1.007 191 N CB 0.714 39.172 38.487 -0.048 0.000 1.318 191 N HN 0.594 nan 8.380 nan 0.000 0.516 192 S N 0.000 115.670 115.700 -0.050 0.000 2.751 192 S HA 0.322 4.791 4.470 -0.001 0.000 0.310 192 S C 1.022 175.609 174.600 -0.023 0.000 1.128 192 S CA -0.836 57.340 58.200 -0.040 0.000 0.931 192 S CB 1.191 64.361 63.200 -0.050 0.000 1.177 192 S HN 0.272 nan 8.310 nan 0.000 0.530 193 N N 0.141 118.833 118.700 -0.014 0.000 2.467 193 N HA 0.037 4.776 4.740 -0.001 0.000 0.184 193 N C 0.455 175.965 175.510 0.001 0.000 1.106 193 N CA 0.002 53.047 53.050 -0.008 0.000 0.892 193 N CB -0.685 37.798 38.487 -0.007 0.000 0.969 193 N HN 0.587 nan 8.380 nan 0.000 0.454 194 L N 1.740 122.970 121.223 0.011 0.000 2.492 194 L HA -0.030 4.309 4.340 -0.001 0.000 0.280 194 L C 1.212 178.092 176.870 0.016 0.000 1.240 194 L CA -0.161 54.698 54.840 0.032 0.000 0.831 194 L CB 0.214 42.308 42.059 0.059 0.000 1.100 194 L HN 0.230 nan 8.230 nan 0.000 0.505 195 S N -0.374 115.336 115.700 0.015 0.000 2.661 195 S HA 0.119 4.588 4.470 -0.001 0.000 0.265 195 S C 0.480 175.082 174.600 0.004 0.000 1.225 195 S CA -0.787 57.411 58.200 -0.004 0.000 0.986 195 S CB 1.144 64.326 63.200 -0.030 0.000 1.008 195 S HN 0.562 nan 8.310 nan 0.000 0.565 196 D N 0.494 120.894 120.400 0.000 0.000 2.097 196 D HA 0.003 4.642 4.640 -0.001 0.000 0.197 196 D C 1.784 178.095 176.300 0.018 0.000 0.984 196 D CA 1.066 55.074 54.000 0.012 0.000 0.826 196 D CB -0.415 40.394 40.800 0.016 0.000 0.973 196 D HN 0.539 nan 8.370 nan 0.000 0.460 197 I N 0.970 121.541 120.570 0.001 0.000 2.208 197 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 197 I C 2.232 178.360 176.117 0.019 0.000 1.097 197 I CA 1.191 62.492 61.300 0.002 0.000 1.363 197 I CB -0.083 37.890 38.000 -0.045 0.000 1.051 197 I HN 0.009 nan 8.210 nan 0.000 0.413 198 E N 0.564 120.768 120.200 0.005 0.000 2.077 198 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 198 E C 2.162 178.824 176.600 0.104 0.000 0.989 198 E CA 1.120 57.544 56.400 0.041 0.000 0.800 198 E CB 0.054 29.794 29.700 0.067 0.000 0.746 198 E HN 0.412 nan 8.360 nan 0.000 0.452 199 K N 0.199 120.648 120.400 0.082 0.000 2.097 199 K HA -0.144 4.176 4.320 -0.001 0.000 0.205 199 K C 2.014 178.673 176.600 0.099 0.000 1.050 199 K CA 0.658 56.997 56.287 0.086 0.000 0.938 199 K CB -0.033 32.485 32.500 0.031 0.000 0.718 199 K HN 0.011 nan 8.250 nan 0.000 0.442 200 L N 0.689 121.955 121.223 0.072 0.000 2.017 200 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 200 L C 2.385 179.298 176.870 0.072 0.000 1.073 200 L CA 1.950 56.829 54.840 0.065 0.000 0.745 200 L CB -1.432 40.659 42.059 0.053 0.000 0.894 200 L HN 0.278 nan 8.230 nan 0.000 0.432 201 G N -2.053 106.784 108.800 0.061 0.000 2.459 201 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.217 201 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.217 201 G C 1.641 176.578 174.900 0.063 0.000 1.183 201 G CA 1.002 46.118 45.100 0.027 0.000 0.776 201 G HN 0.360 nan 8.290 nan 0.000 0.552 202 Y N 1.267 121.568 120.300 0.001 0.000 2.053 202 Y HA -0.203 4.347 4.550 -0.001 0.000 0.277 202 Y C 2.789 178.700 175.900 0.019 0.000 1.159 202 Y CA 1.325 59.435 58.100 0.016 0.000 1.125 202 Y CB -0.226 38.246 38.460 0.020 0.000 0.969 202 Y HN 0.109 nan 8.280 nan 0.000 0.492 203 I N 0.039 120.780 120.570 0.285 0.000 2.226 203 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 203 I C 2.534 178.716 176.117 0.108 0.000 1.100 203 I CA 1.429 62.834 61.300 0.175 0.000 1.374 203 I CB -1.478 36.584 38.000 0.104 0.000 1.057 203 I HN 0.311 nan 8.210 nan 0.000 0.413 204 I N 0.203 120.814 120.570 0.069 0.000 2.226 204 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 204 I C 2.618 178.743 176.117 0.013 0.000 1.100 204 I CA 1.046 62.358 61.300 0.020 0.000 1.374 204 I CB -0.390 37.605 38.000 -0.008 0.000 1.057 204 I HN 0.199 nan 8.210 nan 0.000 0.413 205 L N 1.131 122.358 121.223 0.007 0.000 1.971 205 L HA -0.236 4.104 4.340 -0.001 0.000 0.215 205 L C 2.391 179.271 176.870 0.017 0.000 1.072 205 L CA 1.967 56.792 54.840 -0.025 0.000 0.758 205 L CB -0.577 41.431 42.059 -0.086 0.000 0.889 205 L HN 0.118 nan 8.230 nan 0.000 0.433 206 L N -1.079 120.194 121.223 0.084 0.000 2.127 206 L HA -0.230 4.109 4.340 -0.001 0.000 0.211 206 L C 2.493 179.418 176.870 0.091 0.000 1.089 206 L CA 1.091 56.019 54.840 0.146 0.000 0.757 206 L CB -0.635 41.578 42.059 0.257 0.000 0.899 206 L HN 0.427 nan 8.230 nan 0.000 0.434 207 L N 0.542 121.793 121.223 0.047 0.000 2.044 207 L HA -0.121 4.218 4.340 -0.001 0.000 0.205 207 L C 2.054 178.917 176.870 -0.010 0.000 1.075 207 L CA 1.806 56.638 54.840 -0.013 0.000 0.747 207 L CB -0.166 41.869 42.059 -0.041 0.000 0.903 207 L HN 0.290 nan 8.230 nan 0.000 0.435 208 I N -4.332 116.243 120.570 0.008 0.000 4.057 208 I HA 0.352 4.521 4.170 -0.001 0.000 0.334 208 I C 2.032 178.158 176.117 0.015 0.000 1.308 208 I CA 0.591 61.903 61.300 0.020 0.000 1.125 208 I CB -0.495 37.522 38.000 0.028 0.000 1.034 208 I HN 0.074 nan 8.210 nan 0.000 0.401 209 A N 2.149 124.970 122.820 0.002 0.000 1.940 209 A HA -0.042 4.278 4.320 -0.001 0.000 0.219 209 A C 2.120 179.742 177.584 0.063 0.000 1.176 209 A CA 2.000 54.038 52.037 0.002 0.000 0.631 209 A CB -1.141 17.852 19.000 -0.013 0.000 0.814 209 A HN 0.584 nan 8.150 nan 0.000 0.446 210 G N -1.899 106.932 108.800 0.051 0.000 3.453 210 G HA2 0.172 4.131 3.960 -0.001 0.000 0.263 210 G HA3 0.172 4.131 3.960 -0.001 0.000 0.263 210 G C 0.773 175.718 174.900 0.075 0.000 1.060 210 G CA 0.300 45.445 45.100 0.076 0.000 0.793 210 G HN 0.352 nan 8.290 nan 0.000 0.532 211 N N 1.357 120.097 118.700 0.066 0.000 2.081 211 N HA -0.061 4.678 4.740 -0.001 0.000 0.191 211 N C 1.955 177.504 175.510 0.064 0.000 1.053 211 N CA 0.976 54.063 53.050 0.061 0.000 0.846 211 N CB -0.216 38.304 38.487 0.054 0.000 1.032 211 N HN 0.347 nan 8.380 nan 0.000 0.431 212 E N -0.022 120.220 120.200 0.069 0.000 2.110 212 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 212 E C 1.886 178.525 176.600 0.065 0.000 0.988 212 E CA 1.697 58.135 56.400 0.064 0.000 0.804 212 E CB -0.161 29.581 29.700 0.071 0.000 0.745 212 E HN 0.580 nan 8.360 nan 0.000 0.458 213 T N -0.972 113.636 114.554 0.090 0.000 2.674 213 T HA -0.143 4.207 4.350 -0.001 0.000 0.265 213 T C 2.125 176.857 174.700 0.054 0.000 1.039 213 T CA 1.757 63.899 62.100 0.070 0.000 1.150 213 T CB -0.798 68.142 68.868 0.121 0.000 0.864 213 T HN -0.023 nan 8.240 nan 0.000 0.427 214 T N 1.600 116.201 114.554 0.078 0.000 2.867 214 T HA -0.067 4.282 4.350 -0.001 0.000 0.268 214 T C 2.231 176.964 174.700 0.054 0.000 1.057 214 T CA 1.635 63.783 62.100 0.080 0.000 1.136 214 T CB -0.873 68.050 68.868 0.091 0.000 0.874 214 T HN 0.482 nan 8.240 nan 0.000 0.466 215 T N 2.367 116.949 114.554 0.046 0.000 2.708 215 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 215 T C 2.054 176.772 174.700 0.029 0.000 1.037 215 T CA 1.078 63.197 62.100 0.032 0.000 1.146 215 T CB -0.385 68.502 68.868 0.032 0.000 0.865 215 T HN 0.305 nan 8.240 nan 0.000 0.435 216 N N 1.275 119.994 118.700 0.032 0.000 2.223 216 N HA -0.041 4.698 4.740 -0.001 0.000 0.185 216 N C 1.638 177.162 175.510 0.022 0.000 1.016 216 N CA 0.526 53.596 53.050 0.032 0.000 0.863 216 N CB -0.611 37.881 38.487 0.008 0.000 0.983 216 N HN 0.237 nan 8.380 nan 0.000 0.429 217 L N 0.991 122.220 121.223 0.010 0.000 2.017 217 L HA 0.019 4.358 4.340 -0.001 0.000 0.208 217 L C 1.851 178.714 176.870 -0.012 0.000 1.073 217 L CA 1.354 56.193 54.840 -0.001 0.000 0.745 217 L CB -0.632 41.441 42.059 0.024 0.000 0.894 217 L HN 0.100 nan 8.230 nan 0.000 0.432 218 I N -1.053 119.514 120.570 -0.005 0.000 2.179 218 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 218 I C 2.425 178.486 176.117 -0.092 0.000 1.088 218 I CA 1.410 62.688 61.300 -0.037 0.000 1.357 218 I CB -0.440 37.543 38.000 -0.030 0.000 1.051 218 I HN 0.243 nan 8.210 nan 0.000 0.409 219 S N 0.852 116.518 115.700 -0.058 0.000 2.348 219 S HA -0.159 4.310 4.470 -0.001 0.000 0.221 219 S C 1.740 176.282 174.600 -0.095 0.000 1.033 219 S CA 1.485 59.643 58.200 -0.071 0.000 1.010 219 S CB -0.369 62.865 63.200 0.057 0.000 0.891 219 S HN 0.427 nan 8.310 nan 0.000 0.442 220 N N 1.325 120.025 118.700 0.002 0.000 2.223 220 N HA -0.006 4.734 4.740 -0.001 0.000 0.185 220 N C 1.812 177.212 175.510 -0.184 0.000 1.016 220 N CA 0.872 53.928 53.050 0.011 0.000 0.863 220 N CB -0.611 37.913 38.487 0.061 0.000 0.983 220 N HN 0.193 nan 8.380 nan 0.000 0.429 221 S N -0.100 115.429 115.700 -0.284 0.000 2.355 221 S HA -0.024 4.446 4.470 -0.001 0.000 0.222 221 S C 2.130 176.182 174.600 -0.914 0.000 1.031 221 S CA 0.589 58.375 58.200 -0.691 0.000 0.993 221 S CB -0.152 62.760 63.200 -0.480 0.000 0.859 221 S HN 0.075 nan 8.310 nan 0.000 0.453 222 V N 2.434 122.118 119.914 -0.385 0.000 2.295 222 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 222 V C 2.201 178.252 176.094 -0.072 0.000 1.049 222 V CA 1.279 63.550 62.300 -0.048 0.000 1.024 222 V CB -0.536 31.246 31.823 -0.068 0.000 0.648 222 V HN 0.435 nan 8.190 nan 0.000 0.447 223 I N 0.231 120.665 120.570 -0.227 0.000 2.179 223 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 223 I C 2.299 178.254 176.117 -0.270 0.000 1.088 223 I CA 1.839 62.993 61.300 -0.242 0.000 1.357 223 I CB -1.161 36.656 38.000 -0.305 0.000 1.051 223 I HN 0.362 nan 8.210 nan 0.000 0.409 224 D N 0.555 120.748 120.400 -0.346 0.000 2.117 224 D HA -0.149 4.491 4.640 -0.001 0.000 0.198 224 D C 2.150 178.233 176.300 -0.361 0.000 0.982 224 D CA 1.101 54.843 54.000 -0.430 0.000 0.828 224 D CB -0.280 40.318 40.800 -0.337 0.000 0.967 224 D HN 0.162 nan 8.370 nan 0.000 0.464 225 F N 1.278 120.944 119.950 -0.474 0.000 2.171 225 F HA -0.084 4.442 4.527 -0.001 0.000 0.300 225 F C 2.566 178.107 175.800 -0.432 0.000 1.090 225 F CA 0.761 58.345 58.000 -0.692 0.000 1.293 225 F CB -1.401 36.706 39.000 -1.488 0.000 1.013 225 F HN -0.068 nan 8.300 nan 0.000 0.486 226 T N 0.797 115.431 114.554 0.132 0.000 2.732 226 T HA -0.161 4.188 4.350 -0.001 0.000 0.261 226 T C 2.018 176.749 174.700 0.052 0.000 1.040 226 T CA 1.522 63.835 62.100 0.356 0.000 1.145 226 T CB -0.320 68.754 68.868 0.342 0.000 0.866 226 T HN 0.312 nan 8.240 nan 0.000 0.427 227 R N 0.329 120.722 120.500 -0.179 0.000 2.237 227 R HA 0.038 4.377 4.340 -0.001 0.000 0.219 227 R C 0.980 177.061 176.300 -0.364 0.000 1.080 227 R CA 1.260 57.164 56.100 -0.326 0.000 0.995 227 R CB -0.466 29.522 30.300 -0.521 0.000 0.875 227 R HN 0.314 nan 8.270 nan 0.000 0.462 228 F N 1.222 121.100 119.950 -0.119 0.000 2.661 228 F HA 0.314 4.840 4.527 -0.001 0.000 0.306 228 F C -0.104 175.649 175.800 -0.079 0.000 1.094 228 F CA -1.245 56.670 58.000 -0.142 0.000 1.254 228 F CB 0.008 38.823 39.000 -0.308 0.000 1.040 228 F HN -0.012 nan 8.300 nan 0.000 0.562 229 N N 1.546 120.319 118.700 0.121 0.000 2.688 229 N HA -0.213 4.526 4.740 -0.001 0.000 0.258 229 N C 0.472 176.038 175.510 0.093 0.000 1.016 229 N CA 0.556 53.692 53.050 0.143 0.000 0.747 229 N CB -1.440 37.121 38.487 0.123 0.000 0.895 229 N HN 0.381 nan 8.380 nan 0.000 0.543 230 L N -2.580 118.645 121.223 0.005 0.000 2.664 230 L HA 0.149 4.489 4.340 -0.001 0.000 0.233 230 L C 1.911 178.688 176.870 -0.154 0.000 1.113 230 L CA -0.239 54.531 54.840 -0.117 0.000 0.896 230 L CB -0.078 41.843 42.059 -0.230 0.000 1.163 230 L HN 0.267 nan 8.230 nan 0.000 0.497 231 W N 1.026 122.319 121.300 -0.012 0.000 2.302 231 W HA -0.283 4.377 4.660 -0.001 0.000 0.320 231 W C 2.724 179.192 176.519 -0.085 0.000 1.241 231 W CA 1.475 58.806 57.345 -0.023 0.000 1.264 231 W CB -0.332 29.184 29.460 0.094 0.000 1.154 231 W HN 0.187 nan 8.180 nan 0.000 0.483 232 Q N 0.255 120.156 119.800 0.169 0.000 2.050 232 Q HA -0.233 4.107 4.340 -0.001 0.000 0.202 232 Q C 2.507 178.504 176.000 -0.005 0.000 0.980 232 Q CA 1.404 57.244 55.803 0.063 0.000 0.840 232 Q CB -0.329 28.442 28.738 0.054 0.000 0.898 232 Q HN 0.184 nan 8.270 nan 0.000 0.424 233 R N 0.277 120.757 120.500 -0.034 0.000 2.081 233 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 233 R C 2.189 178.397 176.300 -0.153 0.000 1.131 233 R CA 1.266 57.318 56.100 -0.080 0.000 0.960 233 R CB -0.323 29.927 30.300 -0.083 0.000 0.856 233 R HN 0.350 nan 8.270 nan 0.000 0.436 234 I N -0.111 120.312 120.570 -0.244 0.000 2.315 234 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 234 I C 2.811 178.646 176.117 -0.470 0.000 1.117 234 I CA 1.018 62.048 61.300 -0.449 0.000 1.404 234 I CB -0.263 37.326 38.000 -0.684 0.000 1.071 234 I HN 0.130 nan 8.210 nan 0.000 0.419 235 R N 0.783 121.161 120.500 -0.203 0.000 2.062 235 R HA -0.111 4.228 4.340 -0.001 0.000 0.226 235 R C 2.157 178.451 176.300 -0.010 0.000 1.125 235 R CA 1.339 57.426 56.100 -0.021 0.000 0.966 235 R CB -0.039 30.311 30.300 0.082 0.000 0.861 235 R HN 0.379 nan 8.270 nan 0.000 0.433 236 E N 0.293 120.473 120.200 -0.034 0.000 2.031 236 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 236 E C 1.537 178.121 176.600 -0.027 0.000 0.994 236 E CA 1.474 57.862 56.400 -0.019 0.000 0.800 236 E CB 0.092 29.779 29.700 -0.021 0.000 0.752 236 E HN 0.416 nan 8.360 nan 0.000 0.447 237 E N 0.340 120.502 120.200 -0.063 0.000 2.478 237 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 237 E C -0.169 176.395 176.600 -0.060 0.000 1.045 237 E CA 0.016 56.382 56.400 -0.057 0.000 0.868 237 E CB -0.097 29.560 29.700 -0.071 0.000 0.885 237 E HN 0.167 nan 8.360 nan 0.000 0.505 238 N N 0.787 119.432 118.700 -0.092 0.000 2.641 238 N HA -0.194 4.545 4.740 -0.001 0.000 0.267 238 N C -0.476 174.972 175.510 -0.104 0.000 1.087 238 N CA 0.154 53.172 53.050 -0.052 0.000 0.731 238 N CB -1.037 37.509 38.487 0.098 0.000 0.886 238 N HN 0.176 nan 8.380 nan 0.000 0.547 239 L N 1.124 122.162 121.223 -0.308 0.000 2.872 239 L HA 0.213 4.553 4.340 -0.001 0.000 0.245 239 L C 0.997 177.747 176.870 -0.200 0.000 1.211 239 L CA -0.552 54.162 54.840 -0.209 0.000 1.013 239 L CB -0.215 41.711 42.059 -0.221 0.000 1.326 239 L HN 0.347 nan 8.230 nan 0.000 0.525 240 Y N 0.136 120.431 120.300 -0.010 0.000 2.069 240 Y HA -0.377 4.172 4.550 -0.001 0.000 0.278 240 Y C 2.367 178.314 175.900 0.078 0.000 1.175 240 Y CA 2.030 60.151 58.100 0.035 0.000 1.134 240 Y CB -0.507 38.004 38.460 0.084 0.000 0.965 240 Y HN 0.181 nan 8.280 nan 0.000 0.498 241 L N 0.189 121.554 121.223 0.236 0.000 1.956 241 L HA -0.305 4.034 4.340 -0.001 0.000 0.216 241 L C 2.337 179.292 176.870 0.142 0.000 1.073 241 L CA 1.991 56.938 54.840 0.179 0.000 0.762 241 L CB -0.374 41.770 42.059 0.141 0.000 0.889 241 L HN 0.152 nan 8.230 nan 0.000 0.433 242 K N -0.571 119.881 120.400 0.087 0.000 2.097 242 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 242 K C 2.058 178.685 176.600 0.045 0.000 1.049 242 K CA 1.284 57.605 56.287 0.056 0.000 0.933 242 K CB -0.325 32.181 32.500 0.011 0.000 0.717 242 K HN 0.515 nan 8.250 nan 0.000 0.442 243 A N 1.167 124.005 122.820 0.030 0.000 1.933 243 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 243 A C 2.065 179.824 177.584 0.292 0.000 1.175 243 A CA 1.257 53.335 52.037 0.069 0.000 0.628 243 A CB -0.477 18.405 19.000 -0.197 0.000 0.814 243 A HN 0.187 nan 8.150 nan 0.000 0.444 244 I N -0.524 120.217 120.570 0.286 0.000 2.353 244 I HA -0.157 4.013 4.170 -0.001 0.000 0.248 244 I C 2.280 178.506 176.117 0.181 0.000 1.119 244 I CA 0.913 62.392 61.300 0.299 0.000 1.417 244 I CB -0.158 38.011 38.000 0.282 0.000 1.078 244 I HN 0.245 nan 8.210 nan 0.000 0.421 245 E N 0.410 120.707 120.200 0.161 0.000 2.106 245 E HA -0.258 4.091 4.350 -0.001 0.000 0.192 245 E C 1.937 178.533 176.600 -0.007 0.000 0.984 245 E CA 1.068 57.558 56.400 0.151 0.000 0.806 245 E CB -0.148 29.685 29.700 0.220 0.000 0.750 245 E HN 0.403 nan 8.360 nan 0.000 0.458 246 E N 0.891 121.051 120.200 -0.067 0.000 2.107 246 E HA -0.045 4.305 4.350 -0.001 0.000 0.191 246 E C 1.847 178.291 176.600 -0.260 0.000 0.982 246 E CA 1.174 57.386 56.400 -0.314 0.000 0.809 246 E CB -0.186 29.123 29.700 -0.652 0.000 0.756 246 E HN 0.170 nan 8.360 nan 0.000 0.459 247 A N 0.487 123.336 122.820 0.050 0.000 1.902 247 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 247 A C 2.284 179.883 177.584 0.025 0.000 1.181 247 A CA 1.304 53.480 52.037 0.232 0.000 0.623 247 A CB -0.783 18.338 19.000 0.202 0.000 0.818 247 A HN 0.346 nan 8.150 nan 0.000 0.443 248 L N -1.008 120.139 121.223 -0.126 0.000 2.079 248 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 248 L C 2.853 179.468 176.870 -0.426 0.000 1.081 248 L CA 1.850 56.486 54.840 -0.340 0.000 0.752 248 L CB -0.360 41.364 42.059 -0.557 0.000 0.896 248 L HN 0.478 nan 8.230 nan 0.000 0.433 249 R N -1.129 119.121 120.500 -0.417 0.000 2.073 249 R HA -0.200 4.139 4.340 -0.001 0.000 0.229 249 R C 2.377 178.594 176.300 -0.140 0.000 1.120 249 R CA 1.510 57.428 56.100 -0.303 0.000 0.967 249 R CB -0.331 29.795 30.300 -0.291 0.000 0.862 249 R HN 0.282 nan 8.270 nan 0.000 0.436 250 Y N 0.082 120.267 120.300 -0.191 0.000 2.243 250 Y HA 0.047 4.597 4.550 -0.001 0.000 0.293 250 Y C 0.468 176.374 175.900 0.009 0.000 1.124 250 Y CA 1.196 59.243 58.100 -0.088 0.000 1.159 250 Y CB 0.594 39.099 38.460 0.075 0.000 1.008 250 Y HN -0.049 nan 8.280 nan 0.000 0.527 251 S N 2.720 118.509 115.700 0.148 0.000 2.080 251 S HA 0.260 4.730 4.470 -0.001 0.000 0.162 251 S C -2.802 171.814 174.600 0.026 0.000 1.618 251 S CA -1.210 57.055 58.200 0.107 0.000 1.200 251 S CB 0.650 63.954 63.200 0.173 0.000 1.135 251 S HN 0.093 nan 8.310 nan 0.000 0.455 252 P HA 0.218 nan 4.420 nan 0.000 0.271 252 P C -2.377 174.871 177.300 -0.085 0.000 1.226 252 P CA -1.209 61.841 63.100 -0.084 0.000 0.765 252 P CB 0.764 32.420 31.700 -0.073 0.000 0.835 253 P HA -0.099 nan 4.420 nan 0.000 0.218 253 P C 0.232 177.424 177.300 -0.181 0.000 1.148 253 P CA 1.226 64.252 63.100 -0.123 0.000 0.822 253 P CB 0.231 31.858 31.700 -0.122 0.000 0.784 254 V N 0.777 120.528 119.914 -0.271 0.000 2.350 254 V HA 0.147 4.267 4.120 -0.001 0.000 0.285 254 V C 1.240 177.185 176.094 -0.249 0.000 1.014 254 V CA -0.245 61.805 62.300 -0.417 0.000 0.831 254 V CB 1.328 32.679 31.823 -0.787 0.000 1.000 254 V HN -0.056 nan 8.190 nan 0.000 0.433 255 M N 3.931 123.443 119.600 -0.147 0.000 2.254 255 M HA 0.117 4.596 4.480 -0.001 0.000 0.265 255 M C 0.867 177.146 176.300 -0.036 0.000 1.066 255 M CA 1.330 56.635 55.300 0.009 0.000 1.123 255 M CB -0.511 32.189 32.600 0.167 0.000 1.388 255 M HN 0.773 nan 8.290 nan 0.000 0.425 256 R N -2.290 118.080 120.500 -0.217 0.000 2.766 256 R HA 0.677 5.016 4.340 -0.001 0.000 0.270 256 R C -0.880 175.256 176.300 -0.274 0.000 1.035 256 R CA -0.751 55.151 56.100 -0.331 0.000 0.911 256 R CB 1.669 31.533 30.300 -0.727 0.000 1.243 256 R HN -0.126 nan 8.270 nan 0.000 0.460 257 T N -0.392 114.019 114.554 -0.237 0.000 2.843 257 T HA 0.531 4.881 4.350 -0.001 0.000 0.302 257 T C -1.708 172.907 174.700 -0.142 0.000 1.232 257 T CA -0.592 61.442 62.100 -0.110 0.000 1.009 257 T CB 2.111 70.960 68.868 -0.032 0.000 1.254 257 T HN 0.464 nan 8.240 nan 0.000 0.504 258 V N 2.338 122.202 119.914 -0.082 0.000 3.046 258 V HA 0.951 5.070 4.120 -0.001 0.000 0.316 258 V C -1.281 174.818 176.094 0.008 0.000 1.104 258 V CA -0.632 61.628 62.300 -0.067 0.000 1.006 258 V CB 1.980 33.737 31.823 -0.110 0.000 1.058 258 V HN 0.933 nan 8.190 nan 0.000 0.440 259 R N 2.498 123.054 120.500 0.094 0.000 2.764 259 R HA 0.556 4.895 4.340 -0.001 0.000 0.270 259 R C -1.582 174.888 176.300 0.283 0.000 1.014 259 R CA -0.890 55.306 56.100 0.161 0.000 0.904 259 R CB 2.028 32.413 30.300 0.142 0.000 1.236 259 R HN 0.760 nan 8.270 nan 0.000 0.466 260 K N 0.468 121.002 120.400 0.223 0.000 2.397 260 K HA 0.306 4.626 4.320 -0.001 0.000 0.253 260 K C -0.847 175.777 176.600 0.038 0.000 0.932 260 K CA -0.398 55.951 56.287 0.103 0.000 0.795 260 K CB 1.504 33.996 32.500 -0.014 0.000 1.159 260 K HN 0.671 nan 8.250 nan 0.000 0.424 261 T N 1.413 115.947 114.554 -0.032 0.000 2.761 261 T HA 0.057 4.407 4.350 -0.001 0.000 0.287 261 T C 0.913 175.500 174.700 -0.188 0.000 0.931 261 T CA -0.458 61.530 62.100 -0.187 0.000 1.164 261 T CB 0.995 69.725 68.868 -0.229 0.000 0.876 261 T HN 0.528 nan 8.240 nan 0.000 0.534 262 K N 2.410 122.683 120.400 -0.211 0.000 2.442 262 K HA -0.034 4.285 4.320 -0.001 0.000 0.198 262 K C 0.512 177.012 176.600 -0.167 0.000 1.042 262 K CA 0.875 57.065 56.287 -0.161 0.000 0.958 262 K CB -0.033 32.378 32.500 -0.147 0.000 0.766 262 K HN 0.990 nan 8.250 nan 0.000 0.474 263 E N -2.725 117.347 120.200 -0.213 0.000 2.395 263 E HA 0.109 4.458 4.350 -0.001 0.000 0.273 263 E C -1.338 175.129 176.600 -0.222 0.000 1.206 263 E CA -1.243 55.047 56.400 -0.183 0.000 0.899 263 E CB 0.003 29.606 29.700 -0.162 0.000 1.405 263 E HN -0.008 nan 8.360 nan 0.000 0.418 264 R N 0.881 121.274 120.500 -0.177 0.000 2.638 264 R HA 0.437 4.776 4.340 -0.001 0.000 0.268 264 R C -0.948 175.214 176.300 -0.228 0.000 1.006 264 R CA 0.175 56.166 56.100 -0.182 0.000 1.088 264 R CB 0.789 31.011 30.300 -0.130 0.000 0.950 264 R HN 0.628 nan 8.270 nan 0.000 0.419 265 V N 2.970 122.731 119.914 -0.255 0.000 3.147 265 V HA 0.388 4.507 4.120 -0.001 0.000 0.299 265 V C -1.755 174.204 176.094 -0.226 0.000 1.302 265 V CA -0.987 61.152 62.300 -0.267 0.000 1.015 265 V CB 2.190 33.754 31.823 -0.432 0.000 1.086 265 V HN 0.971 nan 8.190 nan 0.000 0.437 266 K N 5.146 125.448 120.400 -0.163 0.000 2.389 266 K HA 0.558 4.878 4.320 -0.001 0.000 0.261 266 K C -1.698 174.829 176.600 -0.122 0.000 1.014 266 K CA -0.660 55.539 56.287 -0.146 0.000 0.920 266 K CB 1.446 33.886 32.500 -0.101 0.000 1.149 266 K HN 0.599 nan 8.250 nan 0.000 0.444 267 L N 5.757 126.871 121.223 -0.182 0.000 2.262 267 L HA 0.407 4.746 4.340 -0.001 0.000 0.288 267 L C 0.639 177.279 176.870 -0.384 0.000 1.035 267 L CA 1.297 56.006 54.840 -0.218 0.000 0.820 267 L CB 0.407 42.331 42.059 -0.224 0.000 1.204 267 L HN 1.015 nan 8.230 nan 0.000 0.424 268 G N 4.779 113.355 108.800 -0.373 0.000 2.596 268 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.304 268 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.304 268 G C 0.589 175.409 174.900 -0.134 0.000 1.189 268 G CA 0.557 45.451 45.100 -0.343 0.000 0.986 268 G HN 0.563 nan 8.290 nan 0.000 0.548 269 D N 1.501 121.846 120.400 -0.092 0.000 2.333 269 D HA 0.186 4.825 4.640 -0.001 0.000 0.208 269 D C 1.193 177.485 176.300 -0.012 0.000 0.984 269 D CA 0.724 54.717 54.000 -0.012 0.000 0.873 269 D CB 0.123 40.950 40.800 0.045 0.000 0.935 269 D HN 0.395 nan 8.370 nan 0.000 0.521 270 Q N 0.189 119.956 119.800 -0.054 0.000 2.230 270 Q HA 0.352 4.691 4.340 -0.001 0.000 0.248 270 Q C -0.105 175.779 176.000 -0.193 0.000 0.915 270 Q CA -0.036 55.739 55.803 -0.046 0.000 0.900 270 Q CB 1.107 29.846 28.738 0.003 0.000 1.229 270 Q HN -0.019 nan 8.270 nan 0.000 0.439 271 T N -0.070 114.388 114.554 -0.161 0.000 3.042 271 T HA 0.547 4.897 4.350 -0.001 0.000 0.356 271 T C 0.503 175.012 174.700 -0.319 0.000 1.233 271 T CA -0.539 61.437 62.100 -0.206 0.000 1.038 271 T CB -0.349 68.460 68.868 -0.099 0.000 1.089 271 T HN 0.320 nan 8.240 nan 0.000 0.531 272 I N 2.941 123.148 120.570 -0.605 0.000 2.556 272 I HA 0.160 4.329 4.170 -0.001 0.000 0.284 272 I C 1.107 177.020 176.117 -0.340 0.000 1.114 272 I CA -0.408 60.430 61.300 -0.769 0.000 1.418 272 I CB 0.522 37.873 38.000 -1.080 0.000 1.394 272 I HN 0.465 nan 8.210 nan 0.000 0.552 273 E N 4.472 124.572 120.200 -0.167 0.000 2.855 273 E HA 0.093 4.443 4.350 -0.001 0.000 0.259 273 E C -0.226 176.294 176.600 -0.133 0.000 1.390 273 E CA -0.382 55.950 56.400 -0.113 0.000 1.069 273 E CB 0.395 30.069 29.700 -0.042 0.000 1.172 273 E HN 0.544 nan 8.360 nan 0.000 0.668 274 E N -1.012 119.122 120.200 -0.110 0.000 2.331 274 E HA 0.285 4.635 4.350 -0.001 0.000 0.272 274 E C 0.501 177.043 176.600 -0.096 0.000 1.036 274 E CA 0.515 56.842 56.400 -0.120 0.000 0.864 274 E CB 0.366 30.002 29.700 -0.106 0.000 1.035 274 E HN 0.608 nan 8.360 nan 0.000 0.408 275 G N 3.130 111.860 108.800 -0.117 0.000 2.184 275 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.264 275 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.264 275 G C -0.044 174.765 174.900 -0.151 0.000 0.975 275 G CA 0.420 45.439 45.100 -0.134 0.000 0.642 275 G HN 0.593 nan 8.290 nan 0.000 0.536 276 E N -0.329 119.836 120.200 -0.058 0.000 2.366 276 E HA 0.397 4.747 4.350 -0.001 0.000 0.266 276 E C -0.477 176.170 176.600 0.079 0.000 1.051 276 E CA -0.488 55.954 56.400 0.069 0.000 0.884 276 E CB 0.757 30.604 29.700 0.244 0.000 1.006 276 E HN 0.246 nan 8.360 nan 0.000 0.417 277 Y N 0.535 120.961 120.300 0.210 0.000 2.304 277 Y HA 0.161 4.711 4.550 -0.001 0.000 0.328 277 Y C 0.187 176.228 175.900 0.235 0.000 1.123 277 Y CA -0.497 57.704 58.100 0.168 0.000 1.218 277 Y CB 1.171 39.702 38.460 0.117 0.000 1.207 277 Y HN 0.111 nan 8.280 nan 0.000 0.495 278 V N 5.385 125.519 119.914 0.367 0.000 2.376 278 V HA 0.392 4.512 4.120 -0.001 0.000 0.287 278 V C -0.184 175.965 176.094 0.092 0.000 1.015 278 V CA -1.244 61.210 62.300 0.256 0.000 0.834 278 V CB 1.372 33.303 31.823 0.180 0.000 1.001 278 V HN 0.618 nan 8.190 nan 0.000 0.428 279 R N 3.476 123.995 120.500 0.032 0.000 2.298 279 R HA 0.563 4.902 4.340 -0.001 0.000 0.310 279 R C -1.127 175.016 176.300 -0.261 0.000 1.068 279 R CA -0.243 55.750 56.100 -0.178 0.000 0.957 279 R CB 1.297 31.450 30.300 -0.244 0.000 1.003 279 R HN 0.527 nan 8.270 nan 0.000 0.454 280 V N 6.345 126.074 119.914 -0.308 0.000 2.311 280 V HA 0.153 4.273 4.120 -0.001 0.000 0.275 280 V C -0.701 175.208 176.094 -0.308 0.000 1.022 280 V CA -0.622 61.523 62.300 -0.258 0.000 0.830 280 V CB 0.937 32.645 31.823 -0.191 0.000 1.012 280 V HN 0.799 nan 8.190 nan 0.000 0.452 281 W N 5.913 127.052 121.300 -0.268 0.000 2.510 281 W HA 0.307 4.966 4.660 -0.001 0.000 0.388 281 W C 1.309 177.667 176.519 -0.268 0.000 1.092 281 W CA -0.268 56.900 57.345 -0.296 0.000 1.562 281 W CB 0.246 29.426 29.460 -0.467 0.000 1.603 281 W HN 0.571 nan 8.180 nan 0.000 0.396 282 I N 2.492 123.054 120.570 -0.014 0.000 2.208 282 I HA -0.360 3.810 4.170 -0.001 0.000 0.245 282 I C 2.503 178.618 176.117 -0.003 0.000 1.097 282 I CA 1.545 62.828 61.300 -0.027 0.000 1.363 282 I CB -0.414 37.547 38.000 -0.064 0.000 1.051 282 I HN 0.540 nan 8.210 nan 0.000 0.413 283 A N -0.410 122.428 122.820 0.030 0.000 1.940 283 A HA -0.265 4.055 4.320 -0.001 0.000 0.219 283 A C 2.464 180.015 177.584 -0.054 0.000 1.176 283 A CA 2.376 54.451 52.037 0.063 0.000 0.631 283 A CB -0.759 18.349 19.000 0.179 0.000 0.814 283 A HN 0.435 nan 8.150 nan 0.000 0.446 284 S N -0.607 114.830 115.700 -0.439 0.000 2.335 284 S HA 0.028 4.498 4.470 -0.001 0.000 0.217 284 S C 2.274 176.829 174.600 -0.075 0.000 1.032 284 S CA 1.510 59.406 58.200 -0.506 0.000 0.985 284 S CB -0.624 62.114 63.200 -0.769 0.000 0.896 284 S HN 0.927 nan 8.310 nan 0.000 0.445 285 A N 1.724 124.544 122.820 -0.000 0.000 1.971 285 A HA -0.226 4.094 4.320 -0.001 0.000 0.222 285 A C 1.865 179.634 177.584 0.308 0.000 1.182 285 A CA 2.141 54.277 52.037 0.165 0.000 0.649 285 A CB -1.323 17.729 19.000 0.086 0.000 0.818 285 A HN 0.806 nan 8.150 nan 0.000 0.458 286 N N -1.181 117.597 118.700 0.132 0.000 2.520 286 N HA -0.075 4.665 4.740 -0.001 0.000 0.185 286 N C 0.916 176.237 175.510 -0.315 0.000 1.068 286 N CA 0.334 53.337 53.050 -0.077 0.000 0.911 286 N CB 0.030 38.450 38.487 -0.111 0.000 0.961 286 N HN 0.343 nan 8.380 nan 0.000 0.446 287 R N 0.379 120.858 120.500 -0.035 0.000 2.543 287 R HA 0.079 4.418 4.340 -0.001 0.000 0.323 287 R C -0.474 175.906 176.300 0.133 0.000 1.002 287 R CA -0.138 55.952 56.100 -0.015 0.000 1.106 287 R CB 0.058 30.376 30.300 0.030 0.000 1.280 287 R HN 0.143 nan 8.270 nan 0.000 0.549 288 D N 3.144 123.704 120.400 0.267 0.000 2.451 288 D HA -0.075 4.564 4.640 -0.001 0.000 0.254 288 D C 1.153 177.583 176.300 0.217 0.000 1.204 288 D CA 0.400 54.547 54.000 0.244 0.000 0.896 288 D CB 1.071 42.046 40.800 0.291 0.000 1.136 288 D HN 0.209 nan 8.370 nan 0.000 0.499 289 E N 3.537 123.803 120.200 0.111 0.000 2.152 289 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 289 E C 1.442 178.064 176.600 0.037 0.000 0.983 289 E CA 0.655 57.098 56.400 0.072 0.000 0.818 289 E CB -0.191 29.528 29.700 0.032 0.000 0.758 289 E HN 0.671 nan 8.360 nan 0.000 0.467 290 E N 1.154 121.356 120.200 0.002 0.000 2.110 290 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 290 E C 1.998 178.520 176.600 -0.130 0.000 0.988 290 E CA 1.533 57.907 56.400 -0.044 0.000 0.804 290 E CB 0.245 29.914 29.700 -0.052 0.000 0.745 290 E HN 0.144 nan 8.360 nan 0.000 0.458 291 V N -0.350 119.425 119.914 -0.232 0.000 2.575 291 V HA 0.032 4.151 4.120 -0.001 0.000 0.242 291 V C 0.288 176.005 176.094 -0.628 0.000 1.045 291 V CA 0.721 62.682 62.300 -0.565 0.000 1.065 291 V CB -0.081 31.109 31.823 -1.056 0.000 0.717 291 V HN 0.110 nan 8.190 nan 0.000 0.467 292 F N 0.731 120.608 119.950 -0.122 0.000 2.325 292 F HA 0.423 4.950 4.527 -0.001 0.000 0.369 292 F C 0.448 176.241 175.800 -0.010 0.000 1.095 292 F CA -0.727 57.235 58.000 -0.062 0.000 1.082 292 F CB 0.129 39.096 39.000 -0.054 0.000 1.289 292 F HN 0.063 nan 8.300 nan 0.000 0.462 293 H N 3.981 123.082 119.070 0.052 0.000 2.886 293 H HA -0.000 4.555 4.556 -0.001 0.000 0.329 293 H C -0.072 175.280 175.328 0.040 0.000 1.044 293 H CA 0.745 56.807 56.048 0.024 0.000 1.456 293 H CB 0.639 30.393 29.762 -0.013 0.000 1.464 293 H HN 0.672 nan 8.280 nan 0.000 0.573 294 D N 2.824 122.997 120.400 -0.378 0.000 2.723 294 D HA -0.134 4.505 4.640 -0.001 0.000 0.236 294 D C 1.421 177.677 176.300 -0.072 0.000 1.138 294 D CA 0.991 54.855 54.000 -0.226 0.000 0.676 294 D CB -1.261 39.434 40.800 -0.175 0.000 1.069 294 D HN 0.897 nan 8.370 nan 0.000 0.430 295 G N 0.811 109.601 108.800 -0.017 0.000 2.470 295 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 295 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 295 G C 1.313 176.228 174.900 0.025 0.000 1.121 295 G CA 0.956 46.068 45.100 0.020 0.000 0.766 295 G HN 0.492 nan 8.290 nan 0.000 0.553 296 E N 0.609 120.825 120.200 0.027 0.000 2.427 296 E HA 0.050 4.399 4.350 -0.001 0.000 0.196 296 E C 0.656 177.354 176.600 0.164 0.000 1.028 296 E CA 0.319 56.771 56.400 0.087 0.000 0.864 296 E CB 0.023 29.746 29.700 0.039 0.000 0.813 296 E HN 0.212 nan 8.360 nan 0.000 0.514 297 K N 0.249 120.658 120.400 0.013 0.000 2.123 297 K HA 0.290 4.609 4.320 -0.001 0.000 0.259 297 K C -1.113 175.283 176.600 -0.340 0.000 0.960 297 K CA -0.862 55.340 56.287 -0.142 0.000 0.872 297 K CB 1.096 33.514 32.500 -0.136 0.000 1.079 297 K HN -0.025 nan 8.250 nan 0.000 0.440 298 F N 4.554 124.005 119.950 -0.831 0.000 2.368 298 F HA 0.324 4.850 4.527 -0.001 0.000 0.362 298 F C -0.465 174.998 175.800 -0.561 0.000 1.137 298 F CA -0.555 56.878 58.000 -0.945 0.000 1.161 298 F CB 0.210 38.278 39.000 -1.554 0.000 1.265 298 F HN 0.305 nan 8.300 nan 0.000 0.530 299 I N 9.370 129.676 120.570 -0.441 0.000 2.306 299 I HA 0.221 4.390 4.170 -0.001 0.000 0.288 299 I C -1.374 174.575 176.117 -0.281 0.000 1.036 299 I CA -1.823 59.329 61.300 -0.245 0.000 1.221 299 I CB 1.281 39.177 38.000 -0.172 0.000 1.385 299 I HN 0.448 nan 8.210 nan 0.000 0.472 300 P HA -0.156 nan 4.420 nan 0.000 0.222 300 P C 0.320 177.562 177.300 -0.097 0.000 1.147 300 P CA 1.319 64.381 63.100 -0.064 0.000 0.790 300 P CB 0.095 31.797 31.700 0.004 0.000 0.780 301 D N -1.783 118.565 120.400 -0.088 0.000 2.593 301 D HA 0.046 4.686 4.640 -0.001 0.000 0.241 301 D C 0.511 176.783 176.300 -0.047 0.000 1.257 301 D CA -0.726 53.237 54.000 -0.061 0.000 0.828 301 D CB -0.611 40.158 40.800 -0.051 0.000 1.049 301 D HN 0.011 nan 8.370 nan 0.000 0.490 302 R N 0.688 121.148 120.500 -0.067 0.000 2.638 302 R HA 0.174 4.514 4.340 -0.001 0.000 0.268 302 R C -0.817 175.486 176.300 0.005 0.000 1.006 302 R CA 0.282 56.362 56.100 -0.033 0.000 1.088 302 R CB 0.184 30.456 30.300 -0.046 0.000 0.950 302 R HN 0.098 nan 8.270 nan 0.000 0.419 303 N N 3.250 121.961 118.700 0.017 0.000 3.186 303 N HA 0.213 4.952 4.740 -0.001 0.000 0.230 303 N C -2.638 172.877 175.510 0.009 0.000 1.062 303 N CA -0.958 52.105 53.050 0.023 0.000 1.084 303 N CB 0.995 39.490 38.487 0.015 0.000 1.662 303 N HN 0.441 nan 8.380 nan 0.000 0.627 304 P HA 0.361 nan 4.420 nan 0.000 0.282 304 P C -1.052 176.289 177.300 0.068 0.000 1.286 304 P CA -0.210 62.907 63.100 0.028 0.000 0.777 304 P CB 0.479 32.183 31.700 0.007 0.000 1.184 305 N N 0.313 119.083 118.700 0.116 0.000 2.722 305 N HA 0.159 4.899 4.740 -0.001 0.000 0.242 305 N C -2.599 173.070 175.510 0.265 0.000 1.398 305 N CA -1.287 51.911 53.050 0.246 0.000 0.755 305 N CB 0.594 39.222 38.487 0.234 0.000 1.268 305 N HN 0.151 nan 8.380 nan 0.000 0.522 306 P HA 0.083 nan 4.420 nan 0.000 0.228 306 P C 0.172 177.730 177.300 0.430 0.000 1.748 306 P CA -0.098 63.116 63.100 0.189 0.000 0.909 306 P CB -0.932 30.816 31.700 0.079 0.000 1.882 307 H N -0.215 119.129 119.070 0.456 0.000 2.745 307 H HA 0.146 4.701 4.556 -0.001 0.000 0.373 307 H C -0.105 175.386 175.328 0.272 0.000 1.226 307 H CA -0.409 55.870 56.048 0.384 0.000 1.435 307 H CB 1.053 30.889 29.762 0.123 0.000 1.461 307 H HN 0.109 nan 8.280 nan 0.000 0.616 308 L N 1.737 123.168 121.223 0.347 0.000 3.017 308 L HA 0.105 4.445 4.340 -0.001 0.000 0.255 308 L C 1.437 178.401 176.870 0.157 0.000 1.247 308 L CA -0.209 54.733 54.840 0.170 0.000 1.038 308 L CB 0.436 42.510 42.059 0.024 0.000 1.380 308 L HN 0.553 nan 8.230 nan 0.000 0.548 309 S N -0.121 115.748 115.700 0.282 0.000 2.447 309 S HA 0.007 4.477 4.470 -0.001 0.000 0.233 309 S C 1.316 175.804 174.600 -0.187 0.000 1.006 309 S CA 1.223 59.391 58.200 -0.052 0.000 0.957 309 S CB -0.099 62.928 63.200 -0.289 0.000 0.773 309 S HN 0.425 nan 8.310 nan 0.000 0.507 310 F N 1.260 121.305 119.950 0.159 0.000 2.664 310 F HA 0.370 4.897 4.527 -0.001 0.000 0.303 310 F C 1.547 177.394 175.800 0.079 0.000 1.092 310 F CA 0.100 58.162 58.000 0.103 0.000 1.305 310 F CB 0.279 39.344 39.000 0.108 0.000 1.054 310 F HN 0.322 nan 8.300 nan 0.000 0.565 311 G N 0.559 109.473 108.800 0.190 0.000 2.615 311 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.218 311 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.218 311 G C -0.676 174.290 174.900 0.109 0.000 1.339 311 G CA -0.324 44.850 45.100 0.123 0.000 0.884 311 G HN 0.410 nan 8.290 nan 0.000 0.559 312 S N -1.286 114.463 115.700 0.082 0.000 2.547 312 S HA 0.853 5.323 4.470 -0.001 0.000 0.270 312 S C 0.511 175.159 174.600 0.078 0.000 1.150 312 S CA 1.313 59.550 58.200 0.062 0.000 0.850 312 S CB 1.003 64.207 63.200 0.006 0.000 1.118 312 S HN 3.093 nan 8.310 nan 0.000 0.461 313 G N 2.519 111.365 108.800 0.077 0.000 2.508 313 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.220 313 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.220 313 G C 0.746 175.683 174.900 0.061 0.000 1.287 313 G CA 0.093 45.250 45.100 0.094 0.000 0.916 313 G HN 1.731 nan 8.290 nan 0.000 0.574 314 I N -2.556 118.017 120.570 0.004 0.000 2.676 314 I HA 0.124 4.293 4.170 -0.001 0.000 0.259 314 I C 1.764 177.737 176.117 -0.241 0.000 1.194 314 I CA 1.802 63.005 61.300 -0.162 0.000 1.473 314 I CB -0.290 37.447 38.000 -0.438 0.000 1.096 314 I HN 0.483 nan 8.210 nan 0.000 0.443 315 H N 1.622 120.645 119.070 -0.078 0.000 2.539 315 H HA 0.345 4.900 4.556 -0.001 0.000 0.269 315 H C 0.889 176.262 175.328 0.076 0.000 0.980 315 H CA -0.379 55.666 56.048 -0.005 0.000 1.152 315 H CB 0.340 30.078 29.762 -0.041 0.000 1.407 315 H HN 0.281 nan 8.280 nan 0.000 0.564 316 L N 2.017 123.332 121.223 0.153 0.000 2.747 316 L HA -0.143 4.196 4.340 -0.001 0.000 0.286 316 L C 0.607 177.559 176.870 0.137 0.000 1.216 316 L CA 0.345 55.271 54.840 0.144 0.000 0.930 316 L CB 0.084 42.201 42.059 0.095 0.000 1.216 316 L HN 0.392 nan 8.230 nan 0.000 0.486 317 C N 6.151 125.561 119.300 0.185 0.000 1.912 317 C HA -0.151 4.308 4.460 -0.001 0.000 0.414 317 C C 1.998 176.988 174.990 0.000 0.000 1.545 317 C CA -0.041 59.066 59.018 0.148 0.000 1.468 317 C CB -1.061 26.861 27.740 0.304 0.000 2.697 317 C HN 0.895 nan 8.230 nan 0.000 0.597 318 L N 5.244 126.468 121.223 0.002 0.000 2.079 318 L HA -0.020 4.319 4.340 -0.001 0.000 0.210 318 L C 2.169 178.876 176.870 -0.273 0.000 1.081 318 L CA 2.269 57.081 54.840 -0.047 0.000 0.752 318 L CB -0.543 41.530 42.059 0.024 0.000 0.896 318 L HN 0.988 nan 8.230 nan 0.000 0.433 319 G N -2.277 106.286 108.800 -0.394 0.000 3.284 319 G HA2 0.194 4.153 3.960 -0.001 0.000 0.236 319 G HA3 0.194 4.153 3.960 -0.001 0.000 0.236 319 G C 1.463 176.145 174.900 -0.364 0.000 1.158 319 G CA 0.480 45.231 45.100 -0.581 0.000 0.774 319 G HN 0.474 nan 8.290 nan 0.000 0.545 320 A N 2.630 125.170 122.820 -0.466 0.000 1.884 320 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 320 A C 0.931 178.222 177.584 -0.488 0.000 1.197 320 A CA 2.016 53.483 52.037 -0.950 0.000 0.637 320 A CB -1.077 17.094 19.000 -1.383 0.000 0.827 320 A HN 0.374 nan 8.150 nan 0.000 0.450 321 P HA -0.127 nan 4.420 nan 0.000 0.218 321 P C 1.775 179.063 177.300 -0.020 0.000 1.149 321 P CA 0.816 63.859 63.100 -0.095 0.000 0.817 321 P CB -0.159 31.524 31.700 -0.028 0.000 0.785 322 L N -0.424 120.777 121.223 -0.037 0.000 2.005 322 L HA -0.114 4.225 4.340 -0.001 0.000 0.207 322 L C 2.497 179.393 176.870 0.044 0.000 1.072 322 L CA 1.916 56.775 54.840 0.031 0.000 0.744 322 L CB -1.035 41.019 42.059 -0.009 0.000 0.895 322 L HN -0.053 nan 8.230 nan 0.000 0.433 323 A N 0.154 122.987 122.820 0.022 0.000 1.892 323 A HA -0.292 4.028 4.320 -0.001 0.000 0.218 323 A C 2.267 179.949 177.584 0.162 0.000 1.188 323 A CA 2.073 54.183 52.037 0.123 0.000 0.631 323 A CB -0.625 18.522 19.000 0.245 0.000 0.822 323 A HN 0.444 nan 8.150 nan 0.000 0.447 324 R N -1.407 119.180 120.500 0.145 0.000 2.073 324 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 324 R C 2.164 178.546 176.300 0.138 0.000 1.134 324 R CA 1.414 57.617 56.100 0.172 0.000 0.952 324 R CB -0.578 29.808 30.300 0.142 0.000 0.850 324 R HN 0.488 nan 8.270 nan 0.000 0.433 325 L N 1.646 122.932 121.223 0.105 0.000 2.079 325 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 325 L C 1.715 178.649 176.870 0.108 0.000 1.081 325 L CA 1.853 56.754 54.840 0.102 0.000 0.752 325 L CB -0.299 41.816 42.059 0.094 0.000 0.896 325 L HN 0.160 nan 8.230 nan 0.000 0.433 326 E N -0.854 119.413 120.200 0.112 0.000 2.046 326 E HA -0.138 4.211 4.350 -0.001 0.000 0.190 326 E C 2.191 178.856 176.600 0.110 0.000 0.982 326 E CA 0.983 57.448 56.400 0.108 0.000 0.800 326 E CB -0.253 29.511 29.700 0.107 0.000 0.756 326 E HN 0.642 nan 8.360 nan 0.000 0.449 327 A N 1.438 124.334 122.820 0.126 0.000 1.877 327 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 327 A C 2.083 179.765 177.584 0.163 0.000 1.186 327 A CA 1.574 53.692 52.037 0.136 0.000 0.620 327 A CB -0.480 18.610 19.000 0.151 0.000 0.822 327 A HN 0.081 nan 8.150 nan 0.000 0.443 328 R N -0.268 120.331 120.500 0.166 0.000 2.096 328 R HA -0.138 4.202 4.340 -0.001 0.000 0.240 328 R C 1.969 178.329 176.300 0.100 0.000 1.139 328 R CA 2.045 58.244 56.100 0.166 0.000 0.952 328 R CB -0.439 29.948 30.300 0.146 0.000 0.854 328 R HN 0.564 nan 8.270 nan 0.000 0.436 329 I N 0.489 121.107 120.570 0.079 0.000 2.226 329 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 329 I C 2.574 178.738 176.117 0.078 0.000 1.100 329 I CA 1.168 62.498 61.300 0.049 0.000 1.374 329 I CB -0.406 37.626 38.000 0.054 0.000 1.057 329 I HN 0.334 nan 8.210 nan 0.000 0.413 330 A N 1.331 124.215 122.820 0.107 0.000 1.858 330 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 330 A C 2.236 179.956 177.584 0.227 0.000 1.190 330 A CA 1.471 53.585 52.037 0.128 0.000 0.617 330 A CB -0.638 18.413 19.000 0.084 0.000 0.827 330 A HN 0.274 nan 8.150 nan 0.000 0.443 331 I N 0.260 120.997 120.570 0.278 0.000 2.163 331 I HA -0.227 3.943 4.170 -0.001 0.000 0.243 331 I C 2.382 178.788 176.117 0.481 0.000 1.085 331 I CA 1.579 63.182 61.300 0.504 0.000 1.347 331 I CB -1.717 36.635 38.000 0.586 0.000 1.044 331 I HN 0.483 nan 8.210 nan 0.000 0.408 332 E N 0.502 120.762 120.200 0.100 0.000 2.012 332 E HA -0.229 4.121 4.350 -0.001 0.000 0.197 332 E C 2.034 178.664 176.600 0.051 0.000 1.007 332 E CA 1.226 57.478 56.400 -0.248 0.000 0.816 332 E CB -0.107 29.329 29.700 -0.440 0.000 0.762 332 E HN 0.421 nan 8.360 nan 0.000 0.451 333 E N 0.319 120.573 120.200 0.090 0.000 2.118 333 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 333 E C 1.867 178.607 176.600 0.233 0.000 0.992 333 E CA 0.850 57.325 56.400 0.124 0.000 0.804 333 E CB -0.384 29.380 29.700 0.107 0.000 0.741 333 E HN 0.285 nan 8.360 nan 0.000 0.458 334 F N 2.064 122.124 119.950 0.184 0.000 2.084 334 F HA -0.233 4.293 4.527 -0.001 0.000 0.296 334 F C 2.658 178.684 175.800 0.377 0.000 1.111 334 F CA 1.833 59.996 58.000 0.272 0.000 1.224 334 F CB -0.135 39.042 39.000 0.295 0.000 0.991 334 F HN 0.023 nan 8.300 nan 0.000 0.471 335 S N -0.175 115.791 115.700 0.443 0.000 2.469 335 S HA -0.174 4.295 4.470 -0.001 0.000 0.238 335 S C 1.748 176.250 174.600 -0.164 0.000 0.998 335 S CA 1.036 59.294 58.200 0.098 0.000 0.957 335 S CB -0.581 62.950 63.200 0.552 0.000 0.764 335 S HN 0.483 nan 8.310 nan 0.000 0.514 336 K N 0.565 120.948 120.400 -0.027 0.000 2.137 336 K HA 0.161 4.480 4.320 -0.001 0.000 0.202 336 K C 2.558 179.086 176.600 -0.121 0.000 1.052 336 K CA 0.377 56.627 56.287 -0.061 0.000 0.961 336 K CB -0.082 32.419 32.500 0.000 0.000 0.741 336 K HN 0.267 nan 8.250 nan 0.000 0.452 337 R N 0.942 121.387 120.500 -0.092 0.000 2.056 337 R HA -0.019 4.320 4.340 -0.001 0.000 0.227 337 R C 1.305 177.528 176.300 -0.128 0.000 1.149 337 R CA 0.782 56.838 56.100 -0.074 0.000 0.937 337 R CB -0.667 29.631 30.300 -0.003 0.000 0.835 337 R HN 0.168 nan 8.270 nan 0.000 0.430 338 F N 0.863 120.598 119.950 -0.359 0.000 2.412 338 F HA 0.304 4.830 4.527 -0.001 0.000 0.348 338 F C 1.248 176.865 175.800 -0.305 0.000 1.102 338 F CA -0.710 57.068 58.000 -0.369 0.000 1.196 338 F CB 0.799 39.447 39.000 -0.588 0.000 1.144 338 F HN -0.205 nan 8.300 nan 0.000 0.541 339 R N 0.948 121.240 120.500 -0.346 0.000 2.100 339 R HA 0.025 4.364 4.340 -0.001 0.000 0.220 339 R C 0.196 176.336 176.300 -0.266 0.000 1.091 339 R CA 0.716 56.617 56.100 -0.332 0.000 0.986 339 R CB -0.273 29.952 30.300 -0.126 0.000 0.888 339 R HN 0.750 nan 8.270 nan 0.000 0.444 340 H N -0.227 118.772 119.070 -0.119 0.000 2.930 340 H HA 0.404 4.960 4.556 -0.001 0.000 0.371 340 H C -1.655 173.818 175.328 0.242 0.000 1.169 340 H CA -0.853 55.207 56.048 0.020 0.000 1.157 340 H CB 2.163 31.924 29.762 -0.002 0.000 1.789 340 H HN 0.002 nan 8.280 nan 0.000 0.547 341 I N 3.181 123.470 120.570 -0.467 0.000 2.436 341 I HA 0.269 4.438 4.170 -0.001 0.000 0.289 341 I C -0.904 174.887 176.117 -0.544 0.000 1.010 341 I CA -0.444 60.586 61.300 -0.452 0.000 1.098 341 I CB 1.512 39.192 38.000 -0.532 0.000 1.266 341 I HN 0.645 nan 8.210 nan 0.000 0.434 342 E N 7.863 127.904 120.200 -0.264 0.000 2.145 342 E HA 0.348 4.697 4.350 -0.001 0.000 0.270 342 E C -1.081 175.470 176.600 -0.081 0.000 0.906 342 E CA -0.817 55.525 56.400 -0.097 0.000 0.761 342 E CB 1.240 30.983 29.700 0.072 0.000 1.116 342 E HN 0.500 nan 8.360 nan 0.000 0.408 343 I N 7.485 128.014 120.570 -0.068 0.000 2.294 343 I HA 0.012 4.182 4.170 -0.001 0.000 0.295 343 I C 1.119 177.208 176.117 -0.048 0.000 1.098 343 I CA 0.346 61.602 61.300 -0.072 0.000 1.277 343 I CB 0.215 38.166 38.000 -0.082 0.000 1.434 343 I HN 0.739 nan 8.210 nan 0.000 0.498 344 L N 3.717 124.913 121.223 -0.045 0.000 2.102 344 L HA 0.135 4.475 4.340 -0.001 0.000 0.202 344 L C 0.471 177.325 176.870 -0.027 0.000 1.076 344 L CA 0.968 55.791 54.840 -0.028 0.000 0.761 344 L CB -0.182 41.863 42.059 -0.023 0.000 0.921 344 L HN 0.488 nan 8.230 nan 0.000 0.444 345 D N -0.816 119.562 120.400 -0.036 0.000 2.736 345 D HA 0.383 5.022 4.640 -0.001 0.000 0.223 345 D C -1.115 175.166 176.300 -0.030 0.000 1.231 345 D CA -0.219 53.767 54.000 -0.024 0.000 0.818 345 D CB 2.131 42.923 40.800 -0.013 0.000 1.587 345 D HN 0.041 nan 8.370 nan 0.000 0.463 346 T N -0.605 113.949 114.554 -0.000 0.000 2.952 346 T HA 0.641 4.991 4.350 -0.001 0.000 0.305 346 T C -1.056 173.711 174.700 0.111 0.000 1.064 346 T CA -0.864 61.261 62.100 0.041 0.000 1.008 346 T CB 1.623 70.507 68.868 0.027 0.000 1.078 346 T HN 0.287 nan 8.240 nan 0.000 0.459 347 E N 2.124 122.418 120.200 0.157 0.000 2.235 347 E HA 0.364 4.714 4.350 -0.001 0.000 0.252 347 E C -0.749 175.929 176.600 0.130 0.000 0.886 347 E CA -0.715 55.752 56.400 0.111 0.000 0.767 347 E CB 1.223 30.958 29.700 0.059 0.000 1.205 347 E HN 0.604 nan 8.360 nan 0.000 0.421 348 K N 2.549 122.967 120.400 0.031 0.000 2.270 348 K HA 0.170 4.490 4.320 -0.001 0.000 0.276 348 K C -0.173 176.347 176.600 -0.133 0.000 1.023 348 K CA -0.560 55.608 56.287 -0.198 0.000 0.955 348 K CB 0.905 33.221 32.500 -0.306 0.000 0.975 348 K HN 0.395 nan 8.250 nan 0.000 0.471 349 V N 2.366 122.182 119.914 -0.163 0.000 2.585 349 V HA 0.193 4.312 4.120 -0.001 0.000 0.296 349 V C -2.055 173.989 176.094 -0.083 0.000 1.035 349 V CA -1.398 60.851 62.300 -0.086 0.000 1.084 349 V CB 0.327 32.110 31.823 -0.068 0.000 0.953 349 V HN 0.738 nan 8.190 nan 0.000 0.483 350 P HA 0.350 nan 4.420 nan 0.000 0.219 350 P C -0.654 176.632 177.300 -0.024 0.000 1.847 350 P CA 0.127 63.204 63.100 -0.038 0.000 1.059 350 P CB 0.064 31.748 31.700 -0.025 0.000 1.900 351 N N 1.274 119.958 118.700 -0.027 0.000 2.262 351 N HA 0.152 4.891 4.740 -0.001 0.000 0.295 351 N C 0.371 175.881 175.510 -0.001 0.000 1.161 351 N CA -0.361 52.684 53.050 -0.009 0.000 0.767 351 N CB 2.065 40.550 38.487 -0.004 0.000 1.499 351 N HN -0.179 nan 8.380 nan 0.000 0.476 352 E N 1.055 121.264 120.200 0.016 0.000 2.299 352 E HA 0.085 4.435 4.350 -0.001 0.000 0.193 352 E C 1.301 177.931 176.600 0.050 0.000 0.998 352 E CA 0.680 57.109 56.400 0.048 0.000 0.851 352 E CB 0.330 30.064 29.700 0.058 0.000 0.795 352 E HN 0.408 nan 8.360 nan 0.000 0.492 353 V N -0.192 119.725 119.914 0.006 0.000 2.908 353 V HA 0.131 4.250 4.120 -0.001 0.000 0.240 353 V C 0.935 176.994 176.094 -0.058 0.000 1.117 353 V CA 0.214 62.493 62.300 -0.036 0.000 1.133 353 V CB 0.125 31.930 31.823 -0.029 0.000 0.857 353 V HN 0.063 nan 8.190 nan 0.000 0.478 354 L N 2.539 123.744 121.223 -0.030 0.000 2.281 354 L HA 0.339 4.679 4.340 -0.001 0.000 0.285 354 L C 0.188 177.027 176.870 -0.051 0.000 1.074 354 L CA 0.340 55.153 54.840 -0.044 0.000 0.817 354 L CB 0.271 42.331 42.059 0.001 0.000 1.168 354 L HN 0.312 nan 8.230 nan 0.000 0.434 355 N N 3.207 121.869 118.700 -0.065 0.000 2.546 355 N HA 0.564 5.303 4.740 -0.001 0.000 0.238 355 N C -0.410 175.041 175.510 -0.098 0.000 0.984 355 N CA -0.119 52.886 53.050 -0.076 0.000 0.935 355 N CB 1.073 39.541 38.487 -0.031 0.000 1.122 355 N HN 0.789 nan 8.380 nan 0.000 0.510 356 G N 2.017 110.708 108.800 -0.181 0.000 2.570 356 G HA2 0.298 4.257 3.960 -0.001 0.000 0.310 356 G HA3 0.298 4.257 3.960 -0.001 0.000 0.310 356 G C -2.257 172.403 174.900 -0.400 0.000 1.266 356 G CA -0.435 44.562 45.100 -0.171 0.000 0.825 356 G HN 0.389 nan 8.290 nan 0.000 0.483 357 Y N -0.250 120.036 120.300 -0.023 0.000 2.446 357 Y HA 0.582 5.131 4.550 -0.001 0.000 0.345 357 Y C 1.200 177.087 175.900 -0.022 0.000 0.984 357 Y CA -0.750 57.335 58.100 -0.024 0.000 1.058 357 Y CB 2.698 41.137 38.460 -0.036 0.000 1.220 357 Y HN 0.619 nan 8.280 nan 0.000 0.455 358 K N 1.364 121.832 120.400 0.112 0.000 2.166 358 K HA 0.241 4.560 4.320 -0.001 0.000 0.201 358 K C -0.245 176.394 176.600 0.066 0.000 1.052 358 K CA 1.132 57.456 56.287 0.061 0.000 0.969 358 K CB 0.416 32.935 32.500 0.031 0.000 0.761 358 K HN 0.681 nan 8.250 nan 0.000 0.459 359 R N -0.253 120.303 120.500 0.093 0.000 2.651 359 R HA 0.426 4.766 4.340 -0.001 0.000 0.278 359 R C -1.850 174.468 176.300 0.030 0.000 1.010 359 R CA -0.903 55.224 56.100 0.047 0.000 0.896 359 R CB 1.750 32.066 30.300 0.028 0.000 1.211 359 R HN 0.018 nan 8.270 nan 0.000 0.456 360 L N 3.398 124.601 121.223 -0.032 0.000 2.514 360 L HA 0.325 4.664 4.340 -0.001 0.000 0.257 360 L C -1.410 175.407 176.870 -0.089 0.000 1.101 360 L CA -0.525 54.252 54.840 -0.105 0.000 0.911 360 L CB 1.735 43.691 42.059 -0.172 0.000 1.162 360 L HN 0.359 nan 8.230 nan 0.000 0.477 361 V N 3.872 123.745 119.914 -0.068 0.000 2.461 361 V HA 0.696 4.815 4.120 -0.001 0.000 0.275 361 V C 0.296 176.350 176.094 -0.067 0.000 1.047 361 V CA -0.447 61.820 62.300 -0.055 0.000 0.955 361 V CB 1.070 32.871 31.823 -0.036 0.000 0.988 361 V HN 0.489 nan 8.190 nan 0.000 0.471 362 V N 2.408 122.282 119.914 -0.067 0.000 3.007 362 V HA 0.778 4.898 4.120 -0.001 0.000 0.311 362 V C -0.568 175.488 176.094 -0.064 0.000 1.120 362 V CA -1.228 61.024 62.300 -0.079 0.000 0.980 362 V CB 2.098 33.853 31.823 -0.114 0.000 1.033 362 V HN 0.971 nan 8.190 nan 0.000 0.429 363 R N 3.401 123.866 120.500 -0.058 0.000 2.310 363 R HA 0.778 5.118 4.340 -0.001 0.000 0.324 363 R C -1.568 174.712 176.300 -0.033 0.000 0.955 363 R CA -0.648 55.435 56.100 -0.028 0.000 0.830 363 R CB 1.272 31.576 30.300 0.006 0.000 1.154 363 R HN 0.903 nan 8.270 nan 0.000 0.458 364 L N 3.104 124.301 121.223 -0.043 0.000 2.331 364 L HA 0.528 4.868 4.340 -0.001 0.000 0.275 364 L C -0.370 176.532 176.870 0.053 0.000 1.022 364 L CA -1.287 53.536 54.840 -0.027 0.000 0.812 364 L CB 1.643 43.622 42.059 -0.132 0.000 1.257 364 L HN 0.511 nan 8.230 nan 0.000 0.435 365 K N 1.827 122.299 120.400 0.119 0.000 2.334 365 K HA 0.300 4.620 4.320 -0.001 0.000 0.265 365 K C -0.118 176.503 176.600 0.035 0.000 1.039 365 K CA -0.183 56.148 56.287 0.073 0.000 0.920 365 K CB 1.302 33.851 32.500 0.083 0.000 1.160 365 K HN 0.580 nan 8.250 nan 0.000 0.451 366 S N 0.000 115.706 115.700 0.010 0.000 2.498 366 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 366 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 366 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 366 S HN 0.000 nan 8.310 nan 0.000 0.517