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 2aci_1_B DATA FIRST_RESID 6 DATA SEQUENCE TKLGVHSEAG KLRKVMVCSP GLAHQRLTPS NCDELLFDDV IWVNQAKRDH DATA SEQUENCE FDFVTKMRER GIDVLEMHNL LTETIQNPEA LKWILDRKIT ADSVGLGLTS DATA SEQUENCE ELRSWLESLE PRKLAEYLIG GVAADDLPAS EGANILKMYR EYLGHSSFLL DATA SEQUENCE PPLPNTQFTR ATTCWIYGGV TLNPMYWPAR RQETLLTTAI YKFHPEFANA DATA SEQUENCE EFEIWYGDPD KDHGSSTLEG GDVMPIGNGV VLIGMGERSS RQAIGQVAQS DATA SEQUENCE LFAKGAAERV IVAGLPKSRA AMHLDTVFSF CDRDLVTVFP EVVKEIVPFS DATA SEQUENCE LRPDPSSPYG MNIRREEKTF LEVVAESLGL KKLRVVETGX XXXAAEREQW DATA SEQUENCE DDGNNVVCLE PGVVVGYDRN TYTNTLLRKA GVEVITISAS ELGRGRGGGH DATA SEQUENCE CMTCPIVRDP IDY 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.731 174.700 0.052 0.000 1.109 6 T CA 0.000 62.108 62.100 0.014 0.000 1.349 6 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 7 K N 2.516 122.949 120.400 0.055 0.000 2.296 7 K HA 0.495 4.815 4.320 -0.001 0.000 0.257 7 K C -0.356 176.313 176.600 0.115 0.000 1.088 7 K CA -0.422 55.928 56.287 0.105 0.000 0.980 7 K CB 0.158 32.720 32.500 0.103 0.000 1.430 7 K HN 0.417 nan 8.250 nan 0.000 0.441 8 L N 1.605 122.904 121.223 0.127 0.000 2.395 8 L HA 0.601 4.941 4.340 -0.001 0.000 0.269 8 L C 0.706 177.689 176.870 0.188 0.000 1.133 8 L CA -0.352 54.509 54.840 0.035 0.000 0.812 8 L CB 1.161 43.151 42.059 -0.114 0.000 1.125 8 L HN 0.692 nan 8.230 nan 0.000 0.452 9 G N 1.225 110.095 108.800 0.116 0.000 2.358 9 G HA2 0.387 4.347 3.960 -0.001 0.000 0.301 9 G HA3 0.387 4.347 3.960 -0.001 0.000 0.301 9 G C -2.073 172.766 174.900 -0.101 0.000 1.539 9 G CA -0.629 44.540 45.100 0.115 0.000 0.893 9 G HN 0.307 nan 8.290 nan 0.000 0.636 10 V N 2.235 121.993 119.914 -0.261 0.000 2.409 10 V HA 0.454 4.574 4.120 -0.001 0.000 0.290 10 V C -0.090 175.828 176.094 -0.293 0.000 1.017 10 V CA -0.745 61.456 62.300 -0.166 0.000 0.841 10 V CB 1.386 33.207 31.823 -0.003 0.000 1.003 10 V HN 0.857 nan 8.190 nan 0.000 0.426 11 H N 2.865 122.070 119.070 0.224 0.000 2.488 11 H HA 0.493 5.049 4.556 -0.001 0.000 0.294 11 H C 0.636 176.112 175.328 0.248 0.000 1.088 11 H CA 0.531 56.805 56.048 0.377 0.000 1.086 11 H CB 0.987 30.960 29.762 0.352 0.000 1.569 11 H HN 0.666 nan 8.280 nan 0.000 0.548 12 S N -0.201 115.596 115.700 0.162 0.000 2.636 12 S HA 0.091 4.560 4.470 -0.001 0.000 0.266 12 S C -0.447 174.177 174.600 0.041 0.000 1.116 12 S CA -0.658 57.601 58.200 0.098 0.000 0.893 12 S CB 1.627 64.891 63.200 0.107 0.000 1.171 12 S HN 0.063 nan 8.310 nan 0.000 0.482 13 E N -0.438 119.758 120.200 -0.008 0.000 2.421 13 E HA 0.411 4.760 4.350 -0.001 0.000 0.209 13 E C 1.449 178.080 176.600 0.052 0.000 0.871 13 E CA 0.950 57.371 56.400 0.034 0.000 1.064 13 E CB 1.058 30.753 29.700 -0.008 0.000 1.075 13 E HN 0.639 nan 8.360 nan 0.000 0.513 14 A N 0.909 123.731 122.820 0.003 0.000 1.999 14 A HA 0.378 4.697 4.320 -0.001 0.000 0.200 14 A C 1.511 179.113 177.584 0.029 0.000 1.363 14 A CA 0.686 52.742 52.037 0.033 0.000 0.844 14 A CB -0.530 18.485 19.000 0.024 0.000 0.954 14 A HN 0.143 nan 8.150 nan 0.000 0.481 15 G N 0.725 109.538 108.800 0.022 0.000 2.670 15 G HA2 0.248 4.208 3.960 -0.001 0.000 0.233 15 G HA3 0.248 4.208 3.960 -0.001 0.000 0.233 15 G C -0.233 174.680 174.900 0.023 0.000 1.251 15 G CA -0.332 44.778 45.100 0.017 0.000 0.849 15 G HN 0.482 nan 8.290 nan 0.000 0.588 16 K N -0.001 120.405 120.400 0.010 0.000 2.440 16 K HA -0.058 4.261 4.320 -0.001 0.000 0.275 16 K C -0.005 176.599 176.600 0.007 0.000 1.082 16 K CA -0.120 56.169 56.287 0.004 0.000 1.135 16 K CB 0.380 32.877 32.500 -0.006 0.000 0.864 16 K HN 0.258 nan 8.250 nan 0.000 0.479 17 L N 4.975 126.197 121.223 -0.003 0.000 2.278 17 L HA 0.076 4.415 4.340 -0.001 0.000 0.287 17 L C 1.057 177.907 176.870 -0.033 0.000 1.072 17 L CA 0.344 55.176 54.840 -0.013 0.000 0.819 17 L CB 0.604 42.653 42.059 -0.017 0.000 1.176 17 L HN 0.487 nan 8.230 nan 0.000 0.435 18 R N 3.288 123.766 120.500 -0.036 0.000 2.090 18 R HA 0.154 4.493 4.340 -0.001 0.000 0.219 18 R C 0.104 176.359 176.300 -0.074 0.000 1.100 18 R CA 0.557 56.627 56.100 -0.050 0.000 0.991 18 R CB 0.071 30.346 30.300 -0.041 0.000 0.893 18 R HN 0.535 nan 8.270 nan 0.000 0.443 19 K N 1.110 121.454 120.400 -0.094 0.000 2.471 19 K HA 0.358 4.677 4.320 -0.001 0.000 0.252 19 K C -1.307 175.218 176.600 -0.125 0.000 0.938 19 K CA -0.357 55.858 56.287 -0.121 0.000 0.796 19 K CB 1.933 34.333 32.500 -0.168 0.000 1.161 19 K HN -0.187 nan 8.250 nan 0.000 0.425 20 V N 1.476 121.333 119.914 -0.094 0.000 3.040 20 V HA 0.608 4.727 4.120 -0.001 0.000 0.312 20 V C -0.677 175.404 176.094 -0.021 0.000 1.115 20 V CA -1.193 61.069 62.300 -0.063 0.000 0.998 20 V CB 1.951 33.746 31.823 -0.046 0.000 1.042 20 V HN 0.901 nan 8.190 nan 0.000 0.433 21 M N 3.355 122.970 119.600 0.025 0.000 2.393 21 M HA 0.821 5.301 4.480 -0.001 0.000 0.316 21 M C -1.040 175.325 176.300 0.108 0.000 1.087 21 M CA -0.562 54.780 55.300 0.070 0.000 0.937 21 M CB 1.840 34.500 32.600 0.100 0.000 1.668 21 M HN 0.956 nan 8.290 nan 0.000 0.438 22 V N 1.791 121.788 119.914 0.138 0.000 3.156 22 V HA 0.897 5.016 4.120 -0.001 0.000 0.311 22 V C -1.731 174.477 176.094 0.189 0.000 1.208 22 V CA -0.753 61.683 62.300 0.226 0.000 1.063 22 V CB 1.782 33.813 31.823 0.346 0.000 1.098 22 V HN 1.081 nan 8.190 nan 0.000 0.452 23 C N 1.282 120.687 119.300 0.174 0.000 2.716 23 C HA 0.722 5.182 4.460 -0.001 0.000 0.366 23 C C -0.003 174.869 174.990 -0.196 0.000 1.073 23 C CA 0.308 59.350 59.018 0.040 0.000 1.260 23 C CB 0.508 28.222 27.740 -0.043 0.000 1.755 23 C HN 1.394 nan 8.230 nan 0.000 0.475 24 S N 5.431 121.044 115.700 -0.146 0.000 2.580 24 S HA 0.571 5.040 4.470 -0.001 0.000 0.274 24 S C -2.337 172.158 174.600 -0.175 0.000 1.329 24 S CA -0.475 57.466 58.200 -0.432 0.000 1.036 24 S CB 0.763 63.925 63.200 -0.064 0.000 0.919 24 S HN 0.721 nan 8.310 nan 0.000 0.515 25 P HA 0.389 nan 4.420 nan 0.000 0.270 25 P C 0.222 177.476 177.300 -0.077 0.000 1.223 25 P CA 0.060 62.968 63.100 -0.320 0.000 0.785 25 P CB 0.636 31.833 31.700 -0.837 0.000 0.923 26 G N -0.245 108.669 108.800 0.191 0.000 2.635 26 G HA2 0.115 4.074 3.960 -0.001 0.000 0.194 26 G HA3 0.115 4.074 3.960 -0.001 0.000 0.194 26 G C 0.118 175.067 174.900 0.080 0.000 1.198 26 G CA -0.394 44.736 45.100 0.050 0.000 0.972 26 G HN 0.466 nan 8.290 nan 0.000 0.520 27 L N 1.229 122.451 121.223 -0.002 0.000 2.081 27 L HA 0.057 4.397 4.340 -0.001 0.000 0.212 27 L C 3.104 179.941 176.870 -0.055 0.000 1.080 27 L CA 3.186 58.005 54.840 -0.034 0.000 0.754 27 L CB -0.762 41.249 42.059 -0.080 0.000 0.893 27 L HN 0.720 nan 8.230 nan 0.000 0.433 28 A N -0.552 122.208 122.820 -0.100 0.000 1.852 28 A HA -0.342 3.977 4.320 -0.001 0.000 0.217 28 A C 2.074 179.483 177.584 -0.291 0.000 1.215 28 A CA 2.314 54.185 52.037 -0.276 0.000 0.641 28 A CB -1.375 17.341 19.000 -0.474 0.000 0.838 28 A HN 0.695 nan 8.150 nan 0.000 0.450 29 H N -0.803 118.127 119.070 -0.233 0.000 2.457 29 H HA -0.105 4.450 4.556 -0.001 0.000 0.297 29 H C 2.071 177.326 175.328 -0.122 0.000 1.092 29 H CA 1.522 57.409 56.048 -0.267 0.000 1.309 29 H CB -0.232 29.356 29.762 -0.291 0.000 1.382 29 H HN 0.647 nan 8.280 nan 0.000 0.535 30 Q N 0.201 120.032 119.800 0.051 0.000 2.369 30 Q HA -0.001 4.338 4.340 -0.001 0.000 0.206 30 Q C 1.471 177.501 176.000 0.051 0.000 0.963 30 Q CA 0.590 56.422 55.803 0.048 0.000 0.894 30 Q CB 0.275 29.032 28.738 0.031 0.000 0.965 30 Q HN 0.462 nan 8.270 nan 0.000 0.475 31 R N -0.420 120.095 120.500 0.025 0.000 2.317 31 R HA 0.173 4.512 4.340 -0.001 0.000 0.208 31 R C -0.064 176.317 176.300 0.136 0.000 0.914 31 R CA -0.084 56.067 56.100 0.086 0.000 1.060 31 R CB 0.339 30.629 30.300 -0.016 0.000 1.015 31 R HN 0.161 nan 8.270 nan 0.000 0.498 32 L N 1.850 123.112 121.223 0.065 0.000 2.380 32 L HA 0.120 4.460 4.340 -0.001 0.000 0.273 32 L C 0.696 177.623 176.870 0.095 0.000 1.138 32 L CA 0.151 55.035 54.840 0.074 0.000 0.832 32 L CB 1.076 43.148 42.059 0.022 0.000 1.124 32 L HN 0.099 nan 8.230 nan 0.000 0.454 33 T N -0.588 114.027 114.554 0.101 0.000 2.901 33 T HA 0.431 4.781 4.350 -0.001 0.000 0.293 33 T C -2.305 172.441 174.700 0.076 0.000 1.084 33 T CA -1.857 60.291 62.100 0.080 0.000 1.008 33 T CB 2.170 71.077 68.868 0.065 0.000 1.170 33 T HN 0.190 nan 8.240 nan 0.000 0.509 34 P HA -0.050 nan 4.420 nan 0.000 0.220 34 P C 1.628 178.957 177.300 0.048 0.000 1.148 34 P CA 1.152 64.286 63.100 0.057 0.000 0.803 34 P CB 0.054 31.779 31.700 0.041 0.000 0.782 35 S N -0.701 115.022 115.700 0.039 0.000 2.470 35 S HA -0.049 4.420 4.470 -0.001 0.000 0.225 35 S C 1.520 176.138 174.600 0.030 0.000 1.006 35 S CA 0.727 58.943 58.200 0.027 0.000 0.934 35 S CB -1.021 62.187 63.200 0.013 0.000 0.778 35 S HN 0.161 nan 8.310 nan 0.000 0.517 36 N N 1.110 119.839 118.700 0.050 0.000 2.203 36 N HA 0.063 4.802 4.740 -0.001 0.000 0.207 36 N C 1.448 177.011 175.510 0.088 0.000 1.130 36 N CA 0.374 53.462 53.050 0.062 0.000 0.861 36 N CB -0.972 37.564 38.487 0.082 0.000 1.005 36 N HN 0.633 nan 8.380 nan 0.000 0.507 37 C N -1.831 117.527 119.300 0.096 0.000 2.464 37 C HA 0.209 4.668 4.460 -0.001 0.000 0.278 37 C C 1.805 176.858 174.990 0.105 0.000 1.375 37 C CA -0.075 59.023 59.018 0.134 0.000 1.761 37 C CB -0.324 27.530 27.740 0.190 0.000 1.944 37 C HN 0.197 nan 8.230 nan 0.000 0.509 38 D N 2.092 122.525 120.400 0.056 0.000 2.084 38 D HA -0.157 4.482 4.640 -0.001 0.000 0.196 38 D C 2.149 178.429 176.300 -0.033 0.000 0.985 38 D CA 2.196 56.204 54.000 0.013 0.000 0.826 38 D CB -0.535 40.264 40.800 -0.001 0.000 0.978 38 D HN 0.863 nan 8.370 nan 0.000 0.456 39 E N 0.356 120.539 120.200 -0.029 0.000 2.333 39 E HA -0.143 4.207 4.350 -0.001 0.000 0.198 39 E C 1.504 178.076 176.600 -0.047 0.000 1.007 39 E CA 0.674 57.036 56.400 -0.064 0.000 0.845 39 E CB -0.072 29.607 29.700 -0.035 0.000 0.766 39 E HN 0.075 nan 8.360 nan 0.000 0.507 40 L N 0.731 121.965 121.223 0.018 0.000 2.628 40 L HA 0.190 4.530 4.340 -0.001 0.000 0.229 40 L C 0.102 177.011 176.870 0.066 0.000 1.137 40 L CA -0.000 54.870 54.840 0.051 0.000 0.909 40 L CB -0.109 42.007 42.059 0.095 0.000 1.137 40 L HN 0.237 nan 8.230 nan 0.000 0.470 41 L N -1.429 119.800 121.223 0.011 0.000 4.001 41 L HA -0.285 4.054 4.340 -0.001 0.000 0.413 41 L C -0.034 176.938 176.870 0.170 0.000 1.185 41 L CA 0.991 55.845 54.840 0.024 0.000 0.963 41 L CB -2.749 39.301 42.059 -0.015 0.000 1.976 41 L HN 0.164 nan 8.230 nan 0.000 0.939 42 F N 0.337 120.315 119.950 0.047 0.000 2.444 42 F HA 0.322 4.848 4.527 -0.001 0.000 0.342 42 F C 1.560 177.419 175.800 0.098 0.000 1.121 42 F CA -0.287 57.774 58.000 0.101 0.000 0.997 42 F CB 1.222 40.281 39.000 0.099 0.000 1.130 42 F HN 0.045 nan 8.300 nan 0.000 0.454 43 D N 2.423 122.654 120.400 -0.282 0.000 2.495 43 D HA -0.277 4.362 4.640 -0.001 0.000 0.201 43 D C -0.111 176.223 176.300 0.057 0.000 1.041 43 D CA 2.427 56.350 54.000 -0.127 0.000 0.890 43 D CB 0.053 40.718 40.800 -0.225 0.000 1.089 43 D HN 0.647 nan 8.370 nan 0.000 0.471 44 D N -2.344 118.152 120.400 0.160 0.000 2.583 44 D HA 0.271 4.910 4.640 -0.001 0.000 0.248 44 D C -1.304 175.200 176.300 0.340 0.000 1.209 44 D CA -0.728 53.397 54.000 0.208 0.000 0.848 44 D CB 1.651 42.526 40.800 0.125 0.000 1.431 44 D HN -0.031 nan 8.370 nan 0.000 0.436 45 V N 2.168 122.224 119.914 0.236 0.000 2.673 45 V HA 0.233 4.352 4.120 -0.001 0.000 0.303 45 V C 0.565 176.787 176.094 0.213 0.000 1.046 45 V CA 0.185 62.611 62.300 0.210 0.000 1.126 45 V CB 0.120 32.023 31.823 0.133 0.000 0.934 45 V HN 0.466 nan 8.190 nan 0.000 0.487 46 I N 1.071 121.769 120.570 0.213 0.000 2.740 46 I HA 0.498 4.667 4.170 -0.001 0.000 0.303 46 I C -0.676 175.581 176.117 0.233 0.000 1.044 46 I CA -0.992 60.436 61.300 0.213 0.000 1.064 46 I CB 1.671 39.789 38.000 0.196 0.000 1.249 46 I HN 0.663 nan 8.210 nan 0.000 0.433 47 W N 5.989 127.305 121.300 0.028 0.000 2.598 47 W HA 0.314 4.973 4.660 -0.001 0.000 0.396 47 W C 0.477 176.988 176.519 -0.013 0.000 1.142 47 W CA -0.818 56.534 57.345 0.011 0.000 1.568 47 W CB -0.091 29.377 29.460 0.013 0.000 1.637 47 W HN 0.490 nan 8.180 nan 0.000 0.417 48 V N 5.143 125.197 119.914 0.232 0.000 2.324 48 V HA -0.417 3.702 4.120 -0.001 0.000 0.250 48 V C 2.213 178.242 176.094 -0.109 0.000 1.060 48 V CA 2.427 64.738 62.300 0.018 0.000 1.042 48 V CB -0.481 31.364 31.823 0.037 0.000 0.650 48 V HN 0.532 nan 8.190 nan 0.000 0.450 49 N N -0.309 118.317 118.700 -0.122 0.000 2.331 49 N HA -0.153 4.586 4.740 -0.001 0.000 0.180 49 N C 1.885 177.090 175.510 -0.507 0.000 1.019 49 N CA 1.063 53.965 53.050 -0.246 0.000 0.881 49 N CB -0.273 38.153 38.487 -0.102 0.000 0.972 49 N HN 0.484 nan 8.380 nan 0.000 0.435 50 Q N 1.229 120.439 119.800 -0.984 0.000 2.083 50 Q HA 0.137 4.476 4.340 -0.001 0.000 0.198 50 Q C 1.810 177.573 176.000 -0.395 0.000 0.969 50 Q CA 1.479 56.723 55.803 -0.931 0.000 0.838 50 Q CB -0.460 27.488 28.738 -1.316 0.000 0.900 50 Q HN 0.320 nan 8.270 nan 0.000 0.436 51 A N 0.212 122.870 122.820 -0.270 0.000 2.015 51 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 51 A C 1.934 179.467 177.584 -0.085 0.000 1.163 51 A CA 1.315 53.273 52.037 -0.131 0.000 0.646 51 A CB -0.324 18.602 19.000 -0.124 0.000 0.806 51 A HN 0.324 nan 8.150 nan 0.000 0.448 52 K N -0.483 119.839 120.400 -0.129 0.000 2.057 52 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 52 K C 2.329 178.947 176.600 0.030 0.000 1.050 52 K CA 1.210 57.457 56.287 -0.066 0.000 0.935 52 K CB -0.170 32.258 32.500 -0.120 0.000 0.715 52 K HN 0.406 nan 8.250 nan 0.000 0.439 53 R N 1.057 121.533 120.500 -0.039 0.000 2.088 53 R HA -0.147 4.192 4.340 -0.001 0.000 0.232 53 R C 1.942 178.308 176.300 0.110 0.000 1.136 53 R CA 1.857 57.974 56.100 0.029 0.000 0.926 53 R CB -0.482 29.773 30.300 -0.075 0.000 0.837 53 R HN 0.219 nan 8.270 nan 0.000 0.429 54 D N -0.300 120.125 120.400 0.042 0.000 2.149 54 D HA -0.220 4.419 4.640 -0.001 0.000 0.194 54 D C 1.827 178.224 176.300 0.163 0.000 1.001 54 D CA 1.620 55.667 54.000 0.079 0.000 0.849 54 D CB -0.494 40.332 40.800 0.044 0.000 0.939 54 D HN 0.377 nan 8.370 nan 0.000 0.449 55 H N -0.443 118.698 119.070 0.118 0.000 2.321 55 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 55 H C 1.932 177.414 175.328 0.256 0.000 1.087 55 H CA 1.418 57.582 56.048 0.194 0.000 1.319 55 H CB -0.583 29.259 29.762 0.133 0.000 1.379 55 H HN 0.155 nan 8.280 nan 0.000 0.501 56 F N 0.321 120.328 119.950 0.094 0.000 2.202 56 F HA -0.198 4.329 4.527 -0.001 0.000 0.301 56 F C 2.098 177.891 175.800 -0.012 0.000 1.082 56 F CA 1.564 59.578 58.000 0.024 0.000 1.313 56 F CB 0.002 39.015 39.000 0.023 0.000 1.024 56 F HN 0.321 nan 8.300 nan 0.000 0.495 57 D N -0.140 120.245 120.400 -0.025 0.000 2.084 57 D HA -0.259 4.380 4.640 -0.001 0.000 0.196 57 D C 2.088 178.334 176.300 -0.091 0.000 0.985 57 D CA 1.509 55.445 54.000 -0.106 0.000 0.826 57 D CB -0.483 40.325 40.800 0.013 0.000 0.978 57 D HN 0.265 nan 8.370 nan 0.000 0.456 58 F N 1.034 120.888 119.950 -0.160 0.000 2.043 58 F HA -0.238 4.289 4.527 -0.001 0.000 0.297 58 F C 2.205 177.875 175.800 -0.218 0.000 1.121 58 F CA 1.422 59.322 58.000 -0.166 0.000 1.199 58 F CB -0.929 37.965 39.000 -0.176 0.000 0.968 58 F HN -0.066 nan 8.300 nan 0.000 0.478 59 V N -0.083 119.572 119.914 -0.432 0.000 2.250 59 V HA -0.404 3.715 4.120 -0.001 0.000 0.250 59 V C 2.484 178.329 176.094 -0.416 0.000 1.060 59 V CA 2.639 64.654 62.300 -0.475 0.000 1.030 59 V CB -1.257 30.416 31.823 -0.250 0.000 0.643 59 V HN 0.511 nan 8.190 nan 0.000 0.445 60 T N -1.172 113.112 114.554 -0.451 0.000 2.833 60 T HA -0.190 4.159 4.350 -0.001 0.000 0.269 60 T C 1.856 176.383 174.700 -0.288 0.000 1.054 60 T CA 1.358 63.209 62.100 -0.414 0.000 1.135 60 T CB -0.207 68.308 68.868 -0.587 0.000 0.869 60 T HN 0.466 nan 8.240 nan 0.000 0.466 61 K N 0.239 120.481 120.400 -0.263 0.000 2.283 61 K HA 0.123 4.443 4.320 -0.001 0.000 0.202 61 K C 2.105 178.584 176.600 -0.202 0.000 1.048 61 K CA 0.863 57.038 56.287 -0.186 0.000 0.948 61 K CB -0.022 32.407 32.500 -0.118 0.000 0.742 61 K HN 0.391 nan 8.250 nan 0.000 0.458 62 M N -0.592 118.835 119.600 -0.288 0.000 2.357 62 M HA -0.021 4.458 4.480 -0.001 0.000 0.266 62 M C 1.947 178.135 176.300 -0.187 0.000 1.095 62 M CA 1.124 56.270 55.300 -0.256 0.000 1.156 62 M CB -0.019 32.361 32.600 -0.367 0.000 1.365 62 M HN 0.021 nan 8.290 nan 0.000 0.447 63 R N 0.276 120.660 120.500 -0.193 0.000 2.081 63 R HA -0.158 4.182 4.340 -0.001 0.000 0.235 63 R C 2.052 178.283 176.300 -0.115 0.000 1.131 63 R CA 1.279 57.295 56.100 -0.140 0.000 0.960 63 R CB -0.267 29.951 30.300 -0.136 0.000 0.856 63 R HN 0.200 nan 8.270 nan 0.000 0.436 64 E N 1.030 121.154 120.200 -0.127 0.000 2.097 64 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 64 E C 1.376 177.927 176.600 -0.082 0.000 1.000 64 E CA 1.514 57.855 56.400 -0.099 0.000 0.804 64 E CB 0.035 29.672 29.700 -0.105 0.000 0.740 64 E HN 0.149 nan 8.360 nan 0.000 0.454 65 R N -1.520 118.926 120.500 -0.089 0.000 2.319 65 R HA 0.148 4.488 4.340 -0.001 0.000 0.204 65 R C 1.066 177.327 176.300 -0.066 0.000 0.954 65 R CA 0.548 56.605 56.100 -0.071 0.000 1.066 65 R CB 0.217 30.474 30.300 -0.071 0.000 0.991 65 R HN 0.353 nan 8.270 nan 0.000 0.486 66 G N 1.100 109.858 108.800 -0.070 0.000 2.213 66 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.236 66 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.236 66 G C 0.307 175.167 174.900 -0.067 0.000 0.991 66 G CA -0.385 44.679 45.100 -0.061 0.000 0.629 66 G HN 0.238 nan 8.290 nan 0.000 0.517 67 I N 1.888 122.409 120.570 -0.081 0.000 2.618 67 I HA 0.216 4.385 4.170 -0.001 0.000 0.284 67 I C 0.520 176.584 176.117 -0.089 0.000 1.146 67 I CA -0.242 61.006 61.300 -0.087 0.000 1.425 67 I CB 0.605 38.541 38.000 -0.106 0.000 1.383 67 I HN 0.119 nan 8.210 nan 0.000 0.562 68 D N 6.275 126.626 120.400 -0.081 0.000 2.351 68 D HA 0.258 4.897 4.640 -0.001 0.000 0.251 68 D C -0.894 175.357 176.300 -0.082 0.000 1.137 68 D CA -0.016 53.939 54.000 -0.076 0.000 0.879 68 D CB 1.127 41.881 40.800 -0.076 0.000 1.181 68 D HN 0.102 nan 8.370 nan 0.000 0.448 69 V N 5.506 125.376 119.914 -0.072 0.000 2.376 69 V HA 0.275 4.394 4.120 -0.001 0.000 0.287 69 V C 0.029 176.111 176.094 -0.020 0.000 1.015 69 V CA -0.765 61.495 62.300 -0.066 0.000 0.834 69 V CB 1.159 32.917 31.823 -0.107 0.000 1.001 69 V HN 0.469 nan 8.190 nan 0.000 0.428 70 L N 3.893 125.115 121.223 -0.002 0.000 2.292 70 L HA 0.575 4.915 4.340 -0.001 0.000 0.284 70 L C 0.191 177.100 176.870 0.065 0.000 1.065 70 L CA -0.354 54.503 54.840 0.028 0.000 0.806 70 L CB 1.385 43.460 42.059 0.026 0.000 1.175 70 L HN 0.635 nan 8.230 nan 0.000 0.431 71 E N 3.014 123.265 120.200 0.085 0.000 2.197 71 E HA 0.142 4.491 4.350 -0.001 0.000 0.281 71 E C 0.654 177.304 176.600 0.085 0.000 0.995 71 E CA -0.387 56.087 56.400 0.125 0.000 0.808 71 E CB 1.543 31.341 29.700 0.163 0.000 1.093 71 E HN 0.592 nan 8.360 nan 0.000 0.394 72 M N 4.172 123.801 119.600 0.048 0.000 2.108 72 M HA -0.230 4.249 4.480 -0.001 0.000 0.261 72 M C 0.795 177.061 176.300 -0.056 0.000 1.066 72 M CA 1.955 57.229 55.300 -0.043 0.000 1.107 72 M CB -0.183 32.343 32.600 -0.124 0.000 1.356 72 M HN 0.844 nan 8.290 nan 0.000 0.406 73 H N 0.130 119.205 119.070 0.008 0.000 2.321 73 H HA -0.118 4.438 4.556 -0.001 0.000 0.300 73 H C 1.908 177.247 175.328 0.017 0.000 1.087 73 H CA 2.112 58.161 56.048 0.001 0.000 1.319 73 H CB -0.288 29.466 29.762 -0.014 0.000 1.379 73 H HN 0.458 nan 8.280 nan 0.000 0.501 74 N N 0.545 119.340 118.700 0.158 0.000 2.007 74 N HA -0.162 4.578 4.740 -0.001 0.000 0.197 74 N C 1.972 177.550 175.510 0.113 0.000 1.050 74 N CA 1.256 54.375 53.050 0.114 0.000 0.856 74 N CB -0.702 37.846 38.487 0.101 0.000 1.050 74 N HN 0.238 nan 8.380 nan 0.000 0.423 75 L N 0.660 121.931 121.223 0.079 0.000 2.081 75 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 75 L C 2.427 179.375 176.870 0.129 0.000 1.080 75 L CA 0.850 55.727 54.840 0.062 0.000 0.754 75 L CB -0.444 41.562 42.059 -0.088 0.000 0.893 75 L HN 0.250 nan 8.230 nan 0.000 0.433 76 L N -0.693 120.570 121.223 0.066 0.000 2.017 76 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 76 L C 2.601 179.525 176.870 0.089 0.000 1.073 76 L CA 1.912 56.788 54.840 0.060 0.000 0.745 76 L CB -0.429 41.632 42.059 0.004 0.000 0.894 76 L HN 0.322 nan 8.230 nan 0.000 0.432 77 T N -0.117 114.490 114.554 0.089 0.000 2.607 77 T HA -0.264 4.086 4.350 -0.001 0.000 0.267 77 T C 1.597 176.349 174.700 0.087 0.000 1.049 77 T CA 2.017 64.163 62.100 0.077 0.000 1.162 77 T CB -0.321 68.589 68.868 0.070 0.000 0.863 77 T HN 0.442 nan 8.240 nan 0.000 0.424 78 E N 0.504 120.780 120.200 0.128 0.000 2.085 78 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 78 E C 2.495 179.161 176.600 0.109 0.000 0.994 78 E CA 1.493 57.962 56.400 0.115 0.000 0.801 78 E CB -0.378 29.415 29.700 0.155 0.000 0.743 78 E HN 0.389 nan 8.360 nan 0.000 0.453 79 T N 1.513 116.177 114.554 0.184 0.000 2.652 79 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 79 T C 1.749 176.490 174.700 0.068 0.000 1.039 79 T CA 0.999 63.197 62.100 0.164 0.000 1.153 79 T CB -0.146 68.847 68.868 0.208 0.000 0.863 79 T HN 0.067 nan 8.240 nan 0.000 0.428 80 I N 1.649 122.252 120.570 0.054 0.000 2.530 80 I HA -0.132 4.038 4.170 -0.001 0.000 0.257 80 I C 2.340 178.454 176.117 -0.006 0.000 1.179 80 I CA 1.183 62.492 61.300 0.016 0.000 1.440 80 I CB -1.271 36.741 38.000 0.022 0.000 1.087 80 I HN 0.422 nan 8.210 nan 0.000 0.440 81 Q N 0.076 119.879 119.800 0.005 0.000 2.297 81 Q HA -0.111 4.228 4.340 -0.001 0.000 0.204 81 Q C 0.872 176.860 176.000 -0.020 0.000 0.962 81 Q CA 0.286 56.085 55.803 -0.007 0.000 0.879 81 Q CB -0.119 28.620 28.738 0.002 0.000 0.947 81 Q HN 0.368 nan 8.270 nan 0.000 0.462 82 N N 1.143 119.827 118.700 -0.028 0.000 2.402 82 N HA 0.050 4.789 4.740 -0.001 0.000 0.252 82 N C -2.191 173.266 175.510 -0.090 0.000 1.118 82 N CA -1.898 51.123 53.050 -0.047 0.000 0.945 82 N CB 1.306 39.771 38.487 -0.035 0.000 1.147 82 N HN -0.179 nan 8.380 nan 0.000 0.495 83 P HA -0.186 nan 4.420 nan 0.000 0.217 83 P C 0.941 178.172 177.300 -0.115 0.000 1.151 83 P CA 1.178 64.235 63.100 -0.072 0.000 0.849 83 P CB 0.357 32.032 31.700 -0.043 0.000 0.787 84 E N -0.642 119.463 120.200 -0.159 0.000 2.051 84 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 84 E C 1.961 178.278 176.600 -0.473 0.000 0.991 84 E CA 1.268 57.532 56.400 -0.227 0.000 0.799 84 E CB -0.440 29.151 29.700 -0.181 0.000 0.748 84 E HN 0.099 nan 8.360 nan 0.000 0.449 85 A N 1.383 123.743 122.820 -0.767 0.000 1.930 85 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 85 A C 2.196 179.644 177.584 -0.226 0.000 1.175 85 A CA 0.775 52.250 52.037 -0.936 0.000 0.627 85 A CB -0.601 17.970 19.000 -0.715 0.000 0.815 85 A HN 0.375 nan 8.150 nan 0.000 0.443 86 L N -0.378 120.768 121.223 -0.130 0.000 1.989 86 L HA -0.221 4.118 4.340 -0.001 0.000 0.211 86 L C 2.623 179.495 176.870 0.003 0.000 1.071 86 L CA 2.424 57.247 54.840 -0.029 0.000 0.749 86 L CB -0.419 41.618 42.059 -0.038 0.000 0.890 86 L HN 0.527 nan 8.230 nan 0.000 0.431 87 K N -0.803 119.585 120.400 -0.021 0.000 2.103 87 K HA -0.296 4.023 4.320 -0.001 0.000 0.207 87 K C 2.014 178.646 176.600 0.053 0.000 1.048 87 K CA 2.116 58.406 56.287 0.005 0.000 0.930 87 K CB -0.471 32.027 32.500 -0.003 0.000 0.716 87 K HN 0.453 nan 8.250 nan 0.000 0.444 88 W N 1.233 122.471 121.300 -0.103 0.000 2.374 88 W HA -0.135 4.525 4.660 -0.001 0.000 0.288 88 W C 1.479 178.012 176.519 0.022 0.000 1.218 88 W CA 1.347 58.688 57.345 -0.007 0.000 1.245 88 W CB -0.000 29.494 29.460 0.058 0.000 1.126 88 W HN 0.025 nan 8.180 nan 0.000 0.545 89 I N -0.211 120.475 120.570 0.194 0.000 2.206 89 I HA -0.278 3.891 4.170 -0.001 0.000 0.239 89 I C 2.372 178.458 176.117 -0.051 0.000 1.078 89 I CA 1.128 62.470 61.300 0.070 0.000 1.367 89 I CB -0.809 37.288 38.000 0.161 0.000 1.078 89 I HN -0.137 nan 8.210 nan 0.000 0.413 90 L N 0.398 121.611 121.223 -0.017 0.000 2.081 90 L HA -0.273 4.067 4.340 -0.001 0.000 0.212 90 L C 2.019 178.851 176.870 -0.063 0.000 1.080 90 L CA 1.182 56.004 54.840 -0.030 0.000 0.754 90 L CB -0.853 41.197 42.059 -0.016 0.000 0.893 90 L HN 0.299 nan 8.230 nan 0.000 0.433 91 D N -0.004 120.341 120.400 -0.092 0.000 2.182 91 D HA -0.146 4.493 4.640 -0.001 0.000 0.201 91 D C 2.365 178.571 176.300 -0.156 0.000 0.986 91 D CA 1.167 55.098 54.000 -0.116 0.000 0.847 91 D CB 0.026 40.744 40.800 -0.136 0.000 0.942 91 D HN 0.364 nan 8.370 nan 0.000 0.467 92 R N -0.249 120.120 120.500 -0.217 0.000 2.146 92 R HA 0.141 4.481 4.340 -0.001 0.000 0.206 92 R C 2.137 178.362 176.300 -0.125 0.000 1.049 92 R CA 0.242 56.207 56.100 -0.224 0.000 1.029 92 R CB 0.280 30.341 30.300 -0.398 0.000 0.949 92 R HN -0.000 nan 8.270 nan 0.000 0.471 93 K N 0.716 121.061 120.400 -0.091 0.000 2.098 93 K HA 0.053 4.373 4.320 -0.001 0.000 0.203 93 K C -0.067 176.519 176.600 -0.023 0.000 1.051 93 K CA 0.719 56.981 56.287 -0.042 0.000 0.957 93 K CB 0.318 32.806 32.500 -0.020 0.000 0.738 93 K HN -0.070 nan 8.250 nan 0.000 0.447 94 I N 2.383 122.940 120.570 -0.022 0.000 2.276 94 I HA 0.059 4.228 4.170 -0.001 0.000 0.290 94 I C 0.026 176.135 176.117 -0.014 0.000 1.109 94 I CA -0.108 61.188 61.300 -0.006 0.000 1.229 94 I CB 0.962 38.965 38.000 0.005 0.000 1.452 94 I HN 0.127 nan 8.210 nan 0.000 0.497 95 T N 1.286 115.833 114.554 -0.011 0.000 2.831 95 T HA 0.739 5.088 4.350 -0.001 0.000 0.287 95 T C 1.033 175.731 174.700 -0.003 0.000 1.070 95 T CA -0.226 61.866 62.100 -0.014 0.000 1.010 95 T CB 1.527 70.381 68.868 -0.024 0.000 1.264 95 T HN 0.237 nan 8.240 nan 0.000 0.532 96 A N 0.431 123.249 122.820 -0.003 0.000 1.930 96 A HA -0.016 4.304 4.320 -0.001 0.000 0.217 96 A C 1.899 179.485 177.584 0.004 0.000 1.175 96 A CA 1.737 53.776 52.037 0.003 0.000 0.627 96 A CB -1.146 17.854 19.000 0.001 0.000 0.815 96 A HN 0.880 nan 8.150 nan 0.000 0.443 97 D N 0.101 120.499 120.400 -0.002 0.000 2.144 97 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 97 D C 2.453 178.755 176.300 0.003 0.000 0.984 97 D CA 1.888 55.887 54.000 -0.002 0.000 0.834 97 D CB -0.235 40.560 40.800 -0.007 0.000 0.955 97 D HN 0.609 nan 8.370 nan 0.000 0.465 98 S N -0.583 115.120 115.700 0.004 0.000 2.406 98 S HA -0.005 4.464 4.470 -0.001 0.000 0.224 98 S C 1.925 176.539 174.600 0.024 0.000 1.030 98 S CA 0.433 58.640 58.200 0.012 0.000 0.958 98 S CB 0.129 63.334 63.200 0.007 0.000 0.811 98 S HN 0.091 nan 8.310 nan 0.000 0.489 99 V N 0.530 120.459 119.914 0.025 0.000 3.572 99 V HA 0.516 4.635 4.120 -0.001 0.000 0.260 99 V C 1.030 177.147 176.094 0.038 0.000 1.324 99 V CA 0.351 62.673 62.300 0.036 0.000 1.068 99 V CB -0.306 31.538 31.823 0.035 0.000 0.837 99 V HN 0.875 nan 8.190 nan 0.000 0.450 100 G N 1.143 109.960 108.800 0.029 0.000 2.784 100 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.686 100 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.686 100 G C -0.057 174.859 174.900 0.026 0.000 1.156 100 G CA -0.285 44.834 45.100 0.032 0.000 0.757 100 G HN 0.514 nan 8.290 nan 0.000 0.642 101 L N 0.329 121.566 121.223 0.023 0.000 2.191 101 L HA 0.296 4.636 4.340 -0.001 0.000 0.212 101 L C 2.484 179.364 176.870 0.016 0.000 1.103 101 L CA 2.727 57.577 54.840 0.016 0.000 0.769 101 L CB -0.950 41.117 42.059 0.013 0.000 0.908 101 L HN 1.119 nan 8.230 nan 0.000 0.438 102 G N -0.117 108.696 108.800 0.022 0.000 2.650 102 G HA2 0.091 4.051 3.960 -0.001 0.000 0.214 102 G HA3 0.091 4.051 3.960 -0.001 0.000 0.214 102 G C 1.352 176.257 174.900 0.008 0.000 1.136 102 G CA 0.748 45.856 45.100 0.013 0.000 0.789 102 G HN 0.484 nan 8.290 nan 0.000 0.536 103 L N 0.497 121.730 121.223 0.016 0.000 2.781 103 L HA 0.128 4.467 4.340 -0.001 0.000 0.245 103 L C 2.850 179.732 176.870 0.020 0.000 1.118 103 L CA 0.776 55.624 54.840 0.014 0.000 0.918 103 L CB -0.506 41.564 42.059 0.019 0.000 1.246 103 L HN 0.195 nan 8.230 nan 0.000 0.526 104 T N -1.394 113.172 114.554 0.020 0.000 2.536 104 T HA -0.272 4.078 4.350 -0.001 0.000 0.263 104 T C 1.995 176.710 174.700 0.025 0.000 1.115 104 T CA 2.116 64.228 62.100 0.020 0.000 1.180 104 T CB -0.839 68.036 68.868 0.012 0.000 0.864 104 T HN 0.247 nan 8.240 nan 0.000 0.419 105 S N 1.699 117.412 115.700 0.020 0.000 2.378 105 S HA -0.214 4.255 4.470 -0.001 0.000 0.221 105 S C 2.066 176.691 174.600 0.042 0.000 1.037 105 S CA 1.801 60.016 58.200 0.025 0.000 1.069 105 S CB -0.812 62.398 63.200 0.017 0.000 1.006 105 S HN 0.819 nan 8.310 nan 0.000 0.423 106 E N 0.955 121.176 120.200 0.035 0.000 2.086 106 E HA -0.216 4.133 4.350 -0.001 0.000 0.200 106 E C 2.063 178.721 176.600 0.097 0.000 1.012 106 E CA 1.265 57.692 56.400 0.045 0.000 0.812 106 E CB -0.287 29.415 29.700 0.002 0.000 0.743 106 E HN 0.388 nan 8.360 nan 0.000 0.453 107 L N 0.674 121.948 121.223 0.084 0.000 1.994 107 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 107 L C 2.788 179.762 176.870 0.172 0.000 1.071 107 L CA 2.136 57.060 54.840 0.141 0.000 0.745 107 L CB -0.532 41.580 42.059 0.087 0.000 0.892 107 L HN 0.246 nan 8.230 nan 0.000 0.431 108 R N -0.391 120.166 120.500 0.094 0.000 2.075 108 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 108 R C 2.491 178.823 176.300 0.053 0.000 1.126 108 R CA 1.793 57.928 56.100 0.058 0.000 0.963 108 R CB -0.028 30.290 30.300 0.030 0.000 0.858 108 R HN 0.563 nan 8.270 nan 0.000 0.435 109 S N -0.237 115.508 115.700 0.075 0.000 2.356 109 S HA -0.198 4.272 4.470 -0.001 0.000 0.223 109 S C 1.638 176.294 174.600 0.093 0.000 1.032 109 S CA 1.000 59.241 58.200 0.068 0.000 1.005 109 S CB -0.898 62.346 63.200 0.073 0.000 0.867 109 S HN 0.590 nan 8.310 nan 0.000 0.449 110 W N 2.611 123.894 121.300 -0.029 0.000 2.333 110 W HA -0.047 4.613 4.660 -0.001 0.000 0.316 110 W C 1.874 178.370 176.519 -0.037 0.000 1.215 110 W CA 1.092 58.414 57.345 -0.039 0.000 1.278 110 W CB -0.873 28.550 29.460 -0.062 0.000 1.154 110 W HN 0.238 nan 8.180 nan 0.000 0.486 111 L N 0.468 121.537 121.223 -0.256 0.000 2.043 111 L HA -0.283 4.056 4.340 -0.001 0.000 0.212 111 L C 2.426 179.115 176.870 -0.302 0.000 1.075 111 L CA 2.196 56.781 54.840 -0.425 0.000 0.752 111 L CB -0.952 41.013 42.059 -0.158 0.000 0.891 111 L HN 0.037 nan 8.230 nan 0.000 0.432 112 E N -0.751 119.354 120.200 -0.157 0.000 2.204 112 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 112 E C 2.239 178.770 176.600 -0.116 0.000 0.989 112 E CA 1.156 57.493 56.400 -0.106 0.000 0.824 112 E CB -0.022 29.649 29.700 -0.049 0.000 0.756 112 E HN 0.508 nan 8.360 nan 0.000 0.477 113 S N 0.212 115.823 115.700 -0.148 0.000 2.481 113 S HA -0.038 4.432 4.470 -0.001 0.000 0.231 113 S C 0.987 175.504 174.600 -0.138 0.000 0.996 113 S CA 0.043 58.178 58.200 -0.108 0.000 0.942 113 S CB -0.256 62.908 63.200 -0.059 0.000 0.768 113 S HN 0.045 nan 8.310 nan 0.000 0.520 114 L N 1.290 122.374 121.223 -0.232 0.000 2.475 114 L HA 0.372 4.712 4.340 -0.001 0.000 0.250 114 L C 0.689 177.501 176.870 -0.097 0.000 1.224 114 L CA -0.625 54.102 54.840 -0.189 0.000 0.821 114 L CB 0.153 42.040 42.059 -0.287 0.000 1.141 114 L HN 0.187 nan 8.230 nan 0.000 0.494 115 E N 0.780 120.941 120.200 -0.064 0.000 2.283 115 E HA 0.159 4.509 4.350 -0.001 0.000 0.278 115 E C -1.664 174.915 176.600 -0.035 0.000 1.027 115 E CA -1.909 54.468 56.400 -0.038 0.000 0.843 115 E CB 1.261 30.947 29.700 -0.025 0.000 1.062 115 E HN 0.258 nan 8.360 nan 0.000 0.401 116 P HA -0.251 nan 4.420 nan 0.000 0.218 116 P C 1.367 178.665 177.300 -0.003 0.000 1.165 116 P CA 1.449 64.543 63.100 -0.010 0.000 0.922 116 P CB 0.285 31.984 31.700 -0.002 0.000 0.794 117 R N 0.045 120.541 120.500 -0.007 0.000 2.088 117 R HA -0.169 4.170 4.340 -0.001 0.000 0.232 117 R C 2.176 178.459 176.300 -0.029 0.000 1.136 117 R CA 1.969 58.063 56.100 -0.010 0.000 0.926 117 R CB -1.319 28.966 30.300 -0.026 0.000 0.837 117 R HN 0.008 nan 8.270 nan 0.000 0.429 118 K N 0.966 121.336 120.400 -0.050 0.000 2.034 118 K HA -0.121 4.198 4.320 -0.001 0.000 0.214 118 K C 2.139 178.711 176.600 -0.048 0.000 1.051 118 K CA 1.489 57.724 56.287 -0.085 0.000 0.931 118 K CB -0.863 31.609 32.500 -0.047 0.000 0.715 118 K HN 0.214 nan 8.250 nan 0.000 0.446 119 L N -0.266 120.955 121.223 -0.002 0.000 2.127 119 L HA -0.202 4.138 4.340 -0.001 0.000 0.211 119 L C 2.068 178.968 176.870 0.050 0.000 1.089 119 L CA 1.829 56.685 54.840 0.027 0.000 0.757 119 L CB -0.590 41.448 42.059 -0.036 0.000 0.899 119 L HN 0.376 nan 8.230 nan 0.000 0.434 120 A N -0.409 122.430 122.820 0.031 0.000 1.898 120 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 120 A C 2.000 179.631 177.584 0.078 0.000 1.181 120 A CA 1.555 53.625 52.037 0.055 0.000 0.620 120 A CB -0.460 18.585 19.000 0.074 0.000 0.819 120 A HN 0.527 nan 8.150 nan 0.000 0.442 121 E N -1.293 118.929 120.200 0.037 0.000 2.070 121 E HA -0.236 4.113 4.350 -0.001 0.000 0.197 121 E C 1.804 178.378 176.600 -0.045 0.000 1.004 121 E CA 1.752 58.139 56.400 -0.022 0.000 0.805 121 E CB -0.314 29.238 29.700 -0.246 0.000 0.744 121 E HN 0.759 nan 8.360 nan 0.000 0.451 122 Y N 0.411 120.717 120.300 0.010 0.000 2.242 122 Y HA -0.130 4.420 4.550 -0.001 0.000 0.291 122 Y C 2.080 177.974 175.900 -0.009 0.000 1.137 122 Y CA 0.792 58.894 58.100 0.003 0.000 1.181 122 Y CB -0.283 38.168 38.460 -0.016 0.000 0.989 122 Y HN 0.040 nan 8.280 nan 0.000 0.527 123 L N -0.800 120.505 121.223 0.137 0.000 2.083 123 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 123 L C 2.059 178.942 176.870 0.021 0.000 1.083 123 L CA 1.320 56.200 54.840 0.066 0.000 0.752 123 L CB -0.444 41.639 42.059 0.041 0.000 0.899 123 L HN 0.238 nan 8.230 nan 0.000 0.433 124 I N -0.877 119.693 120.570 0.000 0.000 2.703 124 I HA -0.045 4.124 4.170 -0.001 0.000 0.259 124 I C 2.150 178.237 176.117 -0.050 0.000 1.151 124 I CA 1.025 62.291 61.300 -0.057 0.000 1.470 124 I CB -0.403 37.509 38.000 -0.146 0.000 1.112 124 I HN 0.225 nan 8.210 nan 0.000 0.437 125 G N 0.523 109.318 108.800 -0.009 0.000 3.088 125 G HA2 0.393 4.353 3.960 -0.001 0.000 0.217 125 G HA3 0.393 4.353 3.960 -0.001 0.000 0.217 125 G C 0.835 175.695 174.900 -0.067 0.000 1.159 125 G CA 0.386 45.457 45.100 -0.049 0.000 0.760 125 G HN 0.504 nan 8.290 nan 0.000 0.550 126 G N -1.228 107.560 108.800 -0.020 0.000 2.819 126 G HA2 0.025 3.984 3.960 -0.001 0.000 0.682 126 G HA3 0.025 3.984 3.960 -0.001 0.000 0.682 126 G C -0.716 174.229 174.900 0.075 0.000 1.481 126 G CA -0.346 44.717 45.100 -0.062 0.000 0.904 126 G HN 0.876 nan 8.290 nan 0.000 0.563 127 V N 1.026 120.971 119.914 0.052 0.000 2.656 127 V HA 0.818 4.938 4.120 -0.001 0.000 0.307 127 V C 0.791 176.959 176.094 0.122 0.000 1.051 127 V CA -0.078 62.284 62.300 0.103 0.000 0.893 127 V CB 1.519 33.390 31.823 0.080 0.000 0.999 127 V HN 2.073 nan 8.190 nan 0.000 0.426 128 A N 2.940 125.853 122.820 0.155 0.000 2.295 128 A HA 0.806 5.125 4.320 -0.001 0.000 0.318 128 A C 1.313 178.934 177.584 0.061 0.000 1.134 128 A CA 0.144 52.316 52.037 0.226 0.000 0.827 128 A CB 1.305 20.462 19.000 0.260 0.000 1.136 128 A HN 1.379 nan 8.150 nan 0.000 0.493 129 A N 0.720 123.572 122.820 0.054 0.000 1.986 129 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 129 A C 1.458 178.988 177.584 -0.090 0.000 1.171 129 A CA 2.115 54.131 52.037 -0.035 0.000 0.640 129 A CB -0.632 18.356 19.000 -0.020 0.000 0.811 129 A HN 0.851 nan 8.150 nan 0.000 0.451 130 D N 0.396 120.775 120.400 -0.035 0.000 2.117 130 D HA -0.147 4.492 4.640 -0.001 0.000 0.197 130 D C 0.950 177.198 176.300 -0.086 0.000 0.987 130 D CA 1.543 55.520 54.000 -0.039 0.000 0.829 130 D CB -0.396 40.418 40.800 0.023 0.000 0.961 130 D HN 0.492 nan 8.370 nan 0.000 0.460 131 D N 0.774 121.116 120.400 -0.097 0.000 2.219 131 D HA -0.028 4.611 4.640 -0.001 0.000 0.205 131 D C 1.304 177.269 176.300 -0.559 0.000 0.970 131 D CA 0.127 54.033 54.000 -0.157 0.000 0.851 131 D CB 0.143 40.931 40.800 -0.020 0.000 0.943 131 D HN 0.231 nan 8.370 nan 0.000 0.488 132 L N 2.523 123.345 121.223 -0.668 0.000 2.483 132 L HA 0.084 4.424 4.340 -0.001 0.000 0.275 132 L C -1.697 174.794 176.870 -0.632 0.000 1.220 132 L CA -1.175 53.105 54.840 -0.934 0.000 0.833 132 L CB 0.249 41.973 42.059 -0.558 0.000 1.102 132 L HN -0.083 nan 8.230 nan 0.000 0.490 133 P HA 0.086 nan 4.420 nan 0.000 0.274 133 P C -0.912 176.261 177.300 -0.211 0.000 1.237 133 P CA -0.556 62.351 63.100 -0.322 0.000 0.793 133 P CB 0.784 32.339 31.700 -0.242 0.000 0.977 134 A N 2.113 124.856 122.820 -0.129 0.000 2.598 134 A HA 0.352 4.671 4.320 -0.001 0.000 0.239 134 A C 0.714 178.241 177.584 -0.095 0.000 1.032 134 A CA 1.237 53.215 52.037 -0.097 0.000 0.760 134 A CB -1.203 17.760 19.000 -0.062 0.000 0.946 134 A HN 0.881 nan 8.150 nan 0.000 0.512 135 S N 0.823 116.466 115.700 -0.093 0.000 2.701 135 S HA 0.276 4.745 4.470 -0.001 0.000 0.267 135 S C 0.257 174.805 174.600 -0.087 0.000 1.034 135 S CA 0.139 58.288 58.200 -0.085 0.000 0.867 135 S CB -0.065 63.080 63.200 -0.092 0.000 1.123 135 S HN 0.914 nan 8.310 nan 0.000 0.470 136 E N 1.010 121.163 120.200 -0.078 0.000 2.057 136 E HA 0.162 4.511 4.350 -0.001 0.000 0.190 136 E C 2.060 178.602 176.600 -0.097 0.000 0.969 136 E CA 0.649 56.998 56.400 -0.086 0.000 0.812 136 E CB -1.146 28.510 29.700 -0.073 0.000 0.777 136 E HN 0.829 nan 8.360 nan 0.000 0.455 137 G N 1.841 110.594 108.800 -0.078 0.000 2.545 137 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.222 137 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.222 137 G C 1.748 176.596 174.900 -0.086 0.000 1.126 137 G CA 1.708 46.766 45.100 -0.070 0.000 0.754 137 G HN 0.424 nan 8.290 nan 0.000 0.583 138 A N 1.524 124.286 122.820 -0.097 0.000 1.835 138 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 138 A C 2.318 179.830 177.584 -0.119 0.000 1.199 138 A CA 2.001 53.975 52.037 -0.105 0.000 0.615 138 A CB -0.695 18.228 19.000 -0.128 0.000 0.838 138 A HN 0.354 nan 8.150 nan 0.000 0.444 139 N N 0.557 119.180 118.700 -0.129 0.000 2.096 139 N HA -0.213 4.527 4.740 -0.001 0.000 0.195 139 N C 1.551 176.928 175.510 -0.221 0.000 1.017 139 N CA 1.947 54.906 53.050 -0.151 0.000 0.870 139 N CB -0.753 37.648 38.487 -0.142 0.000 1.024 139 N HN 0.633 nan 8.380 nan 0.000 0.434 140 I N 0.492 120.906 120.570 -0.260 0.000 2.423 140 I HA -0.238 3.932 4.170 -0.001 0.000 0.254 140 I C 2.019 177.784 176.117 -0.587 0.000 1.151 140 I CA 0.910 61.940 61.300 -0.451 0.000 1.421 140 I CB -0.213 37.558 38.000 -0.382 0.000 1.079 140 I HN 0.096 nan 8.210 nan 0.000 0.431 141 L N 0.012 121.082 121.223 -0.255 0.000 2.168 141 L HA -0.054 4.285 4.340 -0.001 0.000 0.203 141 L C 2.581 179.417 176.870 -0.056 0.000 1.078 141 L CA 0.657 55.464 54.840 -0.056 0.000 0.780 141 L CB -0.407 41.672 42.059 0.034 0.000 0.939 141 L HN 0.094 nan 8.230 nan 0.000 0.451 142 K N -0.008 120.334 120.400 -0.097 0.000 2.103 142 K HA -0.228 4.092 4.320 -0.001 0.000 0.207 142 K C 1.990 178.540 176.600 -0.083 0.000 1.048 142 K CA 1.629 57.876 56.287 -0.067 0.000 0.930 142 K CB -0.311 32.142 32.500 -0.078 0.000 0.716 142 K HN 0.311 nan 8.250 nan 0.000 0.444 143 M N -0.179 119.294 119.600 -0.212 0.000 2.077 143 M HA -0.191 4.288 4.480 -0.001 0.000 0.261 143 M C 1.757 177.948 176.300 -0.181 0.000 1.070 143 M CA 1.658 56.766 55.300 -0.320 0.000 1.125 143 M CB -0.147 32.130 32.600 -0.537 0.000 1.339 143 M HN 0.002 nan 8.290 nan 0.000 0.409 144 Y N -0.098 120.116 120.300 -0.144 0.000 2.333 144 Y HA -0.143 4.406 4.550 -0.001 0.000 0.290 144 Y C 2.589 178.394 175.900 -0.158 0.000 1.144 144 Y CA 1.383 59.340 58.100 -0.238 0.000 1.228 144 Y CB -0.950 37.349 38.460 -0.268 0.000 0.985 144 Y HN 0.335 nan 8.280 nan 0.000 0.542 145 R N 0.412 120.985 120.500 0.121 0.000 2.075 145 R HA -0.138 4.202 4.340 -0.001 0.000 0.226 145 R C 1.700 178.053 176.300 0.089 0.000 1.114 145 R CA 1.435 57.596 56.100 0.102 0.000 0.972 145 R CB -0.038 30.295 30.300 0.055 0.000 0.869 145 R HN 0.103 nan 8.270 nan 0.000 0.437 146 E N -0.827 119.446 120.200 0.122 0.000 2.482 146 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 146 E C 0.214 176.997 176.600 0.305 0.000 1.047 146 E CA 0.795 57.310 56.400 0.192 0.000 0.869 146 E CB 0.202 30.044 29.700 0.236 0.000 0.836 146 E HN 0.401 nan 8.360 nan 0.000 0.520 147 Y N -1.969 118.306 120.300 -0.041 0.000 2.425 147 Y HA 0.332 4.882 4.550 -0.001 0.000 0.261 147 Y C 1.305 177.176 175.900 -0.049 0.000 1.084 147 Y CA -0.008 58.067 58.100 -0.041 0.000 1.248 147 Y CB 0.729 39.164 38.460 -0.042 0.000 1.270 147 Y HN -0.051 nan 8.280 nan 0.000 0.524 148 L N -2.230 119.031 121.223 0.063 0.000 2.803 148 L HA 0.412 4.752 4.340 -0.001 0.000 0.246 148 L C 1.399 178.297 176.870 0.047 0.000 1.100 148 L CA 0.696 55.527 54.840 -0.014 0.000 0.919 148 L CB 0.811 42.725 42.059 -0.242 0.000 1.285 148 L HN 0.192 nan 8.230 nan 0.000 0.522 149 G N -0.225 108.613 108.800 0.063 0.000 2.131 149 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.223 149 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.223 149 G C 0.161 175.140 174.900 0.131 0.000 0.990 149 G CA -0.327 44.818 45.100 0.076 0.000 0.671 149 G HN 0.425 nan 8.290 nan 0.000 0.521 150 H N 0.575 119.648 119.070 0.005 0.000 2.913 150 H HA 0.303 4.858 4.556 -0.001 0.000 0.365 150 H C 1.239 176.514 175.328 -0.088 0.000 1.155 150 H CA 0.594 56.628 56.048 -0.024 0.000 1.417 150 H CB 0.769 30.546 29.762 0.025 0.000 1.386 150 H HN 0.338 nan 8.280 nan 0.000 0.614 151 S N 1.176 116.832 115.700 -0.074 0.000 2.537 151 S HA -0.059 4.410 4.470 -0.001 0.000 0.286 151 S C 1.008 175.462 174.600 -0.245 0.000 1.299 151 S CA -0.275 57.769 58.200 -0.259 0.000 1.067 151 S CB 0.387 63.451 63.200 -0.226 0.000 0.864 151 S HN 0.697 nan 8.310 nan 0.000 0.494 152 S N 4.335 119.750 115.700 -0.476 0.000 2.743 152 S HA 0.283 4.752 4.470 -0.001 0.000 0.230 152 S C -0.370 174.209 174.600 -0.034 0.000 0.950 152 S CA -0.595 57.471 58.200 -0.224 0.000 0.976 152 S CB -0.628 62.474 63.200 -0.164 0.000 0.779 152 S HN 0.522 nan 8.310 nan 0.000 0.487 153 F N 1.332 121.306 119.950 0.040 0.000 2.405 153 F HA 0.511 5.038 4.527 -0.001 0.000 0.355 153 F C 0.973 176.791 175.800 0.030 0.000 1.121 153 F CA -2.237 55.783 58.000 0.032 0.000 1.112 153 F CB 0.716 39.731 39.000 0.026 0.000 1.126 153 F HN 0.036 nan 8.300 nan 0.000 0.481 154 L N 2.280 123.647 121.223 0.240 0.000 2.049 154 L HA 0.108 4.448 4.340 -0.001 0.000 0.203 154 L C 0.305 177.244 176.870 0.116 0.000 1.074 154 L CA 1.092 56.012 54.840 0.133 0.000 0.749 154 L CB 0.098 42.209 42.059 0.086 0.000 0.907 154 L HN 0.356 nan 8.230 nan 0.000 0.439 155 L N 1.566 122.849 121.223 0.100 0.000 2.353 155 L HA 0.342 4.681 4.340 -0.001 0.000 0.270 155 L C -2.254 174.604 176.870 -0.020 0.000 1.003 155 L CA -1.943 52.926 54.840 0.048 0.000 0.862 155 L CB 1.328 43.411 42.059 0.040 0.000 1.221 155 L HN -0.082 nan 8.230 nan 0.000 0.430 156 P HA 0.042 nan 4.420 nan 0.000 0.262 156 P C -2.509 174.691 177.300 -0.167 0.000 1.182 156 P CA -0.756 62.297 63.100 -0.078 0.000 0.761 156 P CB -0.036 31.687 31.700 0.039 0.000 0.795 157 P HA 0.134 nan 4.420 nan 0.000 0.271 157 P C -0.379 176.814 177.300 -0.178 0.000 1.218 157 P CA 0.064 62.999 63.100 -0.275 0.000 0.780 157 P CB 0.768 32.220 31.700 -0.413 0.000 0.901 158 L N 4.246 125.373 121.223 -0.160 0.000 2.709 158 L HA 0.279 4.619 4.340 -0.001 0.000 0.236 158 L C -1.171 175.582 176.870 -0.195 0.000 1.266 158 L CA -1.645 53.124 54.840 -0.118 0.000 0.987 158 L CB 0.960 42.979 42.059 -0.066 0.000 1.306 158 L HN 0.215 nan 8.230 nan 0.000 0.467 159 P HA -0.180 nan 4.420 nan 0.000 0.221 159 P C 0.596 177.792 177.300 -0.173 0.000 1.145 159 P CA 1.189 63.871 63.100 -0.697 0.000 0.795 159 P CB 0.223 31.346 31.700 -0.962 0.000 0.775 160 N N -0.174 118.594 118.700 0.114 0.000 2.575 160 N HA -0.031 4.709 4.740 -0.001 0.000 0.192 160 N C 1.287 176.897 175.510 0.166 0.000 1.200 160 N CA 1.098 54.332 53.050 0.306 0.000 0.897 160 N CB -0.328 38.366 38.487 0.345 0.000 0.990 160 N HN 0.366 nan 8.380 nan 0.000 0.449 161 T N -2.078 112.488 114.554 0.019 0.000 3.023 161 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 161 T C 1.693 176.360 174.700 -0.056 0.000 1.093 161 T CA 0.458 62.547 62.100 -0.018 0.000 1.129 161 T CB 0.035 68.852 68.868 -0.084 0.000 0.899 161 T HN 0.181 nan 8.240 nan 0.000 0.491 162 Q N 0.334 120.048 119.800 -0.144 0.000 2.234 162 Q HA -0.075 4.264 4.340 -0.001 0.000 0.206 162 Q C -0.361 175.407 176.000 -0.386 0.000 0.980 162 Q CA 0.909 56.519 55.803 -0.323 0.000 0.869 162 Q CB -0.173 28.296 28.738 -0.448 0.000 0.912 162 Q HN 0.596 nan 8.270 nan 0.000 0.436 163 F N 1.003 121.044 119.950 0.152 0.000 2.425 163 F HA 0.174 4.700 4.527 -0.001 0.000 0.354 163 F C 1.337 177.188 175.800 0.084 0.000 1.162 163 F CA -0.181 57.888 58.000 0.115 0.000 1.250 163 F CB 0.474 39.536 39.000 0.103 0.000 1.579 163 F HN -0.035 nan 8.300 nan 0.000 0.589 164 T N -2.323 112.356 114.554 0.208 0.000 2.929 164 T HA -0.222 4.128 4.350 -0.001 0.000 0.271 164 T C 2.174 176.959 174.700 0.141 0.000 1.085 164 T CA 1.090 63.276 62.100 0.143 0.000 1.125 164 T CB -0.131 68.816 68.868 0.131 0.000 0.874 164 T HN 0.412 nan 8.240 nan 0.000 0.494 165 R N 1.672 122.262 120.500 0.149 0.000 2.081 165 R HA 0.088 4.428 4.340 -0.001 0.000 0.235 165 R C 2.694 179.041 176.300 0.079 0.000 1.131 165 R CA 1.435 57.588 56.100 0.089 0.000 0.960 165 R CB -0.942 29.387 30.300 0.049 0.000 0.856 165 R HN 0.428 nan 8.270 nan 0.000 0.436 166 A N -0.361 122.511 122.820 0.086 0.000 1.892 166 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 166 A C 2.202 179.832 177.584 0.077 0.000 1.188 166 A CA 2.245 54.318 52.037 0.059 0.000 0.631 166 A CB -1.119 17.935 19.000 0.090 0.000 0.822 166 A HN 0.512 nan 8.150 nan 0.000 0.447 167 T N -0.802 113.804 114.554 0.086 0.000 2.737 167 T HA 0.043 4.392 4.350 -0.001 0.000 0.265 167 T C 1.096 175.831 174.700 0.060 0.000 1.038 167 T CA 1.613 63.752 62.100 0.066 0.000 1.144 167 T CB -0.416 68.476 68.868 0.040 0.000 0.866 167 T HN 0.825 nan 8.240 nan 0.000 0.434 168 T N -1.427 113.180 114.554 0.088 0.000 2.883 168 T HA 0.628 4.977 4.350 -0.001 0.000 0.296 168 T C -1.293 173.452 174.700 0.076 0.000 1.117 168 T CA -1.026 61.124 62.100 0.083 0.000 1.006 168 T CB 1.738 70.725 68.868 0.198 0.000 1.191 168 T HN 0.132 nan 8.240 nan 0.000 0.508 169 C N 1.509 120.785 119.300 -0.040 0.000 2.446 169 C HA 0.581 5.041 4.460 -0.001 0.000 0.329 169 C C -1.172 173.706 174.990 -0.186 0.000 1.166 169 C CA -1.009 58.002 59.018 -0.011 0.000 1.341 169 C CB 0.141 27.893 27.740 0.020 0.000 1.970 169 C HN 0.952 nan 8.230 nan 0.000 0.452 170 W N 4.214 125.496 121.300 -0.029 0.000 2.308 170 W HA 0.664 5.323 4.660 -0.001 0.000 0.311 170 W C -0.199 176.289 176.519 -0.052 0.000 1.088 170 W CA -0.462 56.846 57.345 -0.061 0.000 1.309 170 W CB 0.481 29.873 29.460 -0.114 0.000 1.229 170 W HN 0.419 nan 8.180 nan 0.000 0.427 171 I N 5.879 126.521 120.570 0.120 0.000 2.390 171 I HA 0.247 4.416 4.170 -0.001 0.000 0.283 171 I C -0.078 176.108 176.117 0.115 0.000 1.016 171 I CA -0.843 60.424 61.300 -0.055 0.000 1.151 171 I CB 0.181 38.156 38.000 -0.040 0.000 1.293 171 I HN 0.557 nan 8.210 nan 0.000 0.458 172 Y N 3.928 124.282 120.300 0.090 0.000 2.854 172 Y HA -0.362 4.187 4.550 -0.001 0.000 0.466 172 Y C 1.899 177.863 175.900 0.107 0.000 1.170 172 Y CA 1.016 59.098 58.100 -0.030 0.000 2.593 172 Y CB -1.159 37.410 38.460 0.181 0.000 1.203 172 Y HN 0.650 nan 8.280 nan 0.000 0.629 173 G N 1.239 110.372 108.800 0.556 0.000 3.574 173 G HA2 0.476 4.435 3.960 -0.001 0.000 0.262 173 G HA3 0.476 4.435 3.960 -0.001 0.000 0.262 173 G C 0.067 175.141 174.900 0.290 0.000 1.231 173 G CA 0.726 46.095 45.100 0.448 0.000 1.608 173 G HN 1.027 nan 8.290 nan 0.000 0.628 174 G N -1.780 107.128 108.800 0.181 0.000 2.506 174 G HA2 0.526 4.485 3.960 -0.001 0.000 0.292 174 G HA3 0.526 4.485 3.960 -0.001 0.000 0.292 174 G C -1.871 172.657 174.900 -0.621 0.000 1.425 174 G CA -0.192 44.614 45.100 -0.490 0.000 0.788 174 G HN 0.679 nan 8.290 nan 0.000 0.490 175 V N -0.455 118.836 119.914 -1.037 0.000 3.074 175 V HA 0.927 5.046 4.120 -0.001 0.000 0.314 175 V C -0.037 175.754 176.094 -0.504 0.000 1.117 175 V CA 0.138 61.763 62.300 -1.125 0.000 1.014 175 V CB 2.371 32.796 31.823 -2.329 0.000 1.057 175 V HN 1.518 nan 8.190 nan 0.000 0.438 176 T N 2.992 117.376 114.554 -0.283 0.000 2.888 176 T HA 0.635 4.985 4.350 -0.001 0.000 0.284 176 T C -0.438 174.228 174.700 -0.058 0.000 1.017 176 T CA -0.648 61.429 62.100 -0.038 0.000 1.022 176 T CB 1.413 70.345 68.868 0.108 0.000 1.013 176 T HN 0.569 nan 8.240 nan 0.000 0.465 177 L N 2.643 123.853 121.223 -0.021 0.000 2.589 177 L HA 0.327 4.667 4.340 -0.001 0.000 0.244 177 L C -0.158 176.688 176.870 -0.039 0.000 1.159 177 L CA -1.012 53.817 54.840 -0.019 0.000 1.074 177 L CB -0.504 41.548 42.059 -0.011 0.000 1.391 177 L HN 0.623 nan 8.230 nan 0.000 0.423 178 N N 2.785 121.489 118.700 0.008 0.000 2.142 178 N HA -0.048 4.691 4.740 -0.001 0.000 0.282 178 N C -2.329 173.154 175.510 -0.044 0.000 1.342 178 N CA -0.471 52.590 53.050 0.018 0.000 0.831 178 N CB -0.046 38.473 38.487 0.053 0.000 1.083 178 N HN 0.152 nan 8.380 nan 0.000 0.492 179 P HA 0.067 nan 4.420 nan 0.000 0.264 179 P C 0.060 177.351 177.300 -0.016 0.000 1.236 179 P CA 0.188 63.182 63.100 -0.177 0.000 0.811 179 P CB 0.375 31.860 31.700 -0.358 0.000 0.840 180 M N 3.378 122.995 119.600 0.029 0.000 2.250 180 M HA 0.096 4.575 4.480 -0.001 0.000 0.344 180 M C 1.449 177.798 176.300 0.082 0.000 1.150 180 M CA -0.364 54.994 55.300 0.096 0.000 1.147 180 M CB -0.074 32.609 32.600 0.137 0.000 1.498 180 M HN 0.395 nan 8.290 nan 0.000 0.461 181 Y N 2.353 122.643 120.300 -0.017 0.000 2.014 181 Y HA -0.182 4.367 4.550 -0.001 0.000 0.270 181 Y C 0.080 175.888 175.900 -0.154 0.000 1.145 181 Y CA 1.841 59.842 58.100 -0.165 0.000 1.106 181 Y CB -0.120 38.141 38.460 -0.331 0.000 0.968 181 Y HN 0.613 nan 8.280 nan 0.000 0.484 182 W N 2.146 123.592 121.300 0.244 0.000 2.485 182 W HA 0.186 4.846 4.660 -0.001 0.000 0.315 182 W C -1.491 175.064 176.519 0.059 0.000 1.304 182 W CA -1.937 55.495 57.345 0.144 0.000 1.345 182 W CB 0.166 29.753 29.460 0.211 0.000 1.368 182 W HN 0.116 nan 8.180 nan 0.000 0.497 183 P HA -0.385 nan 4.420 nan 0.000 0.220 183 P C 1.614 179.007 177.300 0.155 0.000 1.155 183 P CA 3.119 66.311 63.100 0.153 0.000 0.880 183 P CB 0.093 31.866 31.700 0.120 0.000 0.790 184 A N -0.244 122.687 122.820 0.185 0.000 1.892 184 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 184 A C 2.205 179.866 177.584 0.128 0.000 1.188 184 A CA 1.902 54.014 52.037 0.126 0.000 0.631 184 A CB -1.192 17.863 19.000 0.092 0.000 0.822 184 A HN 0.127 nan 8.150 nan 0.000 0.447 185 R N -0.768 119.846 120.500 0.190 0.000 2.241 185 R HA -0.051 4.288 4.340 -0.001 0.000 0.224 185 R C 2.034 178.409 176.300 0.125 0.000 1.101 185 R CA 0.973 57.175 56.100 0.170 0.000 0.995 185 R CB -0.235 30.211 30.300 0.243 0.000 0.870 185 R HN 0.532 nan 8.270 nan 0.000 0.463 186 R N 0.241 120.809 120.500 0.113 0.000 2.293 186 R HA -0.090 4.249 4.340 -0.001 0.000 0.219 186 R C 1.886 178.224 176.300 0.062 0.000 1.091 186 R CA 0.605 56.754 56.100 0.081 0.000 1.004 186 R CB -0.017 30.328 30.300 0.075 0.000 0.865 186 R HN 0.154 nan 8.270 nan 0.000 0.469 187 Q N 0.934 120.768 119.800 0.057 0.000 2.124 187 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 187 Q C 1.626 177.646 176.000 0.033 0.000 0.977 187 Q CA 1.458 57.284 55.803 0.038 0.000 0.850 187 Q CB 0.055 28.810 28.738 0.028 0.000 0.901 187 Q HN 0.502 nan 8.270 nan 0.000 0.429 188 E N -0.426 119.796 120.200 0.037 0.000 2.031 188 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 188 E C 1.969 178.576 176.600 0.012 0.000 0.994 188 E CA 1.639 58.051 56.400 0.021 0.000 0.800 188 E CB -0.049 29.676 29.700 0.043 0.000 0.752 188 E HN 0.302 nan 8.360 nan 0.000 0.447 189 T N 1.778 116.350 114.554 0.031 0.000 2.759 189 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 189 T C 1.836 176.563 174.700 0.043 0.000 1.042 189 T CA 0.981 63.094 62.100 0.022 0.000 1.140 189 T CB -0.235 68.656 68.868 0.039 0.000 0.864 189 T HN 0.039 nan 8.240 nan 0.000 0.455 190 L N 1.037 122.306 121.223 0.076 0.000 1.976 190 L HA 0.033 4.373 4.340 -0.001 0.000 0.209 190 L C 2.210 179.189 176.870 0.183 0.000 1.071 190 L CA 1.620 56.552 54.840 0.153 0.000 0.746 190 L CB -0.736 41.376 42.059 0.087 0.000 0.890 190 L HN 0.223 nan 8.230 nan 0.000 0.432 191 L N -0.967 120.310 121.223 0.089 0.000 2.043 191 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 191 L C 2.312 179.163 176.870 -0.031 0.000 1.075 191 L CA 1.896 56.770 54.840 0.057 0.000 0.752 191 L CB -1.243 40.815 42.059 -0.002 0.000 0.891 191 L HN 0.323 nan 8.230 nan 0.000 0.432 192 T N -1.500 112.984 114.554 -0.117 0.000 2.995 192 T HA -0.111 4.238 4.350 -0.001 0.000 0.269 192 T C 1.862 176.281 174.700 -0.468 0.000 1.091 192 T CA 1.533 63.426 62.100 -0.345 0.000 1.128 192 T CB -0.148 68.493 68.868 -0.378 0.000 0.891 192 T HN 0.384 nan 8.240 nan 0.000 0.492 193 T N 1.808 116.257 114.554 -0.175 0.000 2.857 193 T HA 0.101 4.450 4.350 -0.001 0.000 0.266 193 T C 2.462 177.052 174.700 -0.183 0.000 1.048 193 T CA 0.842 62.869 62.100 -0.121 0.000 1.139 193 T CB -0.414 68.510 68.868 0.094 0.000 0.874 193 T HN 0.407 nan 8.240 nan 0.000 0.455 194 A N 1.737 124.521 122.820 -0.060 0.000 1.873 194 A HA -0.096 4.223 4.320 -0.001 0.000 0.218 194 A C 2.267 179.875 177.584 0.040 0.000 1.193 194 A CA 1.444 53.474 52.037 -0.013 0.000 0.629 194 A CB -0.915 18.231 19.000 0.243 0.000 0.826 194 A HN 0.511 nan 8.150 nan 0.000 0.447 195 I N -1.777 118.776 120.570 -0.028 0.000 2.127 195 I HA -0.291 3.879 4.170 -0.001 0.000 0.241 195 I C 2.352 178.509 176.117 0.066 0.000 1.075 195 I CA 1.526 62.833 61.300 0.012 0.000 1.334 195 I CB -0.559 37.337 38.000 -0.174 0.000 1.040 195 I HN 0.369 nan 8.210 nan 0.000 0.405 196 Y N 0.853 120.999 120.300 -0.258 0.000 2.333 196 Y HA -0.190 4.359 4.550 -0.001 0.000 0.290 196 Y C 2.503 178.392 175.900 -0.018 0.000 1.144 196 Y CA 0.944 58.856 58.100 -0.312 0.000 1.228 196 Y CB -0.781 37.455 38.460 -0.373 0.000 0.985 196 Y HN 0.212 nan 8.280 nan 0.000 0.542 197 K N -1.244 119.121 120.400 -0.059 0.000 2.166 197 K HA -0.007 4.313 4.320 -0.001 0.000 0.201 197 K C 0.974 177.233 176.600 -0.569 0.000 1.052 197 K CA 0.895 56.937 56.287 -0.409 0.000 0.969 197 K CB -0.040 31.925 32.500 -0.892 0.000 0.761 197 K HN 0.147 nan 8.250 nan 0.000 0.459 198 F N -0.598 119.350 119.950 -0.002 0.000 2.712 198 F HA 0.160 4.687 4.527 -0.001 0.000 0.297 198 F C 0.842 176.725 175.800 0.139 0.000 1.114 198 F CA -0.425 57.593 58.000 0.031 0.000 1.305 198 F CB 0.125 39.106 39.000 -0.032 0.000 1.086 198 F HN 0.030 nan 8.300 nan 0.000 0.599 199 H N 3.442 122.688 119.070 0.293 0.000 2.975 199 H HA 0.051 4.606 4.556 -0.001 0.000 0.303 199 H C -1.797 173.670 175.328 0.233 0.000 1.023 199 H CA -1.290 54.925 56.048 0.278 0.000 1.473 199 H CB 1.289 31.262 29.762 0.352 0.000 1.498 199 H HN -0.065 nan 8.280 nan 0.000 0.549 200 P HA -0.290 nan 4.420 nan 0.000 0.225 200 P C 1.188 178.498 177.300 0.018 0.000 1.154 200 P CA 2.325 65.349 63.100 -0.127 0.000 0.933 200 P CB 0.117 31.626 31.700 -0.318 0.000 0.790 201 E N -2.865 117.413 120.200 0.130 0.000 2.401 201 E HA -0.154 4.195 4.350 -0.001 0.000 0.199 201 E C 1.064 177.504 176.600 -0.266 0.000 1.023 201 E CA 0.767 57.156 56.400 -0.017 0.000 0.859 201 E CB -0.222 29.458 29.700 -0.034 0.000 0.780 201 E HN 0.222 nan 8.360 nan 0.000 0.523 202 F N -1.050 119.077 119.950 0.296 0.000 2.549 202 F HA 0.357 4.883 4.527 -0.001 0.000 0.275 202 F C 2.098 178.095 175.800 0.329 0.000 0.990 202 F CA 0.428 58.626 58.000 0.331 0.000 1.274 202 F CB -0.717 38.492 39.000 0.347 0.000 1.064 202 F HN 0.013 nan 8.300 nan 0.000 0.715 203 A N 0.299 123.339 122.820 0.367 0.000 1.948 203 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 203 A C 1.932 179.563 177.584 0.078 0.000 1.177 203 A CA 2.285 54.417 52.037 0.158 0.000 0.636 203 A CB -0.767 18.281 19.000 0.081 0.000 0.815 203 A HN 0.428 nan 8.150 nan 0.000 0.449 204 N N -0.559 118.192 118.700 0.085 0.000 2.373 204 N HA 0.195 4.934 4.740 -0.001 0.000 0.181 204 N C 0.745 176.279 175.510 0.039 0.000 1.082 204 N CA 0.665 53.734 53.050 0.032 0.000 0.885 204 N CB -0.037 38.459 38.487 0.014 0.000 0.977 204 N HN 0.492 nan 8.380 nan 0.000 0.462 205 A N 0.954 123.840 122.820 0.110 0.000 2.327 205 A HA 0.167 4.486 4.320 -0.001 0.000 0.255 205 A C 0.272 177.924 177.584 0.113 0.000 1.099 205 A CA -0.122 52.000 52.037 0.142 0.000 0.801 205 A CB 0.579 19.704 19.000 0.208 0.000 1.062 205 A HN 0.206 nan 8.150 nan 0.000 0.496 206 E N -0.320 119.956 120.200 0.127 0.000 2.158 206 E HA 0.606 4.955 4.350 -0.001 0.000 0.271 206 E C -1.498 175.191 176.600 0.147 0.000 0.911 206 E CA -0.404 55.993 56.400 -0.005 0.000 0.767 206 E CB 0.772 30.477 29.700 0.008 0.000 1.120 206 E HN 0.594 nan 8.360 nan 0.000 0.405 207 F N 0.930 120.890 119.950 0.018 0.000 2.770 207 F HA 0.477 5.003 4.527 -0.001 0.000 0.313 207 F C -1.045 174.636 175.800 -0.198 0.000 1.154 207 F CA -1.234 56.755 58.000 -0.019 0.000 0.923 207 F CB 0.727 39.809 39.000 0.137 0.000 1.301 207 F HN 0.254 nan 8.300 nan 0.000 0.449 208 E N 0.676 120.760 120.200 -0.193 0.000 2.267 208 E HA 0.699 5.049 4.350 -0.001 0.000 0.258 208 E C -1.273 174.987 176.600 -0.567 0.000 1.074 208 E CA -0.697 55.377 56.400 -0.543 0.000 0.915 208 E CB 1.397 30.461 29.700 -1.061 0.000 1.186 208 E HN 0.657 nan 8.360 nan 0.000 0.439 209 I N 2.570 122.831 120.570 -0.515 0.000 2.502 209 I HA 0.172 4.342 4.170 -0.001 0.000 0.276 209 I C -0.097 175.907 176.117 -0.189 0.000 1.057 209 I CA -0.365 60.725 61.300 -0.349 0.000 1.163 209 I CB 0.652 38.566 38.000 -0.143 0.000 1.288 209 I HN 0.708 nan 8.210 nan 0.000 0.479 210 W N 4.489 125.791 121.300 0.004 0.000 2.363 210 W HA -0.121 4.538 4.660 -0.001 0.000 0.296 210 W C 0.607 177.209 176.519 0.138 0.000 1.212 210 W CA 0.301 57.674 57.345 0.046 0.000 1.260 210 W CB 0.055 29.524 29.460 0.015 0.000 1.131 210 W HN 0.396 nan 8.180 nan 0.000 0.530 211 Y N -0.874 119.525 120.300 0.166 0.000 2.677 211 Y HA 0.490 5.040 4.550 -0.001 0.000 0.334 211 Y C 0.202 176.139 175.900 0.062 0.000 1.196 211 Y CA -0.921 57.242 58.100 0.104 0.000 1.059 211 Y CB 0.923 39.430 38.460 0.078 0.000 1.315 211 Y HN 0.053 nan 8.280 nan 0.000 0.455 212 G N 3.068 111.411 108.800 -0.762 0.000 2.719 212 G HA2 0.280 4.239 3.960 -0.001 0.000 0.686 212 G HA3 0.280 4.239 3.960 -0.001 0.000 0.686 212 G C -1.689 173.171 174.900 -0.067 0.000 1.201 212 G CA -0.191 44.642 45.100 -0.445 0.000 0.768 212 G HN 1.143 nan 8.290 nan 0.000 0.629 213 D N 1.632 122.140 120.400 0.179 0.000 2.548 213 D HA 0.497 5.137 4.640 -0.001 0.000 0.214 213 D C -1.028 175.406 176.300 0.223 0.000 1.345 213 D CA -0.705 53.386 54.000 0.153 0.000 0.945 213 D CB 1.695 42.512 40.800 0.029 0.000 1.499 213 D HN 0.199 nan 8.370 nan 0.000 0.579 214 P HA -0.042 nan 4.420 nan 0.000 0.231 214 P C 0.208 177.545 177.300 0.061 0.000 1.158 214 P CA 0.654 63.837 63.100 0.139 0.000 0.763 214 P CB 0.550 32.355 31.700 0.174 0.000 0.805 215 D N -0.434 119.989 120.400 0.038 0.000 2.240 215 D HA 0.004 4.644 4.640 -0.001 0.000 0.206 215 D C 1.089 177.343 176.300 -0.077 0.000 0.963 215 D CA 0.730 54.715 54.000 -0.024 0.000 0.863 215 D CB -0.054 40.743 40.800 -0.005 0.000 0.973 215 D HN 0.223 nan 8.370 nan 0.000 0.501 216 K N 0.507 120.812 120.400 -0.159 0.000 2.102 216 K HA 0.029 4.348 4.320 -0.001 0.000 0.244 216 K C 0.564 176.992 176.600 -0.286 0.000 1.021 216 K CA -0.176 55.933 56.287 -0.297 0.000 0.913 216 K CB 1.277 33.459 32.500 -0.531 0.000 1.062 216 K HN -0.271 nan 8.250 nan 0.000 0.485 217 D N -0.601 119.657 120.400 -0.237 0.000 2.277 217 D HA -0.061 4.579 4.640 -0.001 0.000 0.209 217 D C -0.038 176.262 176.300 -0.001 0.000 0.970 217 D CA 1.122 55.067 54.000 -0.092 0.000 0.874 217 D CB 0.315 41.085 40.800 -0.050 0.000 0.982 217 D HN 0.701 nan 8.370 nan 0.000 0.504 218 H N -1.973 117.080 119.070 -0.028 0.000 4.123 218 H HA -0.170 4.386 4.556 -0.001 0.000 0.146 218 H C 1.436 176.762 175.328 -0.004 0.000 0.800 218 H CA 0.958 56.997 56.048 -0.015 0.000 1.256 218 H CB -1.659 28.090 29.762 -0.021 0.000 0.848 218 H HN 0.366 nan 8.280 nan 0.000 0.462 219 G N 0.323 109.165 108.800 0.071 0.000 2.698 219 G HA2 -0.468 3.491 3.960 -0.001 0.000 0.337 219 G HA3 -0.468 3.491 3.960 -0.001 0.000 0.337 219 G C 1.256 176.158 174.900 0.002 0.000 1.286 219 G CA 1.924 47.037 45.100 0.022 0.000 1.000 219 G HN 0.572 nan 8.290 nan 0.000 0.547 220 S N 0.568 116.266 115.700 -0.004 0.000 2.607 220 S HA 0.341 4.810 4.470 -0.001 0.000 0.224 220 S C 1.033 175.632 174.600 -0.003 0.000 0.969 220 S CA 1.034 59.218 58.200 -0.027 0.000 0.927 220 S CB -0.324 62.861 63.200 -0.025 0.000 0.772 220 S HN 0.641 nan 8.310 nan 0.000 0.533 221 S N 2.419 118.149 115.700 0.050 0.000 2.430 221 S HA 0.427 4.896 4.470 -0.001 0.000 0.289 221 S C 0.025 174.667 174.600 0.070 0.000 1.143 221 S CA -0.551 57.701 58.200 0.086 0.000 1.067 221 S CB 1.180 64.503 63.200 0.205 0.000 0.964 221 S HN 0.559 nan 8.310 nan 0.000 0.485 222 T N 1.933 116.515 114.554 0.046 0.000 2.916 222 T HA 0.667 5.016 4.350 -0.001 0.000 0.298 222 T C -0.976 173.761 174.700 0.063 0.000 1.031 222 T CA -0.847 61.283 62.100 0.050 0.000 0.993 222 T CB 1.235 70.138 68.868 0.058 0.000 1.045 222 T HN 0.396 nan 8.240 nan 0.000 0.454 223 L N 1.831 123.101 121.223 0.078 0.000 2.408 223 L HA 0.690 5.029 4.340 -0.001 0.000 0.268 223 L C -1.149 175.778 176.870 0.095 0.000 0.986 223 L CA -0.490 54.393 54.840 0.072 0.000 0.820 223 L CB 2.034 44.139 42.059 0.076 0.000 1.303 223 L HN 0.993 nan 8.230 nan 0.000 0.411 224 E N 2.008 122.273 120.200 0.109 0.000 2.275 224 E HA 0.341 4.690 4.350 -0.001 0.000 0.270 224 E C 0.618 177.271 176.600 0.089 0.000 0.882 224 E CA -0.202 56.271 56.400 0.121 0.000 0.758 224 E CB 2.096 31.919 29.700 0.205 0.000 1.195 224 E HN 0.873 nan 8.360 nan 0.000 0.419 225 G N 2.738 111.569 108.800 0.052 0.000 2.624 225 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.221 225 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.221 225 G C 1.285 176.218 174.900 0.055 0.000 1.169 225 G CA 1.243 46.371 45.100 0.047 0.000 0.771 225 G HN 0.686 nan 8.290 nan 0.000 0.598 226 G N 0.114 108.889 108.800 -0.041 0.000 2.485 226 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.221 226 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.221 226 G C 1.432 176.420 174.900 0.148 0.000 1.115 226 G CA 1.310 46.410 45.100 0.001 0.000 0.751 226 G HN 0.413 nan 8.290 nan 0.000 0.567 227 D N -0.388 120.108 120.400 0.160 0.000 2.323 227 D HA 0.048 4.687 4.640 -0.001 0.000 0.209 227 D C 0.880 177.260 176.300 0.133 0.000 0.973 227 D CA 0.232 54.329 54.000 0.163 0.000 0.874 227 D CB 0.472 41.362 40.800 0.151 0.000 0.930 227 D HN 0.120 nan 8.370 nan 0.000 0.521 228 V N 1.569 121.558 119.914 0.126 0.000 2.439 228 V HA 0.364 4.484 4.120 -0.001 0.000 0.282 228 V C 0.205 176.380 176.094 0.136 0.000 1.039 228 V CA -0.157 62.205 62.300 0.102 0.000 0.913 228 V CB 1.723 33.581 31.823 0.058 0.000 0.983 228 V HN -0.057 nan 8.190 nan 0.000 0.460 229 M N 7.320 126.990 119.600 0.116 0.000 2.122 229 M HA 0.337 4.817 4.480 -0.001 0.000 0.269 229 M C -2.923 173.399 176.300 0.036 0.000 0.954 229 M CA -1.267 54.114 55.300 0.135 0.000 0.998 229 M CB 3.121 35.873 32.600 0.253 0.000 1.755 229 M HN 0.357 nan 8.290 nan 0.000 0.459 230 P HA 0.204 nan 4.420 nan 0.000 0.274 230 P C 0.365 177.622 177.300 -0.071 0.000 1.504 230 P CA -0.194 62.766 63.100 -0.234 0.000 1.011 230 P CB -0.231 31.149 31.700 -0.533 0.000 1.366 231 I N -0.199 120.379 120.570 0.013 0.000 3.444 231 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 231 I C 0.767 176.938 176.117 0.090 0.000 1.302 231 I CA 0.028 61.315 61.300 -0.020 0.000 1.368 231 I CB -0.785 37.158 38.000 -0.096 0.000 1.048 231 I HN 0.390 nan 8.210 nan 0.000 0.487 232 G N 2.084 111.059 108.800 0.292 0.000 2.710 232 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.668 232 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.668 232 G C 0.052 175.107 174.900 0.257 0.000 1.320 232 G CA -0.138 45.194 45.100 0.387 0.000 0.860 232 G HN 0.583 nan 8.290 nan 0.000 0.538 233 N N -0.985 117.847 118.700 0.221 0.000 2.725 233 N HA 0.079 4.818 4.740 -0.001 0.000 0.249 233 N C 1.936 177.478 175.510 0.053 0.000 1.103 233 N CA 3.051 56.175 53.050 0.123 0.000 0.707 233 N CB -1.046 37.485 38.487 0.075 0.000 1.043 233 N HN 2.701 nan 8.380 nan 0.000 0.553 234 G N -2.971 105.830 108.800 0.001 0.000 2.196 234 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.268 234 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.268 234 G C 0.189 175.174 174.900 0.142 0.000 0.975 234 G CA 0.705 45.783 45.100 -0.037 0.000 0.648 234 G HN 0.703 nan 8.290 nan 0.000 0.538 235 V N 0.137 120.169 119.914 0.197 0.000 2.617 235 V HA 0.712 4.831 4.120 -0.001 0.000 0.298 235 V C 0.436 176.649 176.094 0.200 0.000 1.048 235 V CA -0.657 61.746 62.300 0.172 0.000 0.964 235 V CB 1.985 33.852 31.823 0.072 0.000 1.004 235 V HN 0.330 nan 8.190 nan 0.000 0.466 236 V N 4.715 124.705 119.914 0.126 0.000 2.638 236 V HA 0.472 4.591 4.120 -0.001 0.000 0.306 236 V C -0.473 175.655 176.094 0.057 0.000 1.052 236 V CA -0.565 61.767 62.300 0.053 0.000 0.885 236 V CB 1.857 33.673 31.823 -0.012 0.000 0.999 236 V HN 0.614 nan 8.190 nan 0.000 0.424 237 L N 5.525 126.791 121.223 0.071 0.000 2.289 237 L HA 0.644 4.983 4.340 -0.001 0.000 0.285 237 L C -0.696 176.231 176.870 0.095 0.000 1.049 237 L CA -0.344 54.560 54.840 0.106 0.000 0.804 237 L CB 1.365 43.519 42.059 0.157 0.000 1.195 237 L HN 0.475 nan 8.230 nan 0.000 0.428 238 I N 2.066 122.688 120.570 0.088 0.000 2.499 238 I HA 0.339 4.508 4.170 -0.001 0.000 0.288 238 I C 0.437 176.586 176.117 0.053 0.000 1.048 238 I CA -0.545 60.788 61.300 0.056 0.000 1.062 238 I CB 2.104 40.107 38.000 0.005 0.000 1.238 238 I HN 0.614 nan 8.210 nan 0.000 0.426 239 G N 6.002 114.830 108.800 0.046 0.000 2.380 239 G HA2 0.447 4.406 3.960 -0.001 0.000 0.262 239 G HA3 0.447 4.406 3.960 -0.001 0.000 0.262 239 G C -0.530 174.368 174.900 -0.003 0.000 1.243 239 G CA -0.428 44.676 45.100 0.006 0.000 0.865 239 G HN 0.624 nan 8.290 nan 0.000 0.513 240 M N 4.071 123.658 119.600 -0.020 0.000 2.047 240 M HA 0.544 5.024 4.480 -0.001 0.000 0.342 240 M C 0.360 176.632 176.300 -0.047 0.000 1.058 240 M CA -0.184 55.097 55.300 -0.030 0.000 0.991 240 M CB 0.680 33.263 32.600 -0.028 0.000 1.474 240 M HN 0.639 nan 8.290 nan 0.000 0.419 241 G N 2.465 111.229 108.800 -0.059 0.000 3.137 241 G HA2 0.224 4.184 3.960 -0.001 0.000 0.196 241 G HA3 0.224 4.184 3.960 -0.001 0.000 0.196 241 G C -0.293 174.547 174.900 -0.100 0.000 1.135 241 G CA -0.247 44.801 45.100 -0.087 0.000 0.803 241 G HN 0.561 nan 8.290 nan 0.000 0.619 242 E N -0.535 119.571 120.200 -0.156 0.000 2.347 242 E HA 0.114 4.464 4.350 -0.001 0.000 0.196 242 E C 2.318 178.768 176.600 -0.249 0.000 1.008 242 E CA 0.730 57.010 56.400 -0.201 0.000 0.852 242 E CB 0.265 29.806 29.700 -0.264 0.000 0.783 242 E HN 0.214 nan 8.360 nan 0.000 0.505 243 R N -1.174 119.209 120.500 -0.195 0.000 2.257 243 R HA 0.303 4.642 4.340 -0.001 0.000 0.195 243 R C 0.019 176.346 176.300 0.046 0.000 0.921 243 R CA 0.199 56.239 56.100 -0.100 0.000 1.069 243 R CB 0.592 30.813 30.300 -0.132 0.000 1.115 243 R HN -0.124 nan 8.270 nan 0.000 0.571 244 S N 1.677 117.387 115.700 0.017 0.000 2.498 244 S HA 0.300 4.770 4.470 -0.001 0.000 0.324 244 S C 0.009 174.604 174.600 -0.009 0.000 1.071 244 S CA -0.623 57.591 58.200 0.024 0.000 1.113 244 S CB 1.920 65.138 63.200 0.030 0.000 0.976 244 S HN 0.219 nan 8.310 nan 0.000 0.462 245 S N 2.695 118.390 115.700 -0.009 0.000 2.652 245 S HA 0.322 4.792 4.470 -0.001 0.000 0.270 245 S C 1.366 175.927 174.600 -0.065 0.000 1.243 245 S CA -0.986 57.196 58.200 -0.031 0.000 0.999 245 S CB 0.783 63.972 63.200 -0.018 0.000 0.973 245 S HN 0.833 nan 8.310 nan 0.000 0.544 246 R N 0.867 121.320 120.500 -0.079 0.000 2.115 246 R HA -0.125 4.214 4.340 -0.001 0.000 0.230 246 R C 1.707 177.939 176.300 -0.114 0.000 1.111 246 R CA 1.375 57.409 56.100 -0.109 0.000 0.976 246 R CB -0.615 29.607 30.300 -0.130 0.000 0.870 246 R HN 0.838 nan 8.270 nan 0.000 0.445 247 Q N 0.429 120.177 119.800 -0.087 0.000 2.437 247 Q HA 0.022 4.362 4.340 -0.001 0.000 0.210 247 Q C 1.547 177.496 176.000 -0.084 0.000 0.972 247 Q CA 1.355 57.112 55.803 -0.076 0.000 0.903 247 Q CB 0.094 28.808 28.738 -0.041 0.000 0.967 247 Q HN 0.496 nan 8.270 nan 0.000 0.486 248 A N 1.325 124.074 122.820 -0.119 0.000 1.920 248 A HA 0.139 4.458 4.320 -0.001 0.000 0.209 248 A C 2.167 179.498 177.584 -0.422 0.000 1.229 248 A CA 0.142 52.026 52.037 -0.255 0.000 0.671 248 A CB -0.332 18.584 19.000 -0.140 0.000 0.886 248 A HN 0.205 nan 8.150 nan 0.000 0.461 249 I N 0.431 120.845 120.570 -0.259 0.000 2.118 249 I HA -0.278 3.892 4.170 -0.001 0.000 0.241 249 I C 2.704 178.665 176.117 -0.258 0.000 1.070 249 I CA 1.473 62.630 61.300 -0.239 0.000 1.327 249 I CB -0.665 37.248 38.000 -0.145 0.000 1.034 249 I HN 0.391 nan 8.210 nan 0.000 0.405 250 G N -0.213 108.465 108.800 -0.203 0.000 2.475 250 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.220 250 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.220 250 G C 1.558 176.347 174.900 -0.185 0.000 1.125 250 G CA 0.536 45.535 45.100 -0.169 0.000 0.755 250 G HN 0.472 nan 8.290 nan 0.000 0.565 251 Q N -0.495 119.164 119.800 -0.236 0.000 2.378 251 Q HA 0.088 4.427 4.340 -0.001 0.000 0.205 251 Q C 2.639 178.496 176.000 -0.237 0.000 0.954 251 Q CA 0.442 56.139 55.803 -0.177 0.000 0.901 251 Q CB 0.182 28.871 28.738 -0.081 0.000 0.981 251 Q HN 0.447 nan 8.270 nan 0.000 0.483 252 V N 0.421 120.091 119.914 -0.407 0.000 2.446 252 V HA -0.126 3.994 4.120 -0.001 0.000 0.244 252 V C 2.213 178.096 176.094 -0.352 0.000 1.039 252 V CA 1.495 63.590 62.300 -0.341 0.000 1.045 252 V CB -0.621 30.969 31.823 -0.389 0.000 0.681 252 V HN 0.317 nan 8.190 nan 0.000 0.459 253 A N -0.413 122.156 122.820 -0.419 0.000 1.873 253 A HA -0.357 3.962 4.320 -0.001 0.000 0.218 253 A C 2.227 179.333 177.584 -0.796 0.000 1.193 253 A CA 2.506 54.116 52.037 -0.712 0.000 0.629 253 A CB -0.694 17.958 19.000 -0.580 0.000 0.826 253 A HN 0.585 nan 8.150 nan 0.000 0.447 254 Q N -0.509 119.074 119.800 -0.361 0.000 2.045 254 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 254 Q C 2.342 178.299 176.000 -0.073 0.000 0.991 254 Q CA 2.311 58.046 55.803 -0.113 0.000 0.851 254 Q CB -0.303 28.439 28.738 0.006 0.000 0.911 254 Q HN 0.645 nan 8.270 nan 0.000 0.418 255 S N -0.472 115.193 115.700 -0.058 0.000 2.419 255 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 255 S C 1.853 176.425 174.600 -0.048 0.000 1.019 255 S CA 0.905 59.131 58.200 0.044 0.000 0.982 255 S CB -0.168 63.128 63.200 0.160 0.000 0.789 255 S HN 0.435 nan 8.310 nan 0.000 0.490 256 L N -0.388 120.652 121.223 -0.305 0.000 2.049 256 L HA 0.060 4.400 4.340 -0.001 0.000 0.203 256 L C 2.182 178.932 176.870 -0.199 0.000 1.074 256 L CA 1.101 55.633 54.840 -0.513 0.000 0.749 256 L CB -0.524 41.135 42.059 -0.667 0.000 0.907 256 L HN 0.306 nan 8.230 nan 0.000 0.439 257 F N 0.279 120.161 119.950 -0.112 0.000 2.250 257 F HA -0.182 4.344 4.527 -0.001 0.000 0.301 257 F C 2.540 178.326 175.800 -0.025 0.000 1.077 257 F CA 0.781 58.745 58.000 -0.060 0.000 1.348 257 F CB -1.412 37.571 39.000 -0.029 0.000 1.040 257 F HN 0.050 nan 8.300 nan 0.000 0.509 258 A N -0.026 122.894 122.820 0.167 0.000 1.898 258 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 258 A C 2.006 179.668 177.584 0.130 0.000 1.181 258 A CA 1.233 53.352 52.037 0.137 0.000 0.620 258 A CB -0.498 18.577 19.000 0.125 0.000 0.819 258 A HN 0.164 nan 8.150 nan 0.000 0.442 259 K N -0.477 120.011 120.400 0.146 0.000 2.551 259 K HA 0.259 4.578 4.320 -0.001 0.000 0.192 259 K C 0.964 177.652 176.600 0.147 0.000 1.027 259 K CA 0.644 57.051 56.287 0.201 0.000 1.059 259 K CB -0.482 32.276 32.500 0.430 0.000 0.831 259 K HN 0.693 nan 8.250 nan 0.000 0.508 260 G N 0.235 109.096 108.800 0.101 0.000 2.225 260 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.267 260 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.267 260 G C 0.875 175.809 174.900 0.056 0.000 1.024 260 G CA 0.409 45.557 45.100 0.080 0.000 0.784 260 G HN 0.411 nan 8.290 nan 0.000 0.507 261 A N -1.395 121.421 122.820 -0.006 0.000 2.072 261 A HA 0.755 5.074 4.320 -0.001 0.000 0.216 261 A C 1.503 179.061 177.584 -0.043 0.000 1.156 261 A CA 1.911 53.907 52.037 -0.069 0.000 0.701 261 A CB 0.124 18.853 19.000 -0.451 0.000 0.816 261 A HN 2.164 nan 8.150 nan 0.000 0.458 262 A N -1.361 121.477 122.820 0.030 0.000 2.527 262 A HA 0.696 5.015 4.320 -0.001 0.000 0.293 262 A C 0.138 177.862 177.584 0.234 0.000 1.117 262 A CA -0.235 51.889 52.037 0.145 0.000 0.723 262 A CB 0.828 19.916 19.000 0.146 0.000 1.313 262 A HN 0.128 nan 8.150 nan 0.000 0.411 263 E N -0.579 119.731 120.200 0.183 0.000 2.290 263 E HA 0.148 4.498 4.350 -0.001 0.000 0.199 263 E C 0.458 177.097 176.600 0.064 0.000 0.912 263 E CA 0.232 56.663 56.400 0.053 0.000 0.924 263 E CB 0.663 30.363 29.700 -0.000 0.000 0.901 263 E HN 0.537 nan 8.360 nan 0.000 0.487 264 R N 0.376 121.022 120.500 0.243 0.000 2.643 264 R HA 0.409 4.748 4.340 -0.001 0.000 0.269 264 R C -2.031 174.439 176.300 0.283 0.000 1.037 264 R CA -0.406 55.849 56.100 0.258 0.000 0.894 264 R CB 1.966 32.325 30.300 0.097 0.000 1.238 264 R HN -0.141 nan 8.270 nan 0.000 0.459 265 V N 5.542 125.631 119.914 0.290 0.000 2.444 265 V HA 0.439 4.559 4.120 -0.001 0.000 0.294 265 V C -0.190 175.985 176.094 0.135 0.000 1.022 265 V CA -0.621 61.763 62.300 0.140 0.000 0.850 265 V CB 1.767 33.603 31.823 0.021 0.000 0.992 265 V HN 0.652 nan 8.190 nan 0.000 0.426 266 I N 5.570 126.205 120.570 0.107 0.000 2.307 266 I HA 0.252 4.422 4.170 -0.001 0.000 0.287 266 I C -0.031 176.184 176.117 0.164 0.000 1.054 266 I CA -0.529 60.845 61.300 0.124 0.000 1.218 266 I CB 1.501 39.542 38.000 0.067 0.000 1.398 266 I HN 0.287 nan 8.210 nan 0.000 0.475 267 V N 6.526 126.553 119.914 0.189 0.000 2.425 267 V HA 0.080 4.199 4.120 -0.001 0.000 0.276 267 V C 0.977 177.211 176.094 0.233 0.000 1.017 267 V CA -0.253 62.161 62.300 0.189 0.000 1.062 267 V CB 0.763 32.701 31.823 0.192 0.000 0.997 267 V HN 0.812 nan 8.190 nan 0.000 0.476 268 A N 5.084 127.986 122.820 0.137 0.000 2.666 268 A HA 0.567 4.886 4.320 -0.001 0.000 0.312 268 A C 0.983 178.509 177.584 -0.097 0.000 1.471 268 A CA 0.012 52.004 52.037 -0.074 0.000 1.134 268 A CB -0.244 18.562 19.000 -0.322 0.000 1.129 268 A HN 0.987 nan 8.150 nan 0.000 0.539 269 G N 2.219 111.034 108.800 0.025 0.000 2.346 269 G HA2 0.426 4.386 3.960 -0.001 0.000 0.275 269 G HA3 0.426 4.386 3.960 -0.001 0.000 0.275 269 G C -0.112 174.750 174.900 -0.063 0.000 1.190 269 G CA -0.248 44.894 45.100 0.071 0.000 1.015 269 G HN 0.690 nan 8.290 nan 0.000 0.441 270 L N 5.716 126.892 121.223 -0.077 0.000 2.281 270 L HA 0.286 4.625 4.340 -0.001 0.000 0.285 270 L C -1.521 175.310 176.870 -0.064 0.000 1.074 270 L CA -1.844 52.936 54.840 -0.101 0.000 0.817 270 L CB 1.649 43.647 42.059 -0.102 0.000 1.168 270 L HN 0.395 nan 8.230 nan 0.000 0.434 271 P HA 0.007 nan 4.420 nan 0.000 0.271 271 P C 0.193 177.467 177.300 -0.043 0.000 1.233 271 P CA -0.380 62.694 63.100 -0.045 0.000 0.764 271 P CB 1.315 32.984 31.700 -0.052 0.000 0.825 272 K N 3.798 124.177 120.400 -0.035 0.000 2.159 272 K HA -0.302 4.017 4.320 -0.001 0.000 0.217 272 K C 2.006 178.584 176.600 -0.036 0.000 1.048 272 K CA 2.651 58.917 56.287 -0.036 0.000 0.941 272 K CB -1.209 31.275 32.500 -0.027 0.000 0.738 272 K HN 0.426 nan 8.250 nan 0.000 0.469 273 S N -0.082 115.601 115.700 -0.029 0.000 2.378 273 S HA -0.149 4.320 4.470 -0.001 0.000 0.221 273 S C 1.386 175.975 174.600 -0.018 0.000 1.037 273 S CA 1.569 59.756 58.200 -0.021 0.000 1.069 273 S CB -0.244 62.945 63.200 -0.019 0.000 1.006 273 S HN 0.495 nan 8.310 nan 0.000 0.423 274 R N 0.901 121.391 120.500 -0.017 0.000 2.363 274 R HA 0.310 4.649 4.340 -0.001 0.000 0.236 274 R C 1.217 177.500 176.300 -0.029 0.000 0.966 274 R CA 0.561 56.662 56.100 0.001 0.000 1.100 274 R CB -0.376 29.928 30.300 0.008 0.000 1.125 274 R HN 0.412 nan 8.270 nan 0.000 0.514 275 A N 0.918 123.705 122.820 -0.054 0.000 2.308 275 A HA 0.305 4.624 4.320 -0.001 0.000 0.217 275 A C 1.792 179.299 177.584 -0.127 0.000 1.216 275 A CA 0.241 52.226 52.037 -0.087 0.000 0.864 275 A CB 0.191 19.144 19.000 -0.079 0.000 0.902 275 A HN 0.295 nan 8.150 nan 0.000 0.499 276 A N 0.101 122.857 122.820 -0.108 0.000 2.252 276 A HA 0.396 4.715 4.320 -0.001 0.000 0.207 276 A C 1.076 178.552 177.584 -0.181 0.000 1.194 276 A CA 0.710 52.666 52.037 -0.135 0.000 0.809 276 A CB -0.703 18.250 19.000 -0.078 0.000 0.814 276 A HN 0.722 nan 8.150 nan 0.000 0.482 277 M N -2.658 116.819 119.600 -0.205 0.000 2.826 277 M HA 0.646 5.125 4.480 -0.001 0.000 0.284 277 M C -1.016 175.034 176.300 -0.416 0.000 1.191 277 M CA -0.775 54.367 55.300 -0.264 0.000 0.745 277 M CB 0.578 33.142 32.600 -0.059 0.000 1.750 277 M HN 0.132 nan 8.290 nan 0.000 0.434 278 H N -0.348 118.717 119.070 -0.009 0.000 2.710 278 H HA 0.470 5.025 4.556 -0.001 0.000 0.361 278 H C 0.304 175.643 175.328 0.019 0.000 1.175 278 H CA -0.796 55.254 56.048 0.003 0.000 1.206 278 H CB 1.600 31.374 29.762 0.020 0.000 1.750 278 H HN 0.643 nan 8.280 nan 0.000 0.553 279 L N 1.136 122.451 121.223 0.153 0.000 2.042 279 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 279 L C 1.647 178.614 176.870 0.162 0.000 1.076 279 L CA 2.045 56.950 54.840 0.108 0.000 0.749 279 L CB -0.526 41.593 42.059 0.100 0.000 0.893 279 L HN 0.869 nan 8.230 nan 0.000 0.432 280 D N -2.576 117.917 120.400 0.155 0.000 2.338 280 D HA -0.116 4.523 4.640 -0.001 0.000 0.239 280 D C 1.390 177.705 176.300 0.025 0.000 1.095 280 D CA 0.795 54.825 54.000 0.050 0.000 0.888 280 D CB -0.222 40.576 40.800 -0.003 0.000 0.899 280 D HN 0.306 nan 8.370 nan 0.000 0.525 281 T N -0.745 113.864 114.554 0.092 0.000 3.023 281 T HA 0.099 4.448 4.350 -0.001 0.000 0.253 281 T C 1.408 176.155 174.700 0.077 0.000 1.038 281 T CA 0.689 62.830 62.100 0.067 0.000 0.962 281 T CB 0.358 69.287 68.868 0.101 0.000 1.018 281 T HN 0.221 nan 8.240 nan 0.000 0.521 282 V N -2.346 117.650 119.914 0.137 0.000 3.451 282 V HA 0.582 4.701 4.120 -0.001 0.000 0.288 282 V C -0.254 175.986 176.094 0.242 0.000 1.502 282 V CA -0.577 61.854 62.300 0.218 0.000 1.026 282 V CB 0.041 32.022 31.823 0.262 0.000 0.840 282 V HN 0.234 nan 8.190 nan 0.000 0.437 283 F N 1.196 121.151 119.950 0.008 0.000 2.585 283 F HA 0.812 5.338 4.527 -0.001 0.000 0.319 283 F C -0.676 175.069 175.800 -0.091 0.000 1.165 283 F CA -0.123 57.866 58.000 -0.019 0.000 0.949 283 F CB 2.132 41.173 39.000 0.069 0.000 1.218 283 F HN 0.014 nan 8.300 nan 0.000 0.453 284 S N 4.713 120.078 115.700 -0.558 0.000 2.537 284 S HA 0.573 5.042 4.470 -0.001 0.000 0.270 284 S C -1.477 172.813 174.600 -0.517 0.000 1.142 284 S CA -0.583 57.382 58.200 -0.393 0.000 0.870 284 S CB 1.467 64.517 63.200 -0.250 0.000 1.112 284 S HN 0.415 nan 8.310 nan 0.000 0.466 285 F N 0.674 120.503 119.950 -0.202 0.000 2.404 285 F HA 0.395 4.921 4.527 -0.001 0.000 0.339 285 F C 1.038 176.797 175.800 -0.070 0.000 1.105 285 F CA -0.329 57.595 58.000 -0.127 0.000 1.087 285 F CB 1.020 40.014 39.000 -0.011 0.000 1.143 285 F HN 0.671 nan 8.300 nan 0.000 0.491 286 C N 0.164 119.545 119.300 0.135 0.000 2.735 286 C HA 0.246 4.705 4.460 -0.001 0.000 0.444 286 C C 0.163 175.216 174.990 0.105 0.000 1.331 286 C CA 0.126 59.189 59.018 0.075 0.000 2.225 286 C CB 0.089 27.829 27.740 -0.001 0.000 2.917 286 C HN 0.744 nan 8.230 nan 0.000 0.567 287 D N -0.670 119.821 120.400 0.151 0.000 2.610 287 D HA 0.214 4.853 4.640 -0.001 0.000 0.271 287 D C 0.643 177.066 176.300 0.204 0.000 1.174 287 D CA -0.396 53.682 54.000 0.130 0.000 0.949 287 D CB 1.238 42.086 40.800 0.079 0.000 1.430 287 D HN 0.135 nan 8.370 nan 0.000 0.467 288 R N 0.577 121.163 120.500 0.145 0.000 2.154 288 R HA -0.178 4.162 4.340 -0.001 0.000 0.248 288 R C 0.555 177.051 176.300 0.327 0.000 1.155 288 R CA 2.282 58.506 56.100 0.207 0.000 0.979 288 R CB -0.137 30.212 30.300 0.081 0.000 0.869 288 R HN 0.280 nan 8.270 nan 0.000 0.452 289 D N -0.524 120.023 120.400 0.245 0.000 2.673 289 D HA 0.128 4.767 4.640 -0.001 0.000 0.278 289 D C -0.475 175.910 176.300 0.141 0.000 1.393 289 D CA -0.371 53.761 54.000 0.220 0.000 0.805 289 D CB 0.038 40.934 40.800 0.160 0.000 1.110 289 D HN 0.254 nan 8.370 nan 0.000 0.476 290 L N 1.238 122.547 121.223 0.143 0.000 2.438 290 L HA 0.571 4.910 4.340 -0.001 0.000 0.270 290 L C -1.251 175.570 176.870 -0.081 0.000 0.972 290 L CA -0.858 53.993 54.840 0.019 0.000 0.831 290 L CB 2.058 44.128 42.059 0.018 0.000 1.273 290 L HN -0.013 nan 8.230 nan 0.000 0.405 291 V N 0.447 120.206 119.914 -0.258 0.000 2.962 291 V HA 0.723 4.842 4.120 -0.001 0.000 0.313 291 V C -0.085 175.780 176.094 -0.381 0.000 1.099 291 V CA -0.587 61.401 62.300 -0.521 0.000 0.971 291 V CB 1.738 32.935 31.823 -1.043 0.000 1.028 291 V HN 0.819 nan 8.190 nan 0.000 0.430 292 T N 0.249 114.571 114.554 -0.386 0.000 2.829 292 T HA 0.816 5.165 4.350 -0.001 0.000 0.282 292 T C -0.561 173.988 174.700 -0.253 0.000 0.990 292 T CA -0.642 61.310 62.100 -0.247 0.000 1.028 292 T CB 1.502 70.257 68.868 -0.189 0.000 0.951 292 T HN 0.918 nan 8.240 nan 0.000 0.460 293 V N 3.298 123.144 119.914 -0.113 0.000 2.841 293 V HA 0.527 4.646 4.120 -0.001 0.000 0.310 293 V C -1.275 174.906 176.094 0.145 0.000 1.090 293 V CA -1.056 61.251 62.300 0.011 0.000 0.930 293 V CB 2.093 33.933 31.823 0.028 0.000 1.014 293 V HN 0.936 nan 8.190 nan 0.000 0.425 294 F N 7.982 127.944 119.950 0.021 0.000 2.303 294 F HA 0.529 5.055 4.527 -0.001 0.000 0.368 294 F C -1.834 173.993 175.800 0.044 0.000 1.105 294 F CA -2.779 55.240 58.000 0.033 0.000 1.153 294 F CB 1.552 40.581 39.000 0.047 0.000 1.362 294 F HN 0.338 nan 8.300 nan 0.000 0.511 295 P HA -0.260 nan 4.420 nan 0.000 0.216 295 P C 1.223 178.311 177.300 -0.353 0.000 1.167 295 P CA 2.046 65.033 63.100 -0.188 0.000 0.914 295 P CB 0.312 31.956 31.700 -0.093 0.000 0.793 296 E N -1.168 118.664 120.200 -0.613 0.000 2.208 296 E HA -0.153 4.196 4.350 -0.001 0.000 0.202 296 E C 1.789 178.127 176.600 -0.437 0.000 1.014 296 E CA 1.169 57.249 56.400 -0.533 0.000 0.819 296 E CB -0.836 28.467 29.700 -0.661 0.000 0.735 296 E HN 0.141 nan 8.360 nan 0.000 0.469 297 V N -1.249 118.356 119.914 -0.515 0.000 2.788 297 V HA -0.035 4.085 4.120 -0.001 0.000 0.241 297 V C 1.969 177.968 176.094 -0.157 0.000 1.083 297 V CA 0.479 62.639 62.300 -0.232 0.000 1.103 297 V CB 0.163 31.936 31.823 -0.084 0.000 0.800 297 V HN 0.071 nan 8.190 nan 0.000 0.476 298 V N 1.815 121.658 119.914 -0.119 0.000 2.515 298 V HA -0.225 3.894 4.120 -0.001 0.000 0.250 298 V C 2.421 178.486 176.094 -0.048 0.000 1.058 298 V CA 2.302 64.575 62.300 -0.045 0.000 1.064 298 V CB -0.763 31.121 31.823 0.102 0.000 0.675 298 V HN 0.776 nan 8.190 nan 0.000 0.461 299 K N -0.259 120.099 120.400 -0.071 0.000 2.504 299 K HA -0.056 4.263 4.320 -0.001 0.000 0.195 299 K C 1.366 177.925 176.600 -0.068 0.000 1.036 299 K CA 1.133 57.388 56.287 -0.053 0.000 0.984 299 K CB 0.033 32.497 32.500 -0.061 0.000 0.788 299 K HN 0.295 nan 8.250 nan 0.000 0.488 300 E N 0.695 120.836 120.200 -0.097 0.000 2.489 300 E HA 0.206 4.555 4.350 -0.001 0.000 0.204 300 E C 0.152 176.680 176.600 -0.119 0.000 1.006 300 E CA -0.159 56.183 56.400 -0.097 0.000 0.936 300 E CB 0.360 30.003 29.700 -0.096 0.000 1.002 300 E HN 0.328 nan 8.360 nan 0.000 0.488 301 I N 1.937 122.406 120.570 -0.169 0.000 2.598 301 I HA -0.049 4.120 4.170 -0.001 0.000 0.284 301 I C 0.102 176.097 176.117 -0.202 0.000 1.140 301 I CA 0.007 61.150 61.300 -0.261 0.000 1.420 301 I CB 0.767 38.440 38.000 -0.546 0.000 1.387 301 I HN -0.307 nan 8.210 nan 0.000 0.553 302 V N 9.505 129.312 119.914 -0.178 0.000 2.304 302 V HA 0.222 4.342 4.120 -0.001 0.000 0.269 302 V C -1.878 174.005 176.094 -0.352 0.000 1.036 302 V CA -1.584 60.580 62.300 -0.227 0.000 0.840 302 V CB 0.707 32.419 31.823 -0.185 0.000 1.036 302 V HN 0.600 nan 8.190 nan 0.000 0.466 303 P HA 0.326 nan 4.420 nan 0.000 0.275 303 P C -1.136 175.849 177.300 -0.526 0.000 1.227 303 P CA -0.105 62.893 63.100 -0.170 0.000 0.781 303 P CB 0.758 32.510 31.700 0.086 0.000 0.906 304 F N 0.025 120.013 119.950 0.064 0.000 2.536 304 F HA 0.236 4.762 4.527 -0.001 0.000 0.322 304 F C 0.410 176.242 175.800 0.055 0.000 1.144 304 F CA -0.467 57.560 58.000 0.047 0.000 0.924 304 F CB 1.774 40.794 39.000 0.034 0.000 1.181 304 F HN 0.092 nan 8.300 nan 0.000 0.438 305 S N 3.865 119.687 115.700 0.203 0.000 2.452 305 S HA 0.526 4.995 4.470 -0.001 0.000 0.284 305 S C -0.877 173.823 174.600 0.166 0.000 1.171 305 S CA -0.413 57.874 58.200 0.145 0.000 1.064 305 S CB 0.980 64.228 63.200 0.079 0.000 0.967 305 S HN 0.459 nan 8.310 nan 0.000 0.484 306 L N 5.449 126.784 121.223 0.187 0.000 2.294 306 L HA 0.554 4.893 4.340 -0.001 0.000 0.283 306 L C -0.476 176.576 176.870 0.302 0.000 1.015 306 L CA -0.053 54.929 54.840 0.236 0.000 0.831 306 L CB 0.493 42.685 42.059 0.222 0.000 1.217 306 L HN 0.588 nan 8.230 nan 0.000 0.420 307 R N 5.853 126.423 120.500 0.117 0.000 2.750 307 R HA 0.609 4.948 4.340 -0.001 0.000 0.281 307 R C -2.584 173.470 176.300 -0.410 0.000 0.972 307 R CA -1.875 54.076 56.100 -0.249 0.000 0.912 307 R CB 1.696 31.885 30.300 -0.185 0.000 1.187 307 R HN 0.425 nan 8.270 nan 0.000 0.464 308 P HA 0.012 nan 4.420 nan 0.000 0.270 308 P C -0.978 176.176 177.300 -0.244 0.000 1.223 308 P CA 0.282 63.051 63.100 -0.552 0.000 0.785 308 P CB 0.706 31.967 31.700 -0.731 0.000 0.923 309 D N 1.294 121.620 120.400 -0.123 0.000 2.795 309 D HA 0.237 4.876 4.640 -0.001 0.000 0.206 309 D C -2.574 173.676 176.300 -0.083 0.000 1.278 309 D CA -1.667 52.269 54.000 -0.106 0.000 0.839 309 D CB 1.140 41.875 40.800 -0.108 0.000 1.700 309 D HN -0.023 nan 8.370 nan 0.000 0.549 310 P HA 0.085 nan 4.420 nan 0.000 0.255 310 P C 1.025 178.286 177.300 -0.065 0.000 1.248 310 P CA 0.194 63.262 63.100 -0.052 0.000 0.807 310 P CB 0.477 32.156 31.700 -0.036 0.000 1.150 311 S N -1.446 114.205 115.700 -0.081 0.000 2.481 311 S HA 0.011 4.480 4.470 -0.001 0.000 0.231 311 S C 1.057 175.582 174.600 -0.125 0.000 0.996 311 S CA 0.261 58.410 58.200 -0.085 0.000 0.942 311 S CB -0.542 62.610 63.200 -0.080 0.000 0.768 311 S HN 0.040 nan 8.310 nan 0.000 0.520 312 S N 0.773 116.368 115.700 -0.174 0.000 2.525 312 S HA 0.529 4.998 4.470 -0.001 0.000 0.290 312 S C -2.021 172.446 174.600 -0.221 0.000 1.152 312 S CA -1.620 56.397 58.200 -0.304 0.000 1.072 312 S CB 1.317 64.192 63.200 -0.541 0.000 1.027 312 S HN 0.131 nan 8.310 nan 0.000 0.500 313 P HA 0.002 nan 4.420 nan 0.000 0.219 313 P C 0.270 177.589 177.300 0.032 0.000 1.150 313 P CA 0.920 63.993 63.100 -0.046 0.000 0.814 313 P CB -0.058 31.647 31.700 0.007 0.000 0.787 314 Y N -3.281 117.033 120.300 0.024 0.000 2.461 314 Y HA 0.555 5.105 4.550 -0.001 0.000 0.277 314 Y C 1.477 177.405 175.900 0.048 0.000 1.182 314 Y CA -0.383 57.736 58.100 0.031 0.000 1.276 314 Y CB -1.114 37.360 38.460 0.024 0.000 1.087 314 Y HN -0.045 nan 8.280 nan 0.000 0.519 315 G N 0.655 109.445 108.800 -0.017 0.000 2.180 315 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.263 315 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.263 315 G C -0.122 174.815 174.900 0.062 0.000 0.989 315 G CA 0.911 46.022 45.100 0.019 0.000 0.692 315 G HN 0.475 nan 8.290 nan 0.000 0.526 316 M N -0.808 118.828 119.600 0.059 0.000 2.619 316 M HA 0.389 4.868 4.480 -0.001 0.000 0.297 316 M C -0.302 176.027 176.300 0.050 0.000 1.229 316 M CA -0.737 54.653 55.300 0.150 0.000 0.860 316 M CB 2.366 35.189 32.600 0.372 0.000 1.741 316 M HN 0.175 nan 8.290 nan 0.000 0.462 317 N N 1.066 119.805 118.700 0.065 0.000 2.269 317 N HA 0.732 5.471 4.740 -0.001 0.000 0.304 317 N C -2.052 173.525 175.510 0.111 0.000 1.072 317 N CA -0.538 52.541 53.050 0.049 0.000 0.802 317 N CB 2.281 40.761 38.487 -0.011 0.000 1.348 317 N HN 0.680 nan 8.380 nan 0.000 0.484 318 I N 2.227 122.871 120.570 0.124 0.000 2.582 318 I HA 0.494 4.663 4.170 -0.001 0.000 0.292 318 I C -1.280 174.921 176.117 0.141 0.000 1.066 318 I CA -0.705 60.678 61.300 0.137 0.000 1.053 318 I CB 1.342 39.414 38.000 0.120 0.000 1.241 318 I HN 0.582 nan 8.210 nan 0.000 0.421 319 R N 5.727 126.337 120.500 0.183 0.000 2.673 319 R HA 0.419 4.758 4.340 -0.001 0.000 0.281 319 R C -1.042 175.417 176.300 0.264 0.000 0.991 319 R CA -0.979 55.232 56.100 0.184 0.000 0.896 319 R CB 2.502 32.861 30.300 0.099 0.000 1.201 319 R HN 0.560 nan 8.270 nan 0.000 0.457 320 R N 2.444 123.083 120.500 0.233 0.000 2.216 320 R HA 0.086 4.425 4.340 -0.001 0.000 0.332 320 R C -0.462 175.771 176.300 -0.111 0.000 1.056 320 R CA -0.241 55.847 56.100 -0.019 0.000 0.901 320 R CB 0.731 31.052 30.300 0.035 0.000 1.039 320 R HN 0.458 nan 8.270 nan 0.000 0.456 321 E N 3.116 123.199 120.200 -0.195 0.000 2.366 321 E HA 0.002 4.351 4.350 -0.001 0.000 0.266 321 E C 0.040 176.561 176.600 -0.132 0.000 1.051 321 E CA -0.163 56.167 56.400 -0.117 0.000 0.884 321 E CB 1.348 30.991 29.700 -0.094 0.000 1.006 321 E HN 0.633 nan 8.360 nan 0.000 0.417 322 E N 1.011 121.164 120.200 -0.078 0.000 2.460 322 E HA 0.046 4.395 4.350 -0.001 0.000 0.200 322 E C -0.161 176.408 176.600 -0.052 0.000 1.011 322 E CA 0.154 56.515 56.400 -0.066 0.000 0.912 322 E CB 0.536 30.211 29.700 -0.042 0.000 0.953 322 E HN 0.311 nan 8.360 nan 0.000 0.494 323 K N 1.243 121.614 120.400 -0.048 0.000 2.180 323 K HA 0.095 4.414 4.320 -0.001 0.000 0.251 323 K C 0.699 177.280 176.600 -0.032 0.000 1.014 323 K CA 0.013 56.279 56.287 -0.035 0.000 0.913 323 K CB 0.601 33.080 32.500 -0.035 0.000 1.008 323 K HN 0.014 nan 8.250 nan 0.000 0.490 324 T N -1.661 112.885 114.554 -0.014 0.000 2.828 324 T HA 0.037 4.387 4.350 -0.001 0.000 0.290 324 T C 1.116 175.845 174.700 0.049 0.000 1.019 324 T CA -0.497 61.613 62.100 0.017 0.000 1.031 324 T CB 0.308 69.192 68.868 0.027 0.000 1.001 324 T HN 0.463 nan 8.240 nan 0.000 0.531 325 F N 0.895 120.786 119.950 -0.098 0.000 2.095 325 F HA -0.017 4.509 4.527 -0.001 0.000 0.298 325 F C 2.017 177.766 175.800 -0.085 0.000 1.104 325 F CA 1.359 59.283 58.000 -0.127 0.000 1.232 325 F CB -0.641 38.253 39.000 -0.176 0.000 0.987 325 F HN 0.517 nan 8.300 nan 0.000 0.475 326 L N -0.354 120.891 121.223 0.035 0.000 2.131 326 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 326 L C 2.323 179.163 176.870 -0.051 0.000 1.092 326 L CA 1.524 56.366 54.840 0.003 0.000 0.759 326 L CB -0.653 41.463 42.059 0.094 0.000 0.903 326 L HN 0.197 nan 8.230 nan 0.000 0.435 327 E N -0.517 119.659 120.200 -0.041 0.000 2.046 327 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 327 E C 2.294 178.848 176.600 -0.077 0.000 0.982 327 E CA 1.002 57.377 56.400 -0.041 0.000 0.800 327 E CB -0.014 29.671 29.700 -0.025 0.000 0.756 327 E HN 0.221 nan 8.360 nan 0.000 0.449 328 V N 1.176 121.024 119.914 -0.111 0.000 2.407 328 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 328 V C 2.302 178.285 176.094 -0.185 0.000 1.055 328 V CA 1.266 63.486 62.300 -0.134 0.000 1.049 328 V CB -0.295 31.446 31.823 -0.137 0.000 0.662 328 V HN 0.128 nan 8.190 nan 0.000 0.455 329 V N 0.057 119.795 119.914 -0.293 0.000 2.453 329 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 329 V C 2.630 178.663 176.094 -0.101 0.000 1.048 329 V CA 1.749 63.893 62.300 -0.260 0.000 1.049 329 V CB -0.996 30.604 31.823 -0.371 0.000 0.672 329 V HN 0.546 nan 8.190 nan 0.000 0.457 330 A N -0.158 122.622 122.820 -0.068 0.000 1.835 330 A HA -0.256 4.063 4.320 -0.001 0.000 0.215 330 A C 2.310 179.863 177.584 -0.052 0.000 1.199 330 A CA 1.833 53.852 52.037 -0.029 0.000 0.615 330 A CB -0.695 18.299 19.000 -0.010 0.000 0.838 330 A HN 0.458 nan 8.150 nan 0.000 0.444 331 E N 0.799 120.968 120.200 -0.051 0.000 2.219 331 E HA -0.186 4.163 4.350 -0.001 0.000 0.198 331 E C 2.108 178.671 176.600 -0.062 0.000 0.998 331 E CA 1.626 57.999 56.400 -0.045 0.000 0.818 331 E CB -0.230 29.446 29.700 -0.040 0.000 0.741 331 E HN 0.685 nan 8.360 nan 0.000 0.477 332 S N -0.602 115.046 115.700 -0.086 0.000 2.515 332 S HA -0.011 4.458 4.470 -0.001 0.000 0.231 332 S C 1.808 176.324 174.600 -0.140 0.000 0.987 332 S CA 0.313 58.458 58.200 -0.091 0.000 0.936 332 S CB -0.080 63.066 63.200 -0.090 0.000 0.766 332 S HN 0.270 nan 8.310 nan 0.000 0.528 333 L N 0.488 121.592 121.223 -0.197 0.000 2.857 333 L HA 0.448 4.788 4.340 -0.001 0.000 0.249 333 L C 1.743 178.513 176.870 -0.166 0.000 1.172 333 L CA 0.227 54.827 54.840 -0.399 0.000 0.980 333 L CB 0.073 41.727 42.059 -0.676 0.000 1.299 333 L HN 0.509 nan 8.230 nan 0.000 0.535 334 G N 0.613 109.384 108.800 -0.047 0.000 2.253 334 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.251 334 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.251 334 G C 0.386 175.310 174.900 0.040 0.000 0.998 334 G CA -0.021 45.096 45.100 0.028 0.000 0.621 334 G HN 0.220 nan 8.290 nan 0.000 0.524 335 L N 0.480 121.723 121.223 0.034 0.000 2.453 335 L HA 0.388 4.727 4.340 -0.001 0.000 0.272 335 L C 1.816 178.702 176.870 0.026 0.000 1.182 335 L CA 0.105 54.975 54.840 0.049 0.000 0.858 335 L CB 0.677 42.774 42.059 0.063 0.000 1.120 335 L HN 0.161 nan 8.230 nan 0.000 0.474 336 K N 3.007 123.425 120.400 0.030 0.000 2.009 336 K HA -0.128 4.192 4.320 -0.001 0.000 0.210 336 K C 0.305 176.913 176.600 0.014 0.000 1.049 336 K CA 1.721 58.019 56.287 0.019 0.000 0.929 336 K CB 0.207 32.719 32.500 0.021 0.000 0.714 336 K HN 0.753 nan 8.250 nan 0.000 0.440 337 K N -2.150 118.263 120.400 0.022 0.000 2.556 337 K HA 0.366 4.685 4.320 -0.001 0.000 0.289 337 K C -1.290 175.328 176.600 0.031 0.000 1.040 337 K CA -1.024 55.274 56.287 0.018 0.000 0.894 337 K CB 0.734 33.242 32.500 0.014 0.000 1.547 337 K HN -0.037 nan 8.250 nan 0.000 0.417 338 L N 1.097 122.336 121.223 0.027 0.000 2.334 338 L HA 0.549 4.889 4.340 -0.001 0.000 0.273 338 L C -0.236 176.639 176.870 0.008 0.000 1.013 338 L CA -1.175 53.684 54.840 0.030 0.000 0.816 338 L CB 1.968 44.039 42.059 0.021 0.000 1.278 338 L HN 0.528 nan 8.230 nan 0.000 0.431 339 R N 1.370 121.873 120.500 0.005 0.000 2.340 339 R HA 0.498 4.838 4.340 -0.001 0.000 0.300 339 R C -1.115 175.158 176.300 -0.043 0.000 1.069 339 R CA -0.435 55.658 56.100 -0.010 0.000 0.984 339 R CB 1.358 31.656 30.300 -0.003 0.000 1.003 339 R HN 0.274 nan 8.270 nan 0.000 0.459 340 V N 3.896 123.783 119.914 -0.045 0.000 2.588 340 V HA 0.288 4.407 4.120 -0.001 0.000 0.304 340 V C -0.345 175.710 176.094 -0.065 0.000 1.042 340 V CA -0.861 61.398 62.300 -0.069 0.000 0.877 340 V CB 2.114 33.912 31.823 -0.042 0.000 0.996 340 V HN 0.438 nan 8.190 nan 0.000 0.425 341 V N 4.472 124.330 119.914 -0.093 0.000 2.347 341 V HA 0.393 4.512 4.120 -0.001 0.000 0.280 341 V C 0.188 176.233 176.094 -0.083 0.000 1.021 341 V CA -0.639 61.604 62.300 -0.095 0.000 0.847 341 V CB 1.239 32.987 31.823 -0.124 0.000 0.990 341 V HN 0.915 nan 8.190 nan 0.000 0.444 342 E N 2.813 122.984 120.200 -0.048 0.000 2.319 342 E HA 0.642 4.992 4.350 -0.001 0.000 0.268 342 E C -0.029 176.560 176.600 -0.018 0.000 1.050 342 E CA -0.369 56.029 56.400 -0.003 0.000 0.878 342 E CB 1.779 31.501 29.700 0.037 0.000 1.066 342 E HN 0.809 nan 8.360 nan 0.000 0.406 343 T N -1.528 113.044 114.554 0.030 0.000 2.932 343 T HA 0.599 4.948 4.350 -0.001 0.000 0.318 343 T C 0.106 174.825 174.700 0.033 0.000 1.265 343 T CA -0.155 61.929 62.100 -0.027 0.000 1.036 343 T CB 1.599 70.389 68.868 -0.130 0.000 1.209 343 T HN 0.896 nan 8.240 nan 0.000 0.484 350 A N -0.499 122.308 122.820 -0.021 0.000 2.018 350 A HA 0.516 4.835 4.320 -0.001 0.000 0.201 350 A C 1.461 179.005 177.584 -0.067 0.000 1.892 350 A CA 1.023 53.046 52.037 -0.022 0.000 0.962 350 A CB 0.019 19.025 19.000 0.009 0.000 1.195 350 A HN 0.048 nan 8.150 nan 0.000 0.615 351 E N 0.208 120.343 120.200 -0.109 0.000 2.364 351 E HA 0.098 4.447 4.350 -0.001 0.000 0.196 351 E C 0.528 176.854 176.600 -0.457 0.000 0.990 351 E CA -0.089 56.201 56.400 -0.184 0.000 0.886 351 E CB -0.025 29.641 29.700 -0.057 0.000 0.866 351 E HN 0.347 nan 8.360 nan 0.000 0.493 352 R N 2.221 122.298 120.500 -0.705 0.000 2.638 352 R HA -0.097 4.242 4.340 -0.001 0.000 0.351 352 R C 1.124 177.186 176.300 -0.398 0.000 0.871 352 R CA 0.254 55.818 56.100 -0.895 0.000 1.091 352 R CB 0.043 30.049 30.300 -0.491 0.000 0.900 352 R HN 0.187 nan 8.270 nan 0.000 0.405 353 E N 2.603 122.609 120.200 -0.323 0.000 2.153 353 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 353 E C 0.341 176.898 176.600 -0.072 0.000 0.988 353 E CA 1.272 57.590 56.400 -0.137 0.000 0.811 353 E CB 0.319 29.971 29.700 -0.080 0.000 0.746 353 E HN 0.702 nan 8.360 nan 0.000 0.466 354 Q N -2.036 117.726 119.800 -0.064 0.000 2.831 354 Q HA 0.200 4.539 4.340 -0.001 0.000 0.322 354 Q C -1.291 174.750 176.000 0.068 0.000 0.923 354 Q CA -1.084 54.736 55.803 0.030 0.000 0.767 354 Q CB 0.392 29.165 28.738 0.059 0.000 1.469 354 Q HN 0.085 nan 8.270 nan 0.000 0.496 355 W N 2.424 123.723 121.300 -0.003 0.000 2.251 355 W HA 0.447 5.106 4.660 -0.001 0.000 0.329 355 W C -1.031 175.509 176.519 0.035 0.000 1.234 355 W CA 0.835 58.191 57.345 0.017 0.000 1.228 355 W CB 1.103 30.567 29.460 0.008 0.000 1.135 355 W HN 0.791 nan 8.180 nan 0.000 0.576 356 D N 3.446 123.239 120.400 -1.012 0.000 2.653 356 D HA 0.124 4.763 4.640 -0.001 0.000 0.258 356 D C -2.036 173.479 176.300 -1.308 0.000 1.252 356 D CA -0.551 52.907 54.000 -0.904 0.000 0.777 356 D CB 1.713 42.337 40.800 -0.294 0.000 1.339 356 D HN 0.311 nan 8.370 nan 0.000 0.422 357 D N 0.359 120.225 120.400 -0.890 0.000 2.420 357 D HA 0.339 4.978 4.640 -0.001 0.000 0.255 357 D C 1.061 177.190 176.300 -0.285 0.000 1.185 357 D CA -0.479 53.154 54.000 -0.612 0.000 0.904 357 D CB 1.215 41.717 40.800 -0.497 0.000 1.102 357 D HN 0.579 nan 8.370 nan 0.000 0.534 358 G N 3.154 111.814 108.800 -0.234 0.000 2.535 358 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.218 358 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.218 358 G C 0.944 175.766 174.900 -0.131 0.000 1.122 358 G CA 0.105 45.109 45.100 -0.160 0.000 0.769 358 G HN 0.408 nan 8.290 nan 0.000 0.549 359 N N 0.460 119.085 118.700 -0.126 0.000 2.294 359 N HA -0.004 4.736 4.740 -0.001 0.000 0.248 359 N C 0.638 176.086 175.510 -0.104 0.000 1.300 359 N CA -0.018 52.966 53.050 -0.111 0.000 0.925 359 N CB 0.053 38.491 38.487 -0.081 0.000 1.188 359 N HN 0.133 nan 8.380 nan 0.000 0.512 360 N N -0.590 118.041 118.700 -0.116 0.000 2.776 360 N HA -0.182 4.557 4.740 -0.001 0.000 0.250 360 N C -0.644 174.817 175.510 -0.081 0.000 1.112 360 N CA 0.285 53.276 53.050 -0.097 0.000 0.733 360 N CB -1.141 37.312 38.487 -0.056 0.000 1.097 360 N HN 0.392 nan 8.380 nan 0.000 0.558 361 V N -1.906 117.956 119.914 -0.087 0.000 2.732 361 V HA 0.677 4.796 4.120 -0.001 0.000 0.297 361 V C 0.913 177.040 176.094 0.055 0.000 1.060 361 V CA -0.624 61.636 62.300 -0.067 0.000 1.038 361 V CB 1.903 33.685 31.823 -0.068 0.000 1.003 361 V HN 0.016 nan 8.190 nan 0.000 0.481 362 V N 4.942 124.914 119.914 0.097 0.000 2.612 362 V HA 0.496 4.615 4.120 -0.001 0.000 0.301 362 V C 0.180 176.355 176.094 0.134 0.000 1.046 362 V CA -0.347 62.063 62.300 0.183 0.000 0.946 362 V CB 1.506 33.448 31.823 0.198 0.000 1.003 362 V HN 1.264 nan 8.190 nan 0.000 0.459 363 C N 5.795 125.180 119.300 0.142 0.000 2.401 363 C HA 0.455 4.914 4.460 -0.001 0.000 0.365 363 C C 1.395 176.421 174.990 0.061 0.000 1.250 363 C CA -0.459 58.616 59.018 0.095 0.000 2.131 363 C CB 0.247 28.051 27.740 0.106 0.000 2.445 363 C HN 0.955 nan 8.230 nan 0.000 0.550 364 L N 2.387 123.631 121.223 0.035 0.000 2.537 364 L HA 0.294 4.634 4.340 -0.001 0.000 0.224 364 L C 0.692 177.564 176.870 0.004 0.000 1.065 364 L CA 0.418 55.262 54.840 0.006 0.000 0.860 364 L CB -0.236 41.815 42.059 -0.013 0.000 1.086 364 L HN 0.843 nan 8.230 nan 0.000 0.482 365 E N -1.662 118.546 120.200 0.013 0.000 2.398 365 E HA 0.282 4.631 4.350 -0.001 0.000 0.280 365 E C -2.920 173.689 176.600 0.015 0.000 1.122 365 E CA -1.853 54.553 56.400 0.009 0.000 0.873 365 E CB 0.650 30.348 29.700 -0.004 0.000 1.294 365 E HN -0.316 nan 8.360 nan 0.000 0.435 366 P HA -0.017 nan 4.420 nan 0.000 0.263 366 P C 0.849 178.159 177.300 0.016 0.000 1.168 366 P CA 2.355 65.465 63.100 0.017 0.000 0.759 366 P CB 0.253 31.953 31.700 -0.001 0.000 0.782 367 G N 1.188 110.003 108.800 0.026 0.000 2.205 367 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.269 367 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.269 367 G C 0.042 174.949 174.900 0.010 0.000 0.977 367 G CA 0.236 45.346 45.100 0.017 0.000 0.652 367 G HN 0.554 nan 8.290 nan 0.000 0.539 368 V N 0.348 120.270 119.914 0.013 0.000 2.407 368 V HA 0.699 4.819 4.120 -0.001 0.000 0.291 368 V C 0.025 176.130 176.094 0.018 0.000 1.018 368 V CA -0.746 61.559 62.300 0.009 0.000 0.842 368 V CB 1.873 33.697 31.823 0.002 0.000 0.996 368 V HN 0.209 nan 8.190 nan 0.000 0.426 369 V N 5.083 125.007 119.914 0.017 0.000 2.914 369 V HA 0.560 4.679 4.120 -0.001 0.000 0.314 369 V C -0.521 175.592 176.094 0.031 0.000 1.084 369 V CA -0.687 61.628 62.300 0.026 0.000 0.963 369 V CB 2.804 34.634 31.823 0.012 0.000 1.025 369 V HN 0.564 nan 8.190 nan 0.000 0.432 370 V N 2.905 122.852 119.914 0.056 0.000 2.370 370 V HA 0.872 4.992 4.120 -0.001 0.000 0.283 370 V C 0.583 176.678 176.094 0.002 0.000 1.023 370 V CA 0.270 62.620 62.300 0.085 0.000 0.857 370 V CB 1.078 33.045 31.823 0.240 0.000 0.985 370 V HN 1.044 nan 8.190 nan 0.000 0.443 371 G N 2.941 111.726 108.800 -0.024 0.000 3.022 371 G HA2 0.595 4.554 3.960 -0.001 0.000 0.284 371 G HA3 0.595 4.554 3.960 -0.001 0.000 0.284 371 G C -1.717 173.150 174.900 -0.055 0.000 1.375 371 G CA -0.668 44.370 45.100 -0.104 0.000 0.902 371 G HN 0.447 nan 8.290 nan 0.000 0.538 372 Y N 0.853 121.138 120.300 -0.024 0.000 2.330 372 Y HA 0.172 4.721 4.550 -0.001 0.000 0.336 372 Y C 1.572 177.465 175.900 -0.012 0.000 1.036 372 Y CA -0.817 57.270 58.100 -0.022 0.000 1.125 372 Y CB 2.017 40.462 38.460 -0.025 0.000 1.194 372 Y HN 0.732 nan 8.280 nan 0.000 0.469 373 D N 2.658 123.171 120.400 0.189 0.000 2.182 373 D HA -0.252 4.387 4.640 -0.001 0.000 0.201 373 D C 1.629 177.968 176.300 0.065 0.000 0.986 373 D CA 1.368 55.424 54.000 0.094 0.000 0.847 373 D CB -0.184 40.657 40.800 0.069 0.000 0.942 373 D HN 0.704 nan 8.370 nan 0.000 0.467 374 R N 0.279 120.810 120.500 0.052 0.000 2.235 374 R HA 0.001 4.340 4.340 -0.001 0.000 0.213 374 R C 0.201 176.524 176.300 0.037 0.000 1.059 374 R CA 0.530 56.647 56.100 0.029 0.000 0.997 374 R CB -0.557 29.738 30.300 -0.009 0.000 0.884 374 R HN -0.049 nan 8.270 nan 0.000 0.462 375 N N 2.347 121.078 118.700 0.053 0.000 3.250 375 N HA -0.022 4.718 4.740 -0.001 0.000 0.307 375 N C 0.581 176.100 175.510 0.014 0.000 1.355 375 N CA 0.579 53.636 53.050 0.012 0.000 1.192 375 N CB 1.170 39.655 38.487 -0.003 0.000 1.478 375 N HN 0.382 nan 8.380 nan 0.000 0.543 376 T N -2.569 112.008 114.554 0.039 0.000 2.833 376 T HA -0.205 4.144 4.350 -0.001 0.000 0.269 376 T C 1.746 176.498 174.700 0.087 0.000 1.054 376 T CA 0.812 62.944 62.100 0.053 0.000 1.135 376 T CB -0.324 68.579 68.868 0.059 0.000 0.869 376 T HN 0.297 nan 8.240 nan 0.000 0.466 377 Y N 2.427 122.697 120.300 -0.050 0.000 2.109 377 Y HA -0.010 4.539 4.550 -0.001 0.000 0.285 377 Y C 2.717 178.581 175.900 -0.059 0.000 1.131 377 Y CA 1.659 59.726 58.100 -0.055 0.000 1.121 377 Y CB -0.957 37.458 38.460 -0.075 0.000 0.987 377 Y HN 0.223 nan 8.280 nan 0.000 0.495 378 T N 1.042 115.413 114.554 -0.305 0.000 2.788 378 T HA -0.166 4.184 4.350 -0.001 0.000 0.268 378 T C 1.671 176.220 174.700 -0.250 0.000 1.044 378 T CA 1.479 63.349 62.100 -0.383 0.000 1.139 378 T CB -0.304 68.420 68.868 -0.240 0.000 0.867 378 T HN 0.310 nan 8.240 nan 0.000 0.454 379 N N 0.653 119.269 118.700 -0.140 0.000 2.104 379 N HA -0.071 4.669 4.740 -0.001 0.000 0.190 379 N C 2.078 177.537 175.510 -0.084 0.000 1.024 379 N CA 1.325 54.325 53.050 -0.084 0.000 0.853 379 N CB -0.731 37.737 38.487 -0.031 0.000 1.008 379 N HN 0.309 nan 8.380 nan 0.000 0.424 380 T N 1.616 116.118 114.554 -0.087 0.000 2.643 380 T HA 0.005 4.354 4.350 -0.001 0.000 0.264 380 T C 2.034 176.668 174.700 -0.109 0.000 1.045 380 T CA 0.618 62.680 62.100 -0.063 0.000 1.155 380 T CB -0.410 68.451 68.868 -0.011 0.000 0.863 380 T HN 0.132 nan 8.240 nan 0.000 0.420 381 L N 0.567 121.662 121.223 -0.214 0.000 2.151 381 L HA -0.168 4.172 4.340 -0.001 0.000 0.215 381 L C 2.398 179.180 176.870 -0.145 0.000 1.084 381 L CA 0.912 55.618 54.840 -0.223 0.000 0.764 381 L CB -0.539 41.292 42.059 -0.381 0.000 0.891 381 L HN 0.249 nan 8.230 nan 0.000 0.435 382 L N -0.601 120.542 121.223 -0.133 0.000 2.179 382 L HA -0.089 4.250 4.340 -0.001 0.000 0.208 382 L C 2.628 179.461 176.870 -0.061 0.000 1.096 382 L CA 1.518 56.303 54.840 -0.092 0.000 0.779 382 L CB -0.765 41.242 42.059 -0.087 0.000 0.922 382 L HN 0.135 nan 8.230 nan 0.000 0.443 383 R N -0.585 119.882 120.500 -0.055 0.000 2.066 383 R HA -0.167 4.172 4.340 -0.001 0.000 0.232 383 R C 2.190 178.472 176.300 -0.030 0.000 1.131 383 R CA 1.306 57.386 56.100 -0.034 0.000 0.955 383 R CB -0.202 30.083 30.300 -0.025 0.000 0.851 383 R HN 0.166 nan 8.270 nan 0.000 0.432 384 K N 0.605 120.983 120.400 -0.036 0.000 2.103 384 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 384 K C 1.704 178.288 176.600 -0.026 0.000 1.048 384 K CA 1.479 57.750 56.287 -0.027 0.000 0.930 384 K CB -0.049 32.435 32.500 -0.027 0.000 0.716 384 K HN 0.180 nan 8.250 nan 0.000 0.444 385 A N -0.303 122.495 122.820 -0.036 0.000 2.239 385 A HA 0.148 4.467 4.320 -0.001 0.000 0.209 385 A C 1.283 178.855 177.584 -0.020 0.000 1.171 385 A CA 0.975 52.993 52.037 -0.031 0.000 0.768 385 A CB -0.497 18.477 19.000 -0.044 0.000 0.790 385 A HN 0.566 nan 8.150 nan 0.000 0.478 386 G N -2.263 106.526 108.800 -0.018 0.000 2.159 386 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.227 386 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.227 386 G C 0.049 174.943 174.900 -0.010 0.000 0.986 386 G CA 0.018 45.111 45.100 -0.011 0.000 0.651 386 G HN 0.745 nan 8.290 nan 0.000 0.523 387 V N 1.033 120.938 119.914 -0.016 0.000 2.472 387 V HA 0.484 4.604 4.120 -0.001 0.000 0.290 387 V C 0.648 176.735 176.094 -0.012 0.000 1.037 387 V CA -0.704 61.589 62.300 -0.012 0.000 0.908 387 V CB 1.882 33.696 31.823 -0.016 0.000 0.985 387 V HN 0.370 nan 8.190 nan 0.000 0.454 388 E N 3.360 123.556 120.200 -0.007 0.000 2.223 388 E HA 0.317 4.667 4.350 -0.001 0.000 0.282 388 E C -1.282 175.316 176.600 -0.004 0.000 1.046 388 E CA -0.289 56.108 56.400 -0.006 0.000 0.857 388 E CB 1.277 30.975 29.700 -0.004 0.000 1.055 388 E HN 0.486 nan 8.360 nan 0.000 0.409 389 V N 7.324 127.236 119.914 -0.005 0.000 2.328 389 V HA 0.290 4.410 4.120 -0.001 0.000 0.278 389 V C 0.175 176.274 176.094 0.009 0.000 1.021 389 V CA -0.527 61.773 62.300 -0.001 0.000 0.838 389 V CB 1.073 32.891 31.823 -0.009 0.000 0.999 389 V HN 0.635 nan 8.190 nan 0.000 0.447 390 I N 5.497 126.078 120.570 0.018 0.000 2.312 390 I HA 0.369 4.538 4.170 -0.001 0.000 0.290 390 I C 0.818 176.965 176.117 0.049 0.000 1.008 390 I CA -0.049 61.267 61.300 0.028 0.000 1.226 390 I CB 1.791 39.806 38.000 0.025 0.000 1.371 390 I HN 0.704 nan 8.210 nan 0.000 0.468 391 T N 5.052 119.639 114.554 0.054 0.000 2.923 391 T HA 0.844 5.193 4.350 -0.001 0.000 0.281 391 T C -0.234 174.529 174.700 0.105 0.000 0.995 391 T CA -0.679 61.468 62.100 0.078 0.000 0.985 391 T CB 2.264 71.177 68.868 0.076 0.000 1.114 391 T HN 0.568 nan 8.240 nan 0.000 0.548 392 I N -2.656 118.001 120.570 0.146 0.000 3.181 392 I HA 0.692 4.862 4.170 -0.001 0.000 0.311 392 I C -0.620 175.610 176.117 0.187 0.000 1.287 392 I CA -1.207 60.188 61.300 0.160 0.000 0.958 392 I CB 2.037 40.145 38.000 0.179 0.000 1.294 392 I HN 0.692 nan 8.210 nan 0.000 0.467 393 S N 1.700 117.471 115.700 0.118 0.000 2.523 393 S HA 0.655 5.124 4.470 -0.001 0.000 0.275 393 S C 0.572 175.129 174.600 -0.072 0.000 1.281 393 S CA 0.158 58.380 58.200 0.037 0.000 1.050 393 S CB 1.191 64.399 63.200 0.014 0.000 0.937 393 S HN 0.889 nan 8.310 nan 0.000 0.492 394 A N 4.155 126.793 122.820 -0.304 0.000 2.423 394 A HA 0.309 4.628 4.320 -0.001 0.000 0.246 394 A C 1.797 179.203 177.584 -0.296 0.000 1.278 394 A CA -0.014 51.621 52.037 -0.671 0.000 0.903 394 A CB -0.367 17.860 19.000 -1.289 0.000 0.997 394 A HN 0.763 nan 8.150 nan 0.000 0.510 395 S N 0.443 116.066 115.700 -0.127 0.000 2.368 395 S HA -0.116 4.353 4.470 -0.001 0.000 0.225 395 S C 1.683 176.290 174.600 0.011 0.000 1.030 395 S CA 1.653 59.834 58.200 -0.032 0.000 0.999 395 S CB -0.032 63.183 63.200 0.024 0.000 0.844 395 S HN 0.648 nan 8.310 nan 0.000 0.459 396 E N 0.272 120.479 120.200 0.013 0.000 2.290 396 E HA 0.221 4.570 4.350 -0.001 0.000 0.199 396 E C 2.004 178.648 176.600 0.074 0.000 0.912 396 E CA 0.085 56.524 56.400 0.065 0.000 0.924 396 E CB -0.381 29.356 29.700 0.063 0.000 0.901 396 E HN 0.296 nan 8.360 nan 0.000 0.487 397 L N 0.545 121.791 121.223 0.039 0.000 2.141 397 L HA 0.029 4.368 4.340 -0.001 0.000 0.209 397 L C 2.136 179.087 176.870 0.135 0.000 1.094 397 L CA 1.765 56.677 54.840 0.121 0.000 0.763 397 L CB -1.511 40.651 42.059 0.172 0.000 0.908 397 L HN 0.159 nan 8.230 nan 0.000 0.437 398 G N -0.478 108.252 108.800 -0.117 0.000 2.848 398 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.208 398 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.208 398 G C 1.344 176.239 174.900 -0.009 0.000 1.152 398 G CA -0.277 44.723 45.100 -0.166 0.000 0.789 398 G HN 0.309 nan 8.290 nan 0.000 0.531 399 R N 0.560 121.085 120.500 0.042 0.000 3.298 399 R HA 0.228 4.567 4.340 -0.001 0.000 0.249 399 R C 1.357 177.676 176.300 0.032 0.000 1.563 399 R CA 0.303 56.439 56.100 0.060 0.000 1.378 399 R CB 0.151 30.519 30.300 0.113 0.000 1.250 399 R HN 0.253 nan 8.270 nan 0.000 0.580 400 G N -0.127 108.700 108.800 0.046 0.000 3.738 400 G HA2 0.014 3.973 3.960 -0.001 0.000 0.241 400 G HA3 0.014 3.973 3.960 -0.001 0.000 0.241 400 G C 0.413 175.278 174.900 -0.059 0.000 1.068 400 G CA -0.412 44.686 45.100 -0.003 0.000 0.899 400 G HN 0.306 nan 8.290 nan 0.000 0.519 401 R N -1.056 119.451 120.500 0.013 0.000 4.070 401 R HA -0.205 4.134 4.340 -0.001 0.000 0.439 401 R C 1.299 177.611 176.300 0.021 0.000 0.831 401 R CA 1.422 57.535 56.100 0.021 0.000 1.684 401 R CB -2.043 28.241 30.300 -0.026 0.000 2.331 401 R HN 0.656 nan 8.270 nan 0.000 0.477 402 G N 0.105 108.848 108.800 -0.095 0.000 2.467 402 G HA2 0.526 4.485 3.960 -0.001 0.000 0.257 402 G HA3 0.526 4.485 3.960 -0.001 0.000 0.257 402 G C 0.514 175.485 174.900 0.119 0.000 1.227 402 G CA 0.040 45.045 45.100 -0.158 0.000 0.835 402 G HN 0.322 nan 8.290 nan 0.000 0.556 403 G N -0.108 108.701 108.800 0.015 0.000 2.857 403 G HA2 0.467 4.426 3.960 -0.001 0.000 0.217 403 G HA3 0.467 4.426 3.960 -0.001 0.000 0.217 403 G C 1.273 176.050 174.900 -0.205 0.000 1.357 403 G CA 0.266 45.242 45.100 -0.207 0.000 1.033 403 G HN 0.907 nan 8.290 nan 0.000 0.571 404 G N -1.620 106.949 108.800 -0.386 0.000 2.448 404 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 404 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 404 G C 1.440 176.366 174.900 0.044 0.000 1.127 404 G CA 1.241 46.181 45.100 -0.268 0.000 0.766 404 G HN 0.594 nan 8.290 nan 0.000 0.552 405 H N -0.477 118.574 119.070 -0.031 0.000 2.428 405 H HA -0.026 4.529 4.556 -0.001 0.000 0.296 405 H C 2.070 177.440 175.328 0.070 0.000 1.062 405 H CA 1.164 57.238 56.048 0.042 0.000 1.350 405 H CB 0.069 29.846 29.762 0.026 0.000 1.403 405 H HN 0.322 nan 8.280 nan 0.000 0.533 406 C N 0.372 119.772 119.300 0.166 0.000 2.485 406 C HA 0.052 4.512 4.460 -0.001 0.000 0.277 406 C C 2.462 177.672 174.990 0.367 0.000 1.376 406 C CA 0.196 59.307 59.018 0.156 0.000 1.759 406 C CB -0.616 27.088 27.740 -0.061 0.000 1.970 406 C HN 0.515 nan 8.230 nan 0.000 0.509 407 M N 0.832 120.631 119.600 0.332 0.000 2.568 407 M HA 0.070 4.549 4.480 -0.001 0.000 0.226 407 M C 0.339 176.816 176.300 0.294 0.000 1.148 407 M CA 0.569 56.071 55.300 0.336 0.000 1.007 407 M CB -0.591 32.148 32.600 0.231 0.000 1.651 407 M HN 0.510 nan 8.290 nan 0.000 0.488 408 T N -2.580 112.094 114.554 0.200 0.000 2.912 408 T HA 0.410 4.760 4.350 -0.001 0.000 0.299 408 T C -0.954 173.783 174.700 0.062 0.000 1.052 408 T CA -0.955 61.235 62.100 0.150 0.000 0.996 408 T CB 2.349 71.302 68.868 0.142 0.000 1.070 408 T HN 0.225 nan 8.240 nan 0.000 0.465 409 C N 4.625 123.973 119.300 0.079 0.000 2.437 409 C HA 0.591 5.051 4.460 -0.001 0.000 0.307 409 C C -2.776 172.247 174.990 0.056 0.000 1.093 409 C CA -1.911 57.164 59.018 0.095 0.000 1.463 409 C CB -0.614 27.227 27.740 0.168 0.000 1.926 409 C HN 0.717 nan 8.230 nan 0.000 0.420 410 P HA 0.152 nan 4.420 nan 0.000 0.265 410 P C 0.451 177.663 177.300 -0.147 0.000 1.187 410 P CA 0.681 63.759 63.100 -0.036 0.000 0.766 410 P CB 0.556 32.249 31.700 -0.012 0.000 0.820 411 I N 1.316 121.714 120.570 -0.287 0.000 3.812 411 I HA 0.065 4.234 4.170 -0.001 0.000 0.292 411 I C 0.083 175.915 176.117 -0.474 0.000 1.206 411 I CA 0.449 61.335 61.300 -0.691 0.000 1.370 411 I CB 0.591 38.165 38.000 -0.711 0.000 1.328 411 I HN 0.012 nan 8.210 nan 0.000 0.453 412 V N 2.021 121.787 119.914 -0.246 0.000 2.577 412 V HA 0.533 4.652 4.120 -0.001 0.000 0.303 412 V C -0.619 175.454 176.094 -0.035 0.000 1.042 412 V CA -0.549 61.681 62.300 -0.118 0.000 0.872 412 V CB 2.118 33.874 31.823 -0.113 0.000 0.998 412 V HN 0.261 nan 8.190 nan 0.000 0.423 413 R N 2.781 123.312 120.500 0.052 0.000 2.560 413 R HA 0.332 4.671 4.340 -0.001 0.000 0.267 413 R C -1.612 174.795 176.300 0.179 0.000 1.150 413 R CA -0.556 55.589 56.100 0.075 0.000 0.997 413 R CB 1.733 32.062 30.300 0.047 0.000 1.250 413 R HN 0.734 nan 8.270 nan 0.000 0.433 414 D N 5.263 125.736 120.400 0.121 0.000 2.360 414 D HA 0.242 4.881 4.640 -0.001 0.000 0.242 414 D C -1.983 174.393 176.300 0.128 0.000 1.184 414 D CA -1.012 53.057 54.000 0.115 0.000 0.930 414 D CB 0.871 41.691 40.800 0.033 0.000 1.161 414 D HN 0.357 nan 8.370 nan 0.000 0.447 415 P HA 0.523 nan 4.420 nan 0.000 0.325 415 P C -0.457 176.842 177.300 -0.001 0.000 1.298 415 P CA -0.504 62.659 63.100 0.105 0.000 0.771 415 P CB 1.520 33.293 31.700 0.122 0.000 1.389 416 I N -1.773 118.761 120.570 -0.060 0.000 3.006 416 I HA 0.284 4.453 4.170 -0.001 0.000 0.306 416 I C -0.776 175.150 176.117 -0.319 0.000 1.250 416 I CA -1.045 60.123 61.300 -0.219 0.000 0.996 416 I CB 1.915 39.699 38.000 -0.360 0.000 1.261 416 I HN 0.073 nan 8.210 nan 0.000 0.442 417 D N 3.669 123.878 120.400 -0.318 0.000 2.346 417 D HA 0.274 4.913 4.640 -0.001 0.000 0.260 417 D C -0.882 175.222 176.300 -0.327 0.000 1.252 417 D CA 0.733 54.590 54.000 -0.238 0.000 0.895 417 D CB 0.417 41.131 40.800 -0.142 0.000 1.097 417 D HN 0.324 nan 8.370 nan 0.000 0.489 418 Y N 0.000 120.301 120.300 0.001 0.000 2.660 418 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 418 Y CA 0.000 58.103 58.100 0.004 0.000 1.940 418 Y CB 0.000 38.465 38.460 0.008 0.000 1.050 418 Y HN 0.000 nan 8.280 nan 0.000 0.758