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 3e30_1_B DATA FIRST_RESID 17 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL DATA SEQUENCE QKPVPGF 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 17 P HA 0.000 nan 4.420 nan 0.000 0.216 17 P C 0.000 177.110 177.300 -0.316 0.000 1.155 17 P CA 0.000 62.930 63.100 -0.283 0.000 0.800 17 P CB 0.000 31.361 31.700 -0.566 0.000 0.726 18 V N 1.123 120.971 119.914 -0.110 0.000 2.515 18 V HA -0.070 4.050 4.120 -0.000 0.000 0.250 18 V C 1.305 177.389 176.094 -0.017 0.000 1.058 18 V CA 1.863 64.143 62.300 -0.033 0.000 1.064 18 V CB -0.476 31.387 31.823 0.068 0.000 0.675 18 V HN 0.690 nan 8.190 nan 0.000 0.461 19 W N -0.092 121.202 121.300 -0.010 0.000 2.937 19 W HA 0.267 4.927 4.660 -0.000 0.000 0.245 19 W C 0.561 177.070 176.519 -0.017 0.000 1.306 19 W CA 0.079 57.418 57.345 -0.011 0.000 1.470 19 W CB -1.273 28.183 29.460 -0.007 0.000 1.132 19 W HN 0.292 nan 8.180 nan 0.000 0.675 20 S N 2.067 117.385 115.700 -0.636 0.000 2.499 20 S HA 0.141 4.611 4.470 -0.000 0.000 0.275 20 S C -0.285 174.148 174.600 -0.278 0.000 1.257 20 S CA -0.198 57.629 58.200 -0.622 0.000 1.050 20 S CB 1.482 64.216 63.200 -0.776 0.000 0.937 20 S HN 0.105 nan 8.310 nan 0.000 0.490 21 E N 4.495 124.583 120.200 -0.188 0.000 2.152 21 E HA 0.244 4.594 4.350 -0.000 0.000 0.285 21 E C -1.570 174.940 176.600 -0.149 0.000 1.043 21 E CA -2.010 54.304 56.400 -0.142 0.000 0.839 21 E CB 0.775 30.406 29.700 -0.116 0.000 1.069 21 E HN 0.221 nan 8.360 nan 0.000 0.399 22 P HA -0.033 nan 4.420 nan 0.000 0.229 22 P C -0.124 177.114 177.300 -0.103 0.000 1.160 22 P CA 0.528 63.557 63.100 -0.118 0.000 0.777 22 P CB 0.329 31.962 31.700 -0.113 0.000 0.814 23 L N -0.069 121.071 121.223 -0.137 0.000 2.265 23 L HA 0.200 4.540 4.340 -0.000 0.000 0.288 23 L C 1.826 178.591 176.870 -0.176 0.000 1.058 23 L CA -0.778 53.969 54.840 -0.155 0.000 0.809 23 L CB 0.640 42.566 42.059 -0.223 0.000 1.179 23 L HN -0.156 nan 8.230 nan 0.000 0.429 24 Y N 2.698 122.845 120.300 -0.255 0.000 2.207 24 Y HA -0.279 4.271 4.550 0.000 0.000 0.287 24 Y C 2.309 177.896 175.900 -0.522 0.000 1.156 24 Y CA 2.033 59.967 58.100 -0.276 0.000 1.182 24 Y CB 0.307 38.649 38.460 -0.196 0.000 0.979 24 Y HN 0.659 nan 8.280 nan 0.000 0.521 25 S N 0.122 115.378 115.700 -0.740 0.000 2.481 25 S HA -0.016 4.454 4.470 -0.000 0.000 0.231 25 S C 1.608 175.425 174.600 -1.304 0.000 0.996 25 S CA 1.105 58.376 58.200 -1.548 0.000 0.942 25 S CB -0.190 61.901 63.200 -1.848 0.000 0.768 25 S HN 0.471 nan 8.310 nan 0.000 0.520 26 L N 0.245 121.035 121.223 -0.721 0.000 2.585 26 L HA 0.246 4.586 4.340 -0.000 0.000 0.226 26 L C 0.723 177.440 176.870 -0.256 0.000 1.113 26 L CA -0.055 54.537 54.840 -0.413 0.000 0.876 26 L CB -0.117 41.769 42.059 -0.289 0.000 1.072 26 L HN 0.063 nan 8.230 nan 0.000 0.468 27 R N 1.101 121.432 120.500 -0.282 0.000 2.734 27 R HA 0.024 4.364 4.340 -0.000 0.000 0.266 27 R C -1.361 174.901 176.300 -0.063 0.000 1.044 27 R CA -1.122 54.888 56.100 -0.150 0.000 1.128 27 R CB 0.191 30.391 30.300 -0.167 0.000 1.010 27 R HN -0.158 nan 8.270 nan 0.000 0.461 28 P HA -0.099 nan 4.420 nan 0.000 0.219 28 P C 0.131 177.452 177.300 0.034 0.000 1.150 28 P CA 1.030 64.147 63.100 0.029 0.000 0.814 28 P CB 0.297 32.024 31.700 0.045 0.000 0.787 29 E N -1.405 118.805 120.200 0.016 0.000 2.160 29 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 29 E C 1.896 178.495 176.600 -0.002 0.000 0.991 29 E CA 1.040 57.444 56.400 0.006 0.000 0.810 29 E CB -1.248 28.449 29.700 -0.005 0.000 0.742 29 E HN 0.399 nan 8.360 nan 0.000 0.466 30 H N 0.478 119.467 119.070 -0.134 0.000 2.431 30 H HA -0.120 4.436 4.556 0.000 0.000 0.297 30 H C 1.853 177.210 175.328 0.049 0.000 1.115 30 H CA 1.663 57.620 56.048 -0.152 0.000 1.277 30 H CB -0.207 29.378 29.762 -0.296 0.000 1.372 30 H HN 0.225 nan 8.280 nan 0.000 0.516 31 A N 0.610 123.493 122.820 0.105 0.000 2.070 31 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 31 A C 2.305 179.906 177.584 0.027 0.000 1.159 31 A CA 1.397 53.503 52.037 0.115 0.000 0.656 31 A CB -0.373 18.687 19.000 0.100 0.000 0.800 31 A HN 0.486 nan 8.150 nan 0.000 0.453 32 R N -0.242 120.254 120.500 -0.007 0.000 2.237 32 R HA -0.053 4.287 4.340 -0.000 0.000 0.219 32 R C 0.699 176.974 176.300 -0.041 0.000 1.080 32 R CA 0.926 57.012 56.100 -0.023 0.000 0.995 32 R CB -0.076 30.214 30.300 -0.017 0.000 0.875 32 R HN 0.438 nan 8.270 nan 0.000 0.462 33 E N 0.692 120.852 120.200 -0.066 0.000 2.502 33 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 33 E C 0.331 176.921 176.600 -0.017 0.000 1.062 33 E CA 0.205 56.575 56.400 -0.049 0.000 0.867 33 E CB 0.072 29.680 29.700 -0.153 0.000 0.888 33 E HN 0.113 nan 8.360 nan 0.000 0.510 34 R N 0.675 121.109 120.500 -0.110 0.000 2.774 34 R HA 0.092 4.432 4.340 -0.000 0.000 0.269 34 R C 0.548 176.749 176.300 -0.165 0.000 1.068 34 R CA -0.690 55.240 56.100 -0.283 0.000 1.180 34 R CB 0.130 30.251 30.300 -0.299 0.000 1.077 34 R HN 0.060 nan 8.270 nan 0.000 0.513 35 L N 1.835 122.951 121.223 -0.179 0.000 2.499 35 L HA -0.026 4.314 4.340 -0.000 0.000 0.273 35 L C -0.161 176.664 176.870 -0.076 0.000 1.195 35 L CA 0.973 55.751 54.840 -0.103 0.000 0.882 35 L CB 0.276 42.278 42.059 -0.096 0.000 1.133 35 L HN 0.378 nan 8.230 nan 0.000 0.483 36 Q N 3.681 123.450 119.800 -0.050 0.000 2.398 36 Q HA 0.178 4.518 4.340 -0.000 0.000 0.251 36 Q C -0.182 175.801 176.000 -0.027 0.000 0.999 36 Q CA -0.301 55.480 55.803 -0.036 0.000 0.874 36 Q CB 0.997 29.718 28.738 -0.027 0.000 1.215 36 Q HN 0.721 nan 8.270 nan 0.000 0.470 37 D N 2.041 122.425 120.400 -0.027 0.000 2.340 37 D HA -0.067 4.573 4.640 -0.000 0.000 0.217 37 D C -0.421 175.872 176.300 -0.013 0.000 1.081 37 D CA -0.068 53.920 54.000 -0.020 0.000 0.842 37 D CB 0.295 41.082 40.800 -0.022 0.000 0.934 37 D HN 0.435 nan 8.370 nan 0.000 0.511 38 D N 0.067 120.460 120.400 -0.012 0.000 2.955 38 D HA -0.234 4.406 4.640 -0.000 0.000 0.226 38 D C -0.003 176.293 176.300 -0.007 0.000 1.178 38 D CA 1.123 55.118 54.000 -0.008 0.000 0.808 38 D CB -1.805 38.993 40.800 -0.005 0.000 1.099 38 D HN 0.264 nan 8.370 nan 0.000 0.421 39 S N -2.748 112.947 115.700 -0.010 0.000 3.358 39 S HA -0.241 4.229 4.470 -0.000 0.000 0.309 39 S C 0.328 174.924 174.600 -0.006 0.000 1.247 39 S CA 1.008 59.203 58.200 -0.008 0.000 0.961 39 S CB -0.715 62.481 63.200 -0.007 0.000 1.074 39 S HN 0.381 nan 8.310 nan 0.000 0.625 40 V N 1.873 121.784 119.914 -0.005 0.000 2.328 40 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 40 V C 0.361 176.453 176.094 -0.003 0.000 1.021 40 V CA -0.489 61.810 62.300 -0.003 0.000 0.838 40 V CB 1.496 33.319 31.823 -0.001 0.000 0.999 40 V HN 0.289 nan 8.190 nan 0.000 0.447 41 E N 3.208 123.406 120.200 -0.003 0.000 2.227 41 E HA 0.614 4.964 4.350 -0.000 0.000 0.282 41 E C 0.019 176.620 176.600 0.001 0.000 1.015 41 E CA -0.286 56.112 56.400 -0.003 0.000 0.823 41 E CB 1.927 31.624 29.700 -0.004 0.000 1.081 41 E HN 0.851 nan 8.360 nan 0.000 0.396 42 T N -2.032 112.523 114.554 0.002 0.000 2.812 42 T HA 0.200 4.550 4.350 -0.000 0.000 0.294 42 T C 0.996 175.700 174.700 0.007 0.000 1.159 42 T CA -0.799 61.304 62.100 0.006 0.000 1.008 42 T CB 0.945 69.819 68.868 0.010 0.000 1.289 42 T HN 0.100 nan 8.240 nan 0.000 0.514 43 V N 1.217 121.138 119.914 0.011 0.000 2.324 43 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 43 V C 2.934 179.036 176.094 0.013 0.000 1.060 43 V CA 2.855 65.162 62.300 0.012 0.000 1.042 43 V CB -1.385 30.448 31.823 0.016 0.000 0.650 43 V HN 1.110 nan 8.190 nan 0.000 0.450 44 T N 0.245 114.808 114.554 0.016 0.000 2.684 44 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 44 T C 2.089 176.793 174.700 0.008 0.000 1.036 44 T CA 2.035 64.145 62.100 0.016 0.000 1.148 44 T CB -0.353 68.527 68.868 0.020 0.000 0.863 44 T HN 0.763 nan 8.240 nan 0.000 0.436 45 S N 1.346 117.047 115.700 0.002 0.000 2.387 45 S HA 0.029 4.499 4.470 -0.000 0.000 0.226 45 S C 2.129 176.722 174.600 -0.011 0.000 1.026 45 S CA 0.513 58.709 58.200 -0.007 0.000 0.972 45 S CB -0.763 62.431 63.200 -0.010 0.000 0.814 45 S HN 0.491 nan 8.310 nan 0.000 0.477 46 I N 1.908 122.474 120.570 -0.006 0.000 2.151 46 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 46 I C 2.897 179.010 176.117 -0.006 0.000 1.080 46 I CA 1.632 62.927 61.300 -0.008 0.000 1.339 46 I CB -0.461 37.538 38.000 -0.003 0.000 1.039 46 I HN 0.295 nan 8.210 nan 0.000 0.409 47 E N 0.357 120.557 120.200 0.001 0.000 2.106 47 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 47 E C 2.034 178.636 176.600 0.003 0.000 0.984 47 E CA 1.138 57.542 56.400 0.006 0.000 0.806 47 E CB -0.308 29.401 29.700 0.015 0.000 0.750 47 E HN 0.441 nan 8.360 nan 0.000 0.458 48 Q N 0.851 120.650 119.800 -0.002 0.000 2.119 48 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 48 Q C 1.897 177.880 176.000 -0.028 0.000 0.972 48 Q CA 1.803 57.601 55.803 -0.009 0.000 0.847 48 Q CB -0.339 28.390 28.738 -0.014 0.000 0.903 48 Q HN 0.190 nan 8.270 nan 0.000 0.433 49 A N 0.423 123.221 122.820 -0.036 0.000 1.930 49 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 49 A C 1.974 179.530 177.584 -0.046 0.000 1.175 49 A CA 1.535 53.538 52.037 -0.057 0.000 0.627 49 A CB -0.408 18.561 19.000 -0.051 0.000 0.815 49 A HN 0.397 nan 8.150 nan 0.000 0.443 50 K N -0.432 119.954 120.400 -0.024 0.000 2.032 50 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 50 K C 1.868 178.464 176.600 -0.007 0.000 1.048 50 K CA 1.570 57.849 56.287 -0.014 0.000 0.927 50 K CB -0.409 32.088 32.500 -0.005 0.000 0.712 50 K HN 0.294 nan 8.250 nan 0.000 0.441 51 V N 1.771 121.687 119.914 0.003 0.000 2.343 51 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 51 V C 2.006 178.120 176.094 0.034 0.000 1.051 51 V CA 1.762 64.077 62.300 0.026 0.000 1.036 51 V CB -0.395 31.454 31.823 0.044 0.000 0.654 51 V HN 0.339 nan 8.190 nan 0.000 0.451 52 E N -0.439 119.758 120.200 -0.005 0.000 2.110 52 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 52 E C 2.281 178.852 176.600 -0.050 0.000 0.988 52 E CA 1.193 57.561 56.400 -0.055 0.000 0.804 52 E CB -0.091 29.433 29.700 -0.292 0.000 0.745 52 E HN 0.630 nan 8.360 nan 0.000 0.458 53 E N 0.841 121.011 120.200 -0.051 0.000 2.072 53 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 53 E C 2.004 178.613 176.600 0.015 0.000 0.985 53 E CA 0.941 57.330 56.400 -0.019 0.000 0.801 53 E CB 0.125 29.812 29.700 -0.021 0.000 0.750 53 E HN -0.081 nan 8.360 nan 0.000 0.452 54 K N 0.651 121.056 120.400 0.008 0.000 2.097 54 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 54 K C 1.852 178.435 176.600 -0.029 0.000 1.050 54 K CA 0.850 57.135 56.287 -0.003 0.000 0.938 54 K CB -0.058 32.440 32.500 -0.003 0.000 0.718 54 K HN 0.088 nan 8.250 nan 0.000 0.442 55 I N 0.808 121.367 120.570 -0.018 0.000 2.439 55 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 55 I C 2.190 178.136 176.117 -0.284 0.000 1.139 55 I CA 1.057 62.254 61.300 -0.172 0.000 1.438 55 I CB -1.091 36.874 38.000 -0.058 0.000 1.085 55 I HN 0.329 nan 8.210 nan 0.000 0.427 56 Q N 1.713 121.564 119.800 0.083 0.000 2.084 56 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 56 Q C 2.002 178.067 176.000 0.108 0.000 0.978 56 Q CA 1.778 57.721 55.803 0.234 0.000 0.844 56 Q CB -0.109 28.802 28.738 0.289 0.000 0.898 56 Q HN 0.498 nan 8.270 nan 0.000 0.426 57 E N -0.950 119.283 120.200 0.055 0.000 2.085 57 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 57 E C 1.980 178.576 176.600 -0.006 0.000 0.994 57 E CA 1.503 57.938 56.400 0.057 0.000 0.801 57 E CB -0.068 29.660 29.700 0.047 0.000 0.743 57 E HN 0.207 nan 8.360 nan 0.000 0.453 58 V N 0.914 120.778 119.914 -0.083 0.000 2.287 58 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 58 V C 2.017 178.138 176.094 0.044 0.000 1.053 58 V CA 1.807 64.050 62.300 -0.095 0.000 1.027 58 V CB -0.643 31.076 31.823 -0.173 0.000 0.646 58 V HN 0.280 nan 8.190 nan 0.000 0.447 59 F N 0.121 120.092 119.950 0.035 0.000 2.134 59 F HA -0.174 4.353 4.527 0.000 0.000 0.299 59 F C 2.624 178.421 175.800 -0.005 0.000 1.097 59 F CA 1.282 59.299 58.000 0.027 0.000 1.264 59 F CB -0.257 38.728 39.000 -0.024 0.000 1.001 59 F HN 0.093 nan 8.300 nan 0.000 0.479 60 S N -0.431 115.315 115.700 0.077 0.000 2.522 60 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 60 S C 2.065 176.432 174.600 -0.388 0.000 0.986 60 S CA 0.833 58.873 58.200 -0.267 0.000 0.929 60 S CB -0.305 62.606 63.200 -0.481 0.000 0.769 60 S HN 0.429 nan 8.310 nan 0.000 0.529 61 S N 0.791 116.382 115.700 -0.183 0.000 2.400 61 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 61 S C 1.552 175.999 174.600 -0.256 0.000 1.025 61 S CA 1.008 59.083 58.200 -0.208 0.000 0.993 61 S CB -0.788 62.246 63.200 -0.277 0.000 0.808 61 S HN 0.597 nan 8.310 nan 0.000 0.478 62 Y N 2.295 122.535 120.300 -0.099 0.000 2.163 62 Y HA 0.001 4.551 4.550 0.000 0.000 0.288 62 Y C 2.728 178.557 175.900 -0.119 0.000 1.136 62 Y CA 1.482 59.533 58.100 -0.080 0.000 1.147 62 Y CB -0.360 38.063 38.460 -0.062 0.000 0.987 62 Y HN 0.265 nan 8.280 nan 0.000 0.509 63 K N 0.414 120.786 120.400 -0.046 0.000 2.057 63 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 63 K C 1.798 178.285 176.600 -0.188 0.000 1.049 63 K CA 1.728 57.933 56.287 -0.136 0.000 0.931 63 K CB -0.566 31.789 32.500 -0.242 0.000 0.714 63 K HN 0.358 nan 8.250 nan 0.000 0.440 64 F N 1.044 120.882 119.950 -0.186 0.000 2.325 64 F HA -0.065 4.462 4.527 0.000 0.000 0.299 64 F C 1.855 177.368 175.800 -0.478 0.000 1.090 64 F CA 0.060 57.881 58.000 -0.298 0.000 1.392 64 F CB 0.022 38.939 39.000 -0.139 0.000 1.053 64 F HN 0.119 nan 8.300 nan 0.000 0.521 65 N N -0.984 117.623 118.700 -0.155 0.000 2.353 65 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 65 N C -0.355 175.141 175.510 -0.022 0.000 1.098 65 N CA 0.494 53.489 53.050 -0.091 0.000 0.872 65 N CB -0.289 38.179 38.487 -0.031 0.000 0.970 65 N HN 0.288 nan 8.380 nan 0.000 0.467 66 H N -0.447 118.684 119.070 0.103 0.000 2.827 66 H HA -0.134 4.422 4.556 -0.000 0.000 0.330 66 H C -0.530 174.845 175.328 0.079 0.000 1.236 66 H CA 0.549 56.649 56.048 0.086 0.000 1.165 66 H CB -2.132 27.674 29.762 0.073 0.000 1.532 66 H HN 0.212 nan 8.280 nan 0.000 0.434 67 L N -0.490 120.828 121.223 0.157 0.000 2.350 67 L HA 0.568 4.908 4.340 -0.000 0.000 0.260 67 L C 0.496 177.450 176.870 0.140 0.000 1.015 67 L CA -1.297 53.632 54.840 0.149 0.000 0.821 67 L CB 2.490 44.645 42.059 0.160 0.000 1.370 67 L HN 0.070 nan 8.230 nan 0.000 0.416 68 V N 1.797 121.761 119.914 0.084 0.000 2.461 68 V HA 0.427 4.547 4.120 -0.000 0.000 0.275 68 V C -2.135 173.924 176.094 -0.058 0.000 1.047 68 V CA -1.351 60.954 62.300 0.008 0.000 0.955 68 V CB 0.856 32.672 31.823 -0.012 0.000 0.988 68 V HN 0.584 nan 8.190 nan 0.000 0.471 69 P HA 0.290 nan 4.420 nan 0.000 0.266 69 P C -1.187 175.917 177.300 -0.328 0.000 1.195 69 P CA 0.109 62.791 63.100 -0.697 0.000 0.768 69 P CB 0.160 31.331 31.700 -0.881 0.000 0.838 70 R N 2.240 122.602 120.500 -0.231 0.000 2.510 70 R HA 0.483 4.823 4.340 -0.000 0.000 0.294 70 R C -1.270 175.000 176.300 -0.050 0.000 1.056 70 R CA -0.729 55.313 56.100 -0.096 0.000 0.918 70 R CB 0.688 30.974 30.300 -0.023 0.000 1.187 70 R HN 0.255 nan 8.270 nan 0.000 0.437 71 L N 3.958 125.146 121.223 -0.058 0.000 2.268 71 L HA 0.431 4.771 4.340 -0.000 0.000 0.289 71 L C -0.582 176.289 176.870 0.002 0.000 1.064 71 L CA -1.074 53.756 54.840 -0.017 0.000 0.824 71 L CB 1.399 43.441 42.059 -0.029 0.000 1.202 71 L HN 0.426 nan 8.230 nan 0.000 0.433 72 V N 4.510 124.437 119.914 0.021 0.000 2.409 72 V HA 0.255 4.375 4.120 -0.000 0.000 0.291 72 V C 0.006 176.122 176.094 0.037 0.000 1.020 72 V CA -0.665 61.648 62.300 0.021 0.000 0.848 72 V CB 2.277 34.109 31.823 0.015 0.000 0.990 72 V HN 0.461 nan 8.190 nan 0.000 0.430 73 L N 5.380 126.630 121.223 0.045 0.000 2.369 73 L HA 0.304 4.644 4.340 -0.000 0.000 0.279 73 L C 0.807 177.718 176.870 0.069 0.000 1.108 73 L CA 0.505 55.396 54.840 0.086 0.000 0.852 73 L CB 0.735 42.846 42.059 0.088 0.000 1.169 73 L HN 0.609 nan 8.230 nan 0.000 0.452 74 Q N 5.702 125.524 119.800 0.037 0.000 3.159 74 Q HA 0.052 4.392 4.340 -0.000 0.000 0.280 74 Q C 1.109 177.013 176.000 -0.161 0.000 1.403 74 Q CA 0.171 55.890 55.803 -0.140 0.000 0.957 74 Q CB -0.242 28.309 28.738 -0.311 0.000 1.729 74 Q HN 0.706 nan 8.270 nan 0.000 0.551 75 R N 0.460 120.975 120.500 0.026 0.000 2.113 75 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 75 R C 1.830 178.187 176.300 0.094 0.000 1.142 75 R CA 1.801 57.957 56.100 0.093 0.000 0.953 75 R CB 0.044 30.373 30.300 0.048 0.000 0.860 75 R HN 0.352 nan 8.270 nan 0.000 0.438 76 E N 0.893 121.118 120.200 0.042 0.000 2.031 76 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 76 E C 1.771 178.453 176.600 0.135 0.000 0.994 76 E CA 1.446 57.908 56.400 0.104 0.000 0.800 76 E CB 0.117 29.845 29.700 0.047 0.000 0.752 76 E HN -0.020 nan 8.360 nan 0.000 0.447 77 K N 0.071 120.459 120.400 -0.019 0.000 2.063 77 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 77 K C 2.168 178.815 176.600 0.077 0.000 1.048 77 K CA 1.612 57.876 56.287 -0.038 0.000 0.928 77 K CB -0.773 31.609 32.500 -0.197 0.000 0.713 77 K HN 0.422 nan 8.250 nan 0.000 0.442 78 H N -0.734 118.442 119.070 0.176 0.000 2.387 78 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 78 H C 2.003 177.506 175.328 0.291 0.000 1.090 78 H CA 1.044 57.222 56.048 0.218 0.000 1.332 78 H CB -0.609 29.247 29.762 0.157 0.000 1.386 78 H HN 0.149 nan 8.280 nan 0.000 0.516 79 F N 1.774 121.859 119.950 0.225 0.000 2.134 79 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 79 F C 2.839 178.735 175.800 0.160 0.000 1.097 79 F CA 1.775 59.868 58.000 0.154 0.000 1.264 79 F CB -0.539 38.523 39.000 0.103 0.000 1.001 79 F HN 0.234 nan 8.300 nan 0.000 0.479 80 H N -1.205 117.851 119.070 -0.023 0.000 2.321 80 H HA -0.262 4.294 4.556 -0.000 0.000 0.300 80 H C 2.253 177.563 175.328 -0.031 0.000 1.087 80 H CA 2.177 58.144 56.048 -0.134 0.000 1.319 80 H CB -1.065 28.701 29.762 0.007 0.000 1.379 80 H HN 0.409 nan 8.280 nan 0.000 0.501 81 Y N 1.486 121.744 120.300 -0.069 0.000 2.114 81 Y HA -0.242 4.308 4.550 0.000 0.000 0.282 81 Y C 2.616 178.535 175.900 0.032 0.000 1.165 81 Y CA 1.896 59.977 58.100 -0.032 0.000 1.148 81 Y CB -0.690 37.829 38.460 0.098 0.000 0.972 81 Y HN 0.158 nan 8.280 nan 0.000 0.504 82 L N 0.166 121.382 121.223 -0.012 0.000 2.005 82 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 82 L C 2.619 179.328 176.870 -0.269 0.000 1.072 82 L CA 1.909 56.686 54.840 -0.104 0.000 0.744 82 L CB -0.777 41.294 42.059 0.019 0.000 0.895 82 L HN 0.078 nan 8.230 nan 0.000 0.433 83 K N 0.391 120.564 120.400 -0.379 0.000 2.089 83 K HA -0.288 4.032 4.320 -0.000 0.000 0.210 83 K C 2.355 178.744 176.600 -0.352 0.000 1.048 83 K CA 1.822 57.844 56.287 -0.441 0.000 0.926 83 K CB -0.086 31.962 32.500 -0.753 0.000 0.714 83 K HN 0.130 nan 8.250 nan 0.000 0.448 84 R N -0.398 119.873 120.500 -0.381 0.000 2.055 84 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 84 R C 2.435 178.564 176.300 -0.285 0.000 1.143 84 R CA 1.584 57.497 56.100 -0.312 0.000 0.945 84 R CB -0.713 29.379 30.300 -0.346 0.000 0.841 84 R HN 0.400 nan 8.270 nan 0.000 0.429 85 G N 1.575 110.182 108.800 -0.321 0.000 2.503 85 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 85 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 85 G C 1.270 175.854 174.900 -0.526 0.000 1.131 85 G CA 0.847 45.658 45.100 -0.480 0.000 0.756 85 G HN 0.331 nan 8.290 nan 0.000 0.572 86 L N -0.333 120.629 121.223 -0.434 0.000 2.353 86 L HA 0.154 4.494 4.340 -0.000 0.000 0.220 86 L C 2.402 179.094 176.870 -0.297 0.000 1.133 86 L CA 1.659 56.288 54.840 -0.353 0.000 0.798 86 L CB -0.202 41.699 42.059 -0.264 0.000 0.922 86 L HN 0.182 nan 8.230 nan 0.000 0.445 87 R N -1.372 118.964 120.500 -0.273 0.000 2.225 87 R HA 0.287 4.627 4.340 -0.000 0.000 0.194 87 R C 0.147 176.318 176.300 -0.215 0.000 0.949 87 R CA 0.315 56.281 56.100 -0.224 0.000 1.088 87 R CB 0.370 30.565 30.300 -0.175 0.000 1.106 87 R HN 0.461 nan 8.270 nan 0.000 0.566 88 Q N -0.071 119.602 119.800 -0.211 0.000 2.353 88 Q HA 0.447 4.787 4.340 -0.000 0.000 0.275 88 Q C -1.887 174.024 176.000 -0.149 0.000 1.029 88 Q CA -0.638 55.070 55.803 -0.159 0.000 0.848 88 Q CB 1.607 30.280 28.738 -0.109 0.000 1.390 88 Q HN 0.069 nan 8.270 nan 0.000 0.401 89 L N 1.454 122.611 121.223 -0.110 0.000 2.371 89 L HA 0.619 4.959 4.340 -0.000 0.000 0.262 89 L C 0.307 177.209 176.870 0.053 0.000 1.006 89 L CA -0.886 53.913 54.840 -0.068 0.000 0.818 89 L CB 2.206 44.150 42.059 -0.191 0.000 1.354 89 L HN 0.831 nan 8.230 nan 0.000 0.415 90 T N -3.576 111.068 114.554 0.149 0.000 2.754 90 T HA 0.070 4.420 4.350 -0.000 0.000 0.286 90 T C 0.757 175.576 174.700 0.199 0.000 0.997 90 T CA -0.107 62.089 62.100 0.160 0.000 0.982 90 T CB 0.660 69.625 68.868 0.161 0.000 1.027 90 T HN 0.759 nan 8.240 nan 0.000 0.529 91 D N -0.221 120.259 120.400 0.135 0.000 2.371 91 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 91 D C 1.951 178.320 176.300 0.116 0.000 0.986 91 D CA 0.829 54.898 54.000 0.116 0.000 0.899 91 D CB -0.770 40.073 40.800 0.072 0.000 0.902 91 D HN 0.679 nan 8.370 nan 0.000 0.530 92 A N -0.280 122.619 122.820 0.131 0.000 2.076 92 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 92 A C 1.109 178.652 177.584 -0.068 0.000 1.160 92 A CA 0.711 52.765 52.037 0.029 0.000 0.653 92 A CB -0.944 18.066 19.000 0.017 0.000 0.801 92 A HN 0.353 nan 8.150 nan 0.000 0.455 93 Y N 0.061 120.418 120.300 0.095 0.000 2.532 93 Y HA 0.166 4.716 4.550 0.000 0.000 0.283 93 Y C 1.710 177.666 175.900 0.093 0.000 1.181 93 Y CA -0.101 58.069 58.100 0.116 0.000 1.256 93 Y CB -0.070 38.481 38.460 0.151 0.000 1.112 93 Y HN 0.448 nan 8.280 nan 0.000 0.521 94 E N -0.363 119.924 120.200 0.146 0.000 2.153 94 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 94 E C 1.941 178.596 176.600 0.093 0.000 0.988 94 E CA 1.515 57.979 56.400 0.107 0.000 0.811 94 E CB -0.195 29.547 29.700 0.070 0.000 0.746 94 E HN 0.638 nan 8.360 nan 0.000 0.466 95 C N -0.557 118.785 119.300 0.070 0.000 2.511 95 C HA 0.146 4.606 4.460 -0.000 0.000 0.277 95 C C 1.713 176.764 174.990 0.102 0.000 1.451 95 C CA -0.228 58.825 59.018 0.059 0.000 1.735 95 C CB -1.079 26.672 27.740 0.018 0.000 1.704 95 C HN 0.212 nan 8.230 nan 0.000 0.571 96 L N 0.545 121.867 121.223 0.165 0.000 2.959 96 L HA 0.233 4.573 4.340 -0.000 0.000 0.259 96 L C 1.699 178.686 176.870 0.195 0.000 1.185 96 L CA 0.220 55.196 54.840 0.227 0.000 0.998 96 L CB -0.277 42.010 42.059 0.380 0.000 1.337 96 L HN 0.152 nan 8.230 nan 0.000 0.555 97 D N 1.464 121.951 120.400 0.146 0.000 2.311 97 D HA -0.165 4.475 4.640 -0.000 0.000 0.212 97 D C 1.686 178.049 176.300 0.105 0.000 0.972 97 D CA 1.202 55.273 54.000 0.118 0.000 0.887 97 D CB 0.441 41.294 40.800 0.088 0.000 0.915 97 D HN 0.296 nan 8.370 nan 0.000 0.497 98 A N -0.950 121.931 122.820 0.101 0.000 2.500 98 A HA 0.398 4.718 4.320 -0.000 0.000 0.267 98 A C 0.626 178.273 177.584 0.104 0.000 1.290 98 A CA -0.306 51.776 52.037 0.076 0.000 0.928 98 A CB 0.487 19.511 19.000 0.040 0.000 1.066 98 A HN 0.045 nan 8.150 nan 0.000 0.516 99 S N -0.650 115.147 115.700 0.162 0.000 2.794 99 S HA 0.211 4.681 4.470 -0.000 0.000 0.244 99 S C 0.911 175.635 174.600 0.207 0.000 1.045 99 S CA -0.494 57.853 58.200 0.246 0.000 1.114 99 S CB 0.157 63.538 63.200 0.302 0.000 1.085 99 S HN 0.567 nan 8.310 nan 0.000 0.488 100 R N 1.615 122.210 120.500 0.159 0.000 2.119 100 R HA 0.059 4.399 4.340 -0.000 0.000 0.222 100 R C -1.139 175.228 176.300 0.113 0.000 1.088 100 R CA 0.674 56.875 56.100 0.167 0.000 0.984 100 R CB -1.045 29.423 30.300 0.281 0.000 0.884 100 R HN 0.273 nan 8.270 nan 0.000 0.447 101 P HA -0.161 nan 4.420 nan 0.000 0.218 101 P C 0.325 177.475 177.300 -0.251 0.000 1.149 101 P CA 1.078 64.090 63.100 -0.148 0.000 0.817 101 P CB -0.050 31.468 31.700 -0.305 0.000 0.785 102 W N -0.606 120.503 121.300 -0.319 0.000 2.358 102 W HA -0.089 4.571 4.660 0.000 0.000 0.303 102 W C 2.153 178.125 176.519 -0.912 0.000 1.208 102 W CA 0.472 57.357 57.345 -0.766 0.000 1.274 102 W CB -0.863 27.980 29.460 -1.027 0.000 1.138 102 W HN -0.127 nan 8.180 nan 0.000 0.515 103 L N -1.078 120.027 121.223 -0.196 0.000 2.046 103 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 103 L C 2.416 179.224 176.870 -0.103 0.000 1.077 103 L CA 1.053 55.879 54.840 -0.024 0.000 0.747 103 L CB -1.085 40.966 42.059 -0.013 0.000 0.896 103 L HN 0.060 nan 8.230 nan 0.000 0.432 104 C N -1.092 118.145 119.300 -0.106 0.000 2.413 104 C HA -0.257 4.203 4.460 -0.000 0.000 0.277 104 C C 2.762 177.706 174.990 -0.077 0.000 1.228 104 C CA 0.933 59.891 59.018 -0.099 0.000 1.731 104 C CB -0.872 26.837 27.740 -0.051 0.000 2.042 104 C HN 0.568 nan 8.230 nan 0.000 0.468 105 Y N 0.521 120.693 120.300 -0.213 0.000 2.114 105 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 105 Y C 2.341 178.242 175.900 0.002 0.000 1.143 105 Y CA 1.454 59.447 58.100 -0.178 0.000 1.135 105 Y CB -0.717 37.560 38.460 -0.305 0.000 0.980 105 Y HN 0.377 nan 8.280 nan 0.000 0.499 106 W N 0.678 121.853 121.300 -0.208 0.000 2.318 106 W HA -0.243 4.417 4.660 0.000 0.000 0.313 106 W C 2.454 178.796 176.519 -0.295 0.000 1.221 106 W CA 1.587 58.727 57.345 -0.341 0.000 1.266 106 W CB -1.267 28.180 29.460 -0.022 0.000 1.150 106 W HN 0.214 nan 8.180 nan 0.000 0.496 107 I N -0.354 120.209 120.570 -0.011 0.000 2.193 107 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 107 I C 2.452 178.508 176.117 -0.102 0.000 1.084 107 I CA 1.070 62.307 61.300 -0.105 0.000 1.365 107 I CB -0.912 36.923 38.000 -0.275 0.000 1.064 107 I HN -0.184 nan 8.210 nan 0.000 0.410 108 L N 0.017 121.177 121.223 -0.106 0.000 2.079 108 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 108 L C 2.736 179.576 176.870 -0.050 0.000 1.081 108 L CA 1.558 56.356 54.840 -0.068 0.000 0.752 108 L CB -0.835 41.194 42.059 -0.049 0.000 0.896 108 L HN 0.337 nan 8.230 nan 0.000 0.433 109 H N -0.632 118.295 119.070 -0.238 0.000 2.389 109 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 109 H C 2.380 177.602 175.328 -0.177 0.000 1.081 109 H CA 1.556 57.457 56.048 -0.246 0.000 1.345 109 H CB 0.133 29.591 29.762 -0.506 0.000 1.393 109 H HN 0.133 nan 8.280 nan 0.000 0.520 110 S N -0.051 115.511 115.700 -0.229 0.000 2.356 110 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 110 S C 2.300 176.829 174.600 -0.118 0.000 1.032 110 S CA 1.248 59.327 58.200 -0.202 0.000 1.005 110 S CB -0.319 62.834 63.200 -0.078 0.000 0.867 110 S HN 0.363 nan 8.310 nan 0.000 0.449 111 L N 1.364 122.559 121.223 -0.047 0.000 2.042 111 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 111 L C 2.739 179.593 176.870 -0.026 0.000 1.076 111 L CA 1.629 56.481 54.840 0.021 0.000 0.749 111 L CB -0.581 41.509 42.059 0.052 0.000 0.893 111 L HN 0.437 nan 8.230 nan 0.000 0.432 112 E N 0.763 120.922 120.200 -0.069 0.000 2.058 112 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 112 E C 2.346 178.888 176.600 -0.096 0.000 0.997 112 E CA 1.280 57.642 56.400 -0.064 0.000 0.801 112 E CB -0.106 29.578 29.700 -0.027 0.000 0.746 112 E HN 0.474 nan 8.360 nan 0.000 0.450 113 L N 0.520 121.622 121.223 -0.201 0.000 2.083 113 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 113 L C 2.410 179.240 176.870 -0.066 0.000 1.083 113 L CA 0.781 55.524 54.840 -0.162 0.000 0.752 113 L CB -0.183 41.716 42.059 -0.266 0.000 0.899 113 L HN 0.254 nan 8.230 nan 0.000 0.433 114 L N -0.807 120.385 121.223 -0.052 0.000 2.599 114 L HA -0.027 4.313 4.340 -0.000 0.000 0.230 114 L C 0.395 177.247 176.870 -0.030 0.000 1.141 114 L CA 0.028 54.860 54.840 -0.013 0.000 0.877 114 L CB -0.300 41.779 42.059 0.032 0.000 1.009 114 L HN 0.253 nan 8.230 nan 0.000 0.447 115 D N 0.936 121.316 120.400 -0.034 0.000 2.800 115 D HA -0.163 4.477 4.640 -0.000 0.000 0.232 115 D C -0.095 176.167 176.300 -0.063 0.000 1.137 115 D CA 0.598 54.574 54.000 -0.039 0.000 0.718 115 D CB -0.383 40.397 40.800 -0.034 0.000 1.084 115 D HN 0.250 nan 8.370 nan 0.000 0.432 116 E N 0.941 121.110 120.200 -0.052 0.000 2.134 116 E HA 0.377 4.727 4.350 -0.000 0.000 0.278 116 E C -1.908 174.690 176.600 -0.003 0.000 0.959 116 E CA -1.554 54.805 56.400 -0.068 0.000 0.783 116 E CB 1.275 30.959 29.700 -0.027 0.000 1.095 116 E HN 0.273 nan 8.360 nan 0.000 0.399 117 P HA 0.241 nan 4.420 nan 0.000 0.274 117 P C -0.225 177.090 177.300 0.024 0.000 1.246 117 P CA -0.461 62.639 63.100 -0.001 0.000 0.795 117 P CB 0.950 32.643 31.700 -0.012 0.000 1.006 118 I N 1.726 122.299 120.570 0.005 0.000 2.307 118 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 118 I C -2.147 173.965 176.117 -0.007 0.000 1.021 118 I CA -2.986 58.315 61.300 0.001 0.000 1.224 118 I CB -0.068 37.919 38.000 -0.021 0.000 1.376 118 I HN 0.139 nan 8.210 nan 0.000 0.470 119 P HA 0.009 nan 4.420 nan 0.000 0.261 119 P C 0.783 178.070 177.300 -0.021 0.000 1.173 119 P CA -0.063 63.034 63.100 -0.006 0.000 0.760 119 P CB 0.645 32.344 31.700 -0.002 0.000 0.783 120 Q N 1.996 121.781 119.800 -0.024 0.000 2.291 120 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 120 Q C 1.698 177.678 176.000 -0.034 0.000 0.976 120 Q CA 1.202 56.985 55.803 -0.033 0.000 0.875 120 Q CB -0.319 28.399 28.738 -0.033 0.000 0.927 120 Q HN 0.592 nan 8.270 nan 0.000 0.450 121 I N -0.621 119.932 120.570 -0.028 0.000 2.500 121 I HA -0.192 3.978 4.170 -0.000 0.000 0.252 121 I C 1.822 177.918 176.117 -0.035 0.000 1.142 121 I CA 0.304 61.587 61.300 -0.029 0.000 1.451 121 I CB 0.200 38.185 38.000 -0.024 0.000 1.093 121 I HN -0.053 nan 8.210 nan 0.000 0.430 122 V N 1.220 121.111 119.914 -0.039 0.000 2.233 122 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 122 V C 2.731 178.796 176.094 -0.049 0.000 1.050 122 V CA 2.033 64.303 62.300 -0.050 0.000 1.010 122 V CB -1.273 30.519 31.823 -0.052 0.000 0.637 122 V HN 0.548 nan 8.190 nan 0.000 0.444 123 A N -0.642 122.149 122.820 -0.049 0.000 1.884 123 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 123 A C 2.472 180.026 177.584 -0.050 0.000 1.197 123 A CA 3.064 55.067 52.037 -0.057 0.000 0.637 123 A CB -1.269 17.690 19.000 -0.067 0.000 0.827 123 A HN 0.497 nan 8.150 nan 0.000 0.450 124 T N -1.042 113.487 114.554 -0.042 0.000 2.746 124 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 124 T C 1.576 176.267 174.700 -0.015 0.000 1.039 124 T CA 1.923 64.004 62.100 -0.031 0.000 1.142 124 T CB -0.577 68.274 68.868 -0.027 0.000 0.866 124 T HN 0.481 nan 8.240 nan 0.000 0.444 125 D N 0.410 120.800 120.400 -0.018 0.000 2.144 125 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 125 D C 2.234 178.549 176.300 0.025 0.000 0.984 125 D CA 0.718 54.715 54.000 -0.005 0.000 0.834 125 D CB -0.513 40.267 40.800 -0.033 0.000 0.955 125 D HN 0.296 nan 8.370 nan 0.000 0.465 126 V N 0.541 120.458 119.914 0.005 0.000 2.295 126 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 126 V C 2.695 178.827 176.094 0.064 0.000 1.049 126 V CA 1.311 63.635 62.300 0.040 0.000 1.024 126 V CB -0.557 31.256 31.823 -0.016 0.000 0.648 126 V HN 0.300 nan 8.190 nan 0.000 0.447 127 C N -0.371 118.936 119.300 0.011 0.000 2.393 127 C HA -0.255 4.205 4.460 -0.000 0.000 0.276 127 C C 2.870 177.878 174.990 0.030 0.000 1.215 127 C CA 1.434 60.453 59.018 0.002 0.000 1.743 127 C CB -1.211 26.518 27.740 -0.019 0.000 2.044 127 C HN 0.616 nan 8.230 nan 0.000 0.464 128 Q N -0.864 118.963 119.800 0.045 0.000 2.119 128 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 128 Q C 2.024 178.074 176.000 0.084 0.000 0.972 128 Q CA 1.573 57.407 55.803 0.051 0.000 0.847 128 Q CB -0.364 28.402 28.738 0.047 0.000 0.903 128 Q HN 0.789 nan 8.270 nan 0.000 0.433 129 F N 1.261 121.195 119.950 -0.026 0.000 2.113 129 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 129 F C 1.688 177.485 175.800 -0.005 0.000 1.103 129 F CA 1.174 59.159 58.000 -0.025 0.000 1.248 129 F CB -0.184 38.788 39.000 -0.047 0.000 0.999 129 F HN -0.059 nan 8.300 nan 0.000 0.475 130 L N 0.069 121.179 121.223 -0.189 0.000 2.131 130 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 130 L C 2.370 179.220 176.870 -0.034 0.000 1.092 130 L CA 1.434 56.136 54.840 -0.230 0.000 0.759 130 L CB -0.786 41.183 42.059 -0.150 0.000 0.903 130 L HN 0.210 nan 8.230 nan 0.000 0.435 131 E N 0.303 120.495 120.200 -0.012 0.000 2.085 131 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 131 E C 2.317 178.875 176.600 -0.069 0.000 0.994 131 E CA 1.071 57.471 56.400 0.000 0.000 0.801 131 E CB -0.112 29.589 29.700 0.001 0.000 0.743 131 E HN 0.483 nan 8.360 nan 0.000 0.453 132 L N 0.116 121.267 121.223 -0.120 0.000 2.201 132 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 132 L C 2.227 178.990 176.870 -0.178 0.000 1.105 132 L CA 0.481 55.240 54.840 -0.134 0.000 0.775 132 L CB -0.170 41.823 42.059 -0.110 0.000 0.913 132 L HN 0.302 nan 8.230 nan 0.000 0.440 133 C N -0.987 118.169 119.300 -0.241 0.000 2.539 133 C HA -0.016 4.444 4.460 -0.000 0.000 0.268 133 C C 1.465 176.405 174.990 -0.083 0.000 1.395 133 C CA -0.413 58.499 59.018 -0.175 0.000 1.757 133 C CB -0.966 26.636 27.740 -0.230 0.000 1.851 133 C HN 0.407 nan 8.230 nan 0.000 0.545 134 Q N 1.470 121.183 119.800 -0.145 0.000 2.286 134 Q HA 0.228 4.568 4.340 -0.000 0.000 0.257 134 Q C 0.156 175.965 176.000 -0.318 0.000 0.941 134 Q CA 0.113 55.655 55.803 -0.434 0.000 0.912 134 Q CB 0.697 29.087 28.738 -0.579 0.000 1.192 134 Q HN 0.399 nan 8.270 nan 0.000 0.410 135 S N 4.009 119.495 115.700 -0.356 0.000 2.565 135 S HA 0.219 4.689 4.470 -0.000 0.000 0.276 135 S C -1.745 172.734 174.600 -0.202 0.000 1.326 135 S CA -1.437 56.626 58.200 -0.229 0.000 1.045 135 S CB 0.704 63.763 63.200 -0.236 0.000 0.918 135 S HN 0.618 nan 8.310 nan 0.000 0.505 136 P HA -0.049 nan 4.420 nan 0.000 0.218 136 P C 0.180 177.429 177.300 -0.085 0.000 1.148 136 P CA 1.138 64.184 63.100 -0.089 0.000 0.822 136 P CB 0.078 31.750 31.700 -0.048 0.000 0.784 137 D N -0.885 119.465 120.400 -0.084 0.000 2.358 137 D HA 0.284 4.924 4.640 -0.000 0.000 0.224 137 D C 0.868 177.120 176.300 -0.080 0.000 1.123 137 D CA 0.427 54.395 54.000 -0.053 0.000 0.833 137 D CB 0.281 41.075 40.800 -0.009 0.000 0.946 137 D HN 0.119 nan 8.370 nan 0.000 0.505 138 G N -0.025 108.660 108.800 -0.191 0.000 2.674 138 G HA2 0.357 4.317 3.960 -0.000 0.000 0.686 138 G HA3 0.357 4.317 3.960 -0.000 0.000 0.686 138 G C 0.180 174.741 174.900 -0.566 0.000 1.195 138 G CA -0.479 44.468 45.100 -0.255 0.000 0.776 138 G HN 0.575 nan 8.290 nan 0.000 0.654 139 G N -0.714 107.768 108.800 -0.530 0.000 2.781 139 G HA2 0.346 4.306 3.960 -0.000 0.000 0.683 139 G HA3 0.346 4.306 3.960 -0.000 0.000 0.683 139 G C -0.430 174.105 174.900 -0.609 0.000 1.390 139 G CA 0.099 44.867 45.100 -0.552 0.000 0.850 139 G HN 1.739 nan 8.290 nan 0.000 0.557 140 F N 0.389 120.211 119.950 -0.213 0.000 2.538 140 F HA 0.728 5.255 4.527 -0.000 0.000 0.325 140 F C 1.154 176.885 175.800 -0.116 0.000 1.066 140 F CA 0.236 58.135 58.000 -0.169 0.000 0.946 140 F CB 2.057 40.956 39.000 -0.169 0.000 1.199 140 F HN 0.797 nan 8.300 nan 0.000 0.473 141 G N -0.197 108.645 108.800 0.069 0.000 2.552 141 G HA2 0.444 4.404 3.960 -0.000 0.000 0.318 141 G HA3 0.444 4.404 3.960 -0.000 0.000 0.318 141 G C 0.761 175.676 174.900 0.024 0.000 1.240 141 G CA -0.465 44.663 45.100 0.047 0.000 1.002 141 G HN 0.894 nan 8.290 nan 0.000 0.493 142 G N -1.768 107.045 108.800 0.021 0.000 2.744 142 G HA2 0.457 4.417 3.960 -0.000 0.000 0.211 142 G HA3 0.457 4.417 3.960 -0.000 0.000 0.211 142 G C 0.668 175.593 174.900 0.041 0.000 1.143 142 G CA 0.949 46.068 45.100 0.031 0.000 0.788 142 G HN 1.293 nan 8.290 nan 0.000 0.534 143 G N -1.314 107.485 108.800 -0.001 0.000 2.356 143 G HA2 0.458 4.418 3.960 -0.000 0.000 0.294 143 G HA3 0.458 4.418 3.960 -0.000 0.000 0.294 143 G C -3.459 171.408 174.900 -0.054 0.000 1.423 143 G CA -0.963 44.143 45.100 0.010 0.000 0.806 143 G HN -0.112 nan 8.290 nan 0.000 0.527 144 P HA 0.336 nan 4.420 nan 0.000 0.266 144 P C 0.972 178.238 177.300 -0.056 0.000 1.215 144 P CA 1.918 64.981 63.100 -0.063 0.000 0.763 144 P CB 0.907 32.604 31.700 -0.005 0.000 0.806 145 G N 2.104 110.857 108.800 -0.078 0.000 2.157 145 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 145 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 145 G C 0.046 174.849 174.900 -0.161 0.000 0.979 145 G CA -0.343 44.699 45.100 -0.098 0.000 0.650 145 G HN 0.548 nan 8.290 nan 0.000 0.529 146 Q N -0.636 119.083 119.800 -0.135 0.000 2.227 146 Q HA 0.562 4.902 4.340 -0.000 0.000 0.245 146 Q C 0.057 175.985 176.000 -0.121 0.000 0.926 146 Q CA -0.810 54.888 55.803 -0.176 0.000 0.895 146 Q CB 1.008 29.699 28.738 -0.079 0.000 1.230 146 Q HN 0.471 nan 8.270 nan 0.000 0.450 147 Y N 1.820 122.123 120.300 0.006 0.000 2.550 147 Y HA 0.017 4.567 4.550 -0.000 0.000 0.343 147 Y C -1.545 174.364 175.900 0.014 0.000 1.245 147 Y CA -1.590 56.518 58.100 0.013 0.000 1.462 147 Y CB -0.065 38.430 38.460 0.058 0.000 1.340 147 Y HN 0.436 nan 8.280 nan 0.000 0.604 148 P HA -0.011 nan 4.420 nan 0.000 0.270 148 P C -0.950 176.503 177.300 0.256 0.000 1.223 148 P CA 0.547 63.652 63.100 0.009 0.000 0.785 148 P CB 0.953 32.386 31.700 -0.445 0.000 0.923 149 H N 1.252 120.429 119.070 0.179 0.000 3.123 149 H HA 0.156 4.712 4.556 -0.000 0.000 0.346 149 H C 0.445 175.954 175.328 0.303 0.000 1.138 149 H CA -0.519 55.703 56.048 0.290 0.000 1.273 149 H CB 1.294 31.145 29.762 0.149 0.000 1.926 149 H HN 0.197 nan 8.280 nan 0.000 0.524 150 L N 2.874 124.259 121.223 0.270 0.000 2.131 150 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 150 L C 2.477 179.557 176.870 0.351 0.000 1.092 150 L CA 1.570 56.583 54.840 0.288 0.000 0.759 150 L CB -0.356 41.777 42.059 0.123 0.000 0.903 150 L HN 0.701 nan 8.230 nan 0.000 0.435 151 A N 0.721 123.898 122.820 0.594 0.000 1.855 151 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 151 A C -0.211 177.445 177.584 0.119 0.000 1.191 151 A CA 1.455 53.813 52.037 0.535 0.000 0.613 151 A CB -1.817 17.658 19.000 0.791 0.000 0.829 151 A HN 0.282 nan 8.150 nan 0.000 0.442 152 P HA -0.076 nan 4.420 nan 0.000 0.223 152 P C 1.236 178.410 177.300 -0.210 0.000 1.151 152 P CA 1.506 64.462 63.100 -0.240 0.000 0.787 152 P CB -0.339 31.337 31.700 -0.041 0.000 0.788 153 T N -0.719 113.854 114.554 0.032 0.000 2.737 153 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 153 T C 1.694 176.333 174.700 -0.101 0.000 1.038 153 T CA 1.244 63.399 62.100 0.091 0.000 1.144 153 T CB -1.109 67.909 68.868 0.251 0.000 0.866 153 T HN 0.112 nan 8.240 nan 0.000 0.434 154 Y N 2.113 122.283 120.300 -0.217 0.000 2.165 154 Y HA -0.072 4.478 4.550 0.000 0.000 0.286 154 Y C 2.451 178.023 175.900 -0.547 0.000 1.155 154 Y CA 1.094 59.008 58.100 -0.311 0.000 1.164 154 Y CB -0.618 37.718 38.460 -0.206 0.000 0.978 154 Y HN 0.165 nan 8.280 nan 0.000 0.513 155 A N 0.826 123.124 122.820 -0.871 0.000 1.898 155 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 155 A C 2.438 179.554 177.584 -0.781 0.000 1.181 155 A CA 1.720 53.089 52.037 -1.114 0.000 0.620 155 A CB -1.521 16.659 19.000 -1.367 0.000 0.819 155 A HN 0.657 nan 8.150 nan 0.000 0.442 156 A N -0.330 122.054 122.820 -0.727 0.000 1.865 156 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 156 A C 2.234 179.404 177.584 -0.690 0.000 1.191 156 A CA 1.995 53.544 52.037 -0.814 0.000 0.623 156 A CB -1.182 16.932 19.000 -1.476 0.000 0.826 156 A HN 0.439 nan 8.150 nan 0.000 0.444 157 V N 0.864 120.404 119.914 -0.624 0.000 2.282 157 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 157 V C 2.385 178.259 176.094 -0.367 0.000 1.057 157 V CA 2.377 64.439 62.300 -0.397 0.000 1.032 157 V CB -1.145 30.503 31.823 -0.291 0.000 0.645 157 V HN 0.570 nan 8.190 nan 0.000 0.447 158 N N 0.166 118.546 118.700 -0.534 0.000 2.149 158 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 158 N C 1.804 177.182 175.510 -0.221 0.000 1.019 158 N CA 1.670 54.439 53.050 -0.469 0.000 0.857 158 N CB -0.514 37.437 38.487 -0.894 0.000 0.997 158 N HN 0.511 nan 8.380 nan 0.000 0.426 159 A N 0.601 123.288 122.820 -0.223 0.000 1.873 159 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 159 A C 2.290 179.805 177.584 -0.114 0.000 1.186 159 A CA 0.868 52.846 52.037 -0.098 0.000 0.616 159 A CB -0.740 18.184 19.000 -0.126 0.000 0.823 159 A HN 0.249 nan 8.150 nan 0.000 0.442 160 L N -0.775 120.352 121.223 -0.160 0.000 2.131 160 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 160 L C 2.536 179.347 176.870 -0.097 0.000 1.092 160 L CA 1.077 55.842 54.840 -0.125 0.000 0.759 160 L CB -0.627 41.374 42.059 -0.096 0.000 0.903 160 L HN 0.481 nan 8.230 nan 0.000 0.435 161 C N -0.475 118.799 119.300 -0.043 0.000 2.464 161 C HA -0.025 4.435 4.460 -0.000 0.000 0.278 161 C C 2.687 177.672 174.990 -0.009 0.000 1.375 161 C CA 0.091 59.132 59.018 0.037 0.000 1.761 161 C CB -0.500 27.253 27.740 0.021 0.000 1.944 161 C HN 0.432 nan 8.230 nan 0.000 0.509 162 I N 0.658 121.214 120.570 -0.024 0.000 2.315 162 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 162 I C 2.251 178.342 176.117 -0.043 0.000 1.117 162 I CA 1.611 62.911 61.300 0.001 0.000 1.404 162 I CB -0.257 37.767 38.000 0.040 0.000 1.071 162 I HN 0.301 nan 8.210 nan 0.000 0.419 163 I N 0.424 120.941 120.570 -0.089 0.000 2.163 163 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 163 I C 1.871 177.868 176.117 -0.200 0.000 1.081 163 I CA 1.423 62.646 61.300 -0.129 0.000 1.353 163 I CB -0.732 37.184 38.000 -0.141 0.000 1.054 163 I HN 0.440 nan 8.210 nan 0.000 0.407 164 G N 1.361 109.961 108.800 -0.332 0.000 2.143 164 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 164 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 164 G C 0.447 174.910 174.900 -0.729 0.000 0.991 164 G CA 0.502 45.295 45.100 -0.512 0.000 0.689 164 G HN 0.532 nan 8.290 nan 0.000 0.522 165 T N -3.061 111.106 114.554 -0.645 0.000 2.862 165 T HA 0.647 4.997 4.350 -0.000 0.000 0.276 165 T C 1.146 175.479 174.700 -0.611 0.000 0.974 165 T CA 0.509 62.321 62.100 -0.479 0.000 0.966 165 T CB 1.937 70.648 68.868 -0.262 0.000 1.072 165 T HN 0.142 nan 8.240 nan 0.000 0.538 166 E N 0.078 120.106 120.200 -0.286 0.000 2.085 166 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 166 E C 2.010 178.536 176.600 -0.124 0.000 0.994 166 E CA 1.751 58.064 56.400 -0.145 0.000 0.801 166 E CB -0.238 29.439 29.700 -0.038 0.000 0.743 166 E HN 0.833 nan 8.360 nan 0.000 0.453 167 E N -0.402 119.721 120.200 -0.128 0.000 2.038 167 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 167 E C 1.969 178.512 176.600 -0.095 0.000 1.000 167 E CA 1.226 57.576 56.400 -0.083 0.000 0.803 167 E CB -0.280 29.373 29.700 -0.078 0.000 0.750 167 E HN 0.351 nan 8.360 nan 0.000 0.448 168 A N 0.537 123.240 122.820 -0.194 0.000 1.859 168 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 168 A C 2.050 179.592 177.584 -0.069 0.000 1.198 168 A CA 1.878 53.804 52.037 -0.185 0.000 0.629 168 A CB -1.402 17.408 19.000 -0.317 0.000 0.830 168 A HN 0.524 nan 8.150 nan 0.000 0.446 169 Y N -0.027 120.224 120.300 -0.081 0.000 2.151 169 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 169 Y C 2.365 178.339 175.900 0.123 0.000 1.166 169 Y CA 1.013 59.100 58.100 -0.021 0.000 1.163 169 Y CB -0.316 37.824 38.460 -0.533 0.000 0.974 169 Y HN 0.309 nan 8.280 nan 0.000 0.511 170 N N -0.246 118.567 118.700 0.188 0.000 2.512 170 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 170 N C 1.666 177.262 175.510 0.143 0.000 1.073 170 N CA 0.520 53.671 53.050 0.168 0.000 0.911 170 N CB -0.261 38.285 38.487 0.099 0.000 0.964 170 N HN 0.161 nan 8.380 nan 0.000 0.447 171 V N 1.091 121.086 119.914 0.135 0.000 2.343 171 V HA -0.102 4.018 4.120 -0.000 0.000 0.247 171 V C 1.080 177.270 176.094 0.160 0.000 1.051 171 V CA 0.792 63.168 62.300 0.127 0.000 1.036 171 V CB -0.233 31.666 31.823 0.126 0.000 0.654 171 V HN 0.196 nan 8.190 nan 0.000 0.451 172 I N 2.145 122.846 120.570 0.220 0.000 2.505 172 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 172 I C 0.549 176.724 176.117 0.098 0.000 1.104 172 I CA 0.189 61.608 61.300 0.199 0.000 1.387 172 I CB -0.061 38.058 38.000 0.198 0.000 1.404 172 I HN 0.154 nan 8.210 nan 0.000 0.528 173 N N 7.025 125.724 118.700 -0.002 0.000 2.448 173 N HA 0.114 4.854 4.740 -0.000 0.000 0.250 173 N C 0.953 176.455 175.510 -0.012 0.000 1.136 173 N CA 0.074 53.115 53.050 -0.015 0.000 0.953 173 N CB 0.491 38.937 38.487 -0.069 0.000 1.251 173 N HN 0.455 nan 8.380 nan 0.000 0.502 174 R N 2.051 122.564 120.500 0.021 0.000 2.092 174 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 174 R C 0.979 177.291 176.300 0.020 0.000 1.119 174 R CA 1.326 57.430 56.100 0.007 0.000 0.970 174 R CB 0.201 30.512 30.300 0.017 0.000 0.864 174 R HN 0.479 nan 8.270 nan 0.000 0.440 175 E N 0.689 120.909 120.200 0.033 0.000 2.051 175 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 175 E C 1.836 178.460 176.600 0.039 0.000 0.991 175 E CA 1.163 57.589 56.400 0.043 0.000 0.799 175 E CB 0.027 29.752 29.700 0.041 0.000 0.748 175 E HN 0.030 nan 8.360 nan 0.000 0.449 176 K N 0.341 120.749 120.400 0.014 0.000 2.057 176 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 176 K C 2.134 178.757 176.600 0.039 0.000 1.049 176 K CA 0.574 56.865 56.287 0.008 0.000 0.931 176 K CB -0.753 31.718 32.500 -0.047 0.000 0.714 176 K HN 0.121 nan 8.250 nan 0.000 0.440 177 L N 1.361 122.592 121.223 0.013 0.000 2.013 177 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 177 L C 2.166 179.095 176.870 0.098 0.000 1.073 177 L CA 1.450 56.321 54.840 0.052 0.000 0.753 177 L CB -0.764 41.303 42.059 0.014 0.000 0.890 177 L HN 0.135 nan 8.230 nan 0.000 0.432 178 L N -0.861 120.403 121.223 0.068 0.000 2.056 178 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 178 L C 2.458 179.424 176.870 0.160 0.000 1.078 178 L CA 1.637 56.520 54.840 0.072 0.000 0.749 178 L CB -0.694 41.417 42.059 0.086 0.000 0.901 178 L HN 0.420 nan 8.230 nan 0.000 0.433 179 Q N -1.629 118.271 119.800 0.166 0.000 2.030 179 Q HA -0.292 4.048 4.340 -0.000 0.000 0.204 179 Q C 2.174 178.287 176.000 0.187 0.000 0.986 179 Q CA 2.324 58.233 55.803 0.178 0.000 0.843 179 Q CB -0.556 28.246 28.738 0.107 0.000 0.904 179 Q HN 0.594 nan 8.270 nan 0.000 0.420 180 Y N 1.388 121.711 120.300 0.038 0.000 2.053 180 Y HA -0.303 4.247 4.550 -0.000 0.000 0.277 180 Y C 1.890 177.817 175.900 0.044 0.000 1.159 180 Y CA 1.698 59.814 58.100 0.026 0.000 1.125 180 Y CB -0.518 37.942 38.460 0.001 0.000 0.969 180 Y HN 0.055 nan 8.280 nan 0.000 0.492 181 L N -1.465 119.745 121.223 -0.021 0.000 2.013 181 L HA -0.337 4.003 4.340 -0.000 0.000 0.212 181 L C 2.343 179.164 176.870 -0.081 0.000 1.073 181 L CA 1.988 56.769 54.840 -0.099 0.000 0.753 181 L CB -1.023 40.962 42.059 -0.123 0.000 0.890 181 L HN 0.280 nan 8.230 nan 0.000 0.432 182 Y N 0.230 120.490 120.300 -0.066 0.000 2.274 182 Y HA -0.264 4.286 4.550 -0.000 0.000 0.290 182 Y C 3.026 178.833 175.900 -0.155 0.000 1.145 182 Y CA 1.443 59.474 58.100 -0.115 0.000 1.203 182 Y CB -0.140 38.266 38.460 -0.090 0.000 0.984 182 Y HN 0.320 nan 8.280 nan 0.000 0.533 183 S N -0.620 115.083 115.700 0.006 0.000 2.515 183 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 183 S C 1.508 176.018 174.600 -0.151 0.000 0.987 183 S CA 0.747 58.908 58.200 -0.065 0.000 0.936 183 S CB -0.543 62.632 63.200 -0.041 0.000 0.766 183 S HN 0.479 nan 8.310 nan 0.000 0.528 184 L N -0.244 120.856 121.223 -0.205 0.000 2.463 184 L HA 0.326 4.666 4.340 -0.000 0.000 0.219 184 L C 1.004 177.701 176.870 -0.289 0.000 1.088 184 L CA -0.123 54.590 54.840 -0.210 0.000 0.849 184 L CB -0.225 41.722 42.059 -0.187 0.000 1.012 184 L HN 0.128 nan 8.230 nan 0.000 0.468 185 K N 1.629 121.765 120.400 -0.440 0.000 2.484 185 K HA 0.005 4.325 4.320 -0.000 0.000 0.280 185 K C -0.146 176.151 176.600 -0.506 0.000 1.013 185 K CA 0.430 56.221 56.287 -0.826 0.000 1.029 185 K CB 0.424 32.501 32.500 -0.707 0.000 0.902 185 K HN -0.080 nan 8.250 nan 0.000 0.481 186 Q N 4.490 123.967 119.800 -0.539 0.000 2.215 186 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 186 Q C -1.770 174.068 176.000 -0.270 0.000 0.972 186 Q CA -2.246 53.353 55.803 -0.340 0.000 0.889 186 Q CB 0.830 29.373 28.738 -0.326 0.000 1.281 186 Q HN 0.456 nan 8.270 nan 0.000 0.456 187 P HA -0.123 nan 4.420 nan 0.000 0.220 187 P C 0.426 177.669 177.300 -0.095 0.000 1.148 187 P CA 1.123 64.151 63.100 -0.120 0.000 0.803 187 P CB 0.260 31.910 31.700 -0.082 0.000 0.782 188 D N -1.630 118.710 120.400 -0.100 0.000 2.349 188 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 188 D C 1.438 177.722 176.300 -0.026 0.000 1.029 188 D CA 0.716 54.700 54.000 -0.026 0.000 0.879 188 D CB -0.669 40.154 40.800 0.040 0.000 0.906 188 D HN 0.256 nan 8.370 nan 0.000 0.528 189 G N -0.174 108.536 108.800 -0.150 0.000 2.238 189 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 189 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 189 G C 0.445 175.168 174.900 -0.296 0.000 0.996 189 G CA 0.225 45.255 45.100 -0.116 0.000 0.632 189 G HN 0.753 nan 8.290 nan 0.000 0.503 190 S N -0.140 115.169 115.700 -0.651 0.000 2.681 190 S HA 0.832 5.302 4.470 -0.000 0.000 0.270 190 S C -0.374 173.890 174.600 -0.560 0.000 1.209 190 S CA -0.525 57.154 58.200 -0.868 0.000 0.988 190 S CB 1.533 63.785 63.200 -1.581 0.000 1.006 190 S HN 0.468 nan 8.310 nan 0.000 0.558 191 F N -0.277 119.415 119.950 -0.430 0.000 2.546 191 F HA 0.530 5.057 4.527 -0.000 0.000 0.320 191 F C 0.019 175.665 175.800 -0.257 0.000 1.076 191 F CA -1.106 56.725 58.000 -0.281 0.000 0.928 191 F CB 1.322 40.206 39.000 -0.195 0.000 1.189 191 F HN 0.439 nan 8.300 nan 0.000 0.465 192 L N 3.377 124.555 121.223 -0.075 0.000 2.452 192 L HA 0.132 4.472 4.340 -0.000 0.000 0.267 192 L C 1.399 178.224 176.870 -0.074 0.000 1.188 192 L CA -0.537 54.236 54.840 -0.112 0.000 0.821 192 L CB 0.436 42.390 42.059 -0.175 0.000 1.102 192 L HN 0.660 nan 8.230 nan 0.000 0.470 193 M N 0.648 120.196 119.600 -0.087 0.000 2.254 193 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 193 M C 0.356 176.557 176.300 -0.166 0.000 1.066 193 M CA 1.293 56.533 55.300 -0.100 0.000 1.123 193 M CB -1.006 31.587 32.600 -0.010 0.000 1.388 193 M HN 0.828 nan 8.290 nan 0.000 0.425 194 H N -5.087 113.871 119.070 -0.187 0.000 2.987 194 H HA 0.431 4.987 4.556 -0.000 0.000 0.316 194 H C -0.983 174.327 175.328 -0.031 0.000 1.380 194 H CA -1.187 54.813 56.048 -0.079 0.000 1.160 194 H CB 0.473 30.217 29.762 -0.031 0.000 1.865 194 H HN -0.249 nan 8.280 nan 0.000 0.521 195 V N 1.849 121.785 119.914 0.037 0.000 2.509 195 V HA 0.256 4.376 4.120 -0.000 0.000 0.297 195 V C 1.573 177.601 176.094 -0.110 0.000 1.014 195 V CA 1.773 64.043 62.300 -0.050 0.000 1.127 195 V CB 0.128 31.955 31.823 0.007 0.000 0.925 195 V HN 1.419 nan 8.190 nan 0.000 0.480 196 G N 3.527 112.230 108.800 -0.162 0.000 2.160 196 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.251 196 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.251 196 G C 0.423 175.175 174.900 -0.247 0.000 1.008 196 G CA 0.228 45.246 45.100 -0.136 0.000 0.724 196 G HN 1.352 nan 8.290 nan 0.000 0.514 197 G N -0.882 107.606 108.800 -0.521 0.000 3.075 197 G HA2 0.739 4.699 3.960 -0.000 0.000 0.253 197 G HA3 0.739 4.699 3.960 -0.000 0.000 0.253 197 G C -0.076 174.676 174.900 -0.247 0.000 1.353 197 G CA 0.128 44.848 45.100 -0.633 0.000 1.051 197 G HN 0.634 nan 8.290 nan 0.000 0.553 198 E N -0.355 119.785 120.200 -0.101 0.000 2.283 198 E HA 0.417 4.767 4.350 -0.000 0.000 0.271 198 E C -0.946 175.646 176.600 -0.013 0.000 1.031 198 E CA -0.578 55.816 56.400 -0.011 0.000 0.868 198 E CB 1.765 31.507 29.700 0.069 0.000 1.094 198 E HN 0.092 nan 8.360 nan 0.000 0.401 199 V N 2.812 122.721 119.914 -0.009 0.000 2.394 199 V HA 0.355 4.475 4.120 -0.000 0.000 0.282 199 V C -0.337 175.799 176.094 0.069 0.000 1.031 199 V CA -0.142 62.147 62.300 -0.019 0.000 0.881 199 V CB 0.807 32.581 31.823 -0.081 0.000 0.982 199 V HN 0.928 nan 8.190 nan 0.000 0.451 200 D N 2.644 123.108 120.400 0.107 0.000 2.713 200 D HA 0.168 4.808 4.640 -0.000 0.000 0.306 200 D C 0.303 176.789 176.300 0.309 0.000 1.299 200 D CA -0.568 53.568 54.000 0.226 0.000 0.823 200 D CB 1.615 42.479 40.800 0.107 0.000 1.353 200 D HN 0.081 nan 8.370 nan 0.000 0.447 201 V N 0.259 120.393 119.914 0.366 0.000 2.594 201 V HA -0.156 3.964 4.120 -0.000 0.000 0.253 201 V C 2.114 178.401 176.094 0.322 0.000 1.069 201 V CA 1.805 64.356 62.300 0.418 0.000 1.082 201 V CB -0.653 31.332 31.823 0.271 0.000 0.680 201 V HN 0.550 nan 8.190 nan 0.000 0.469 202 R N 0.605 121.302 120.500 0.329 0.000 2.105 202 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 202 R C 2.516 178.953 176.300 0.228 0.000 1.135 202 R CA 1.776 58.042 56.100 0.277 0.000 0.967 202 R CB -0.515 29.940 30.300 0.259 0.000 0.861 202 R HN 0.770 nan 8.270 nan 0.000 0.442 203 S N 0.221 116.025 115.700 0.173 0.000 2.406 203 S HA -0.005 4.465 4.470 -0.000 0.000 0.228 203 S C 2.185 176.764 174.600 -0.035 0.000 1.020 203 S CA 0.699 58.945 58.200 0.077 0.000 0.965 203 S CB 0.005 63.245 63.200 0.066 0.000 0.798 203 S HN 0.348 nan 8.310 nan 0.000 0.488 204 A N 1.169 124.016 122.820 0.045 0.000 1.877 204 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 204 A C 2.057 179.622 177.584 -0.031 0.000 1.186 204 A CA 1.531 53.568 52.037 -0.001 0.000 0.620 204 A CB -1.349 17.760 19.000 0.182 0.000 0.822 204 A HN 0.652 nan 8.150 nan 0.000 0.443 205 Y N 0.427 120.702 120.300 -0.043 0.000 2.097 205 Y HA -0.311 4.240 4.550 0.000 0.000 0.282 205 Y C 2.619 178.488 175.900 -0.051 0.000 1.152 205 Y CA 1.578 59.643 58.100 -0.058 0.000 1.136 205 Y CB -1.013 37.435 38.460 -0.019 0.000 0.975 205 Y HN 0.383 nan 8.280 nan 0.000 0.498 206 C N 0.669 119.859 119.300 -0.183 0.000 2.385 206 C HA -0.257 4.203 4.460 -0.000 0.000 0.275 206 C C 3.088 177.992 174.990 -0.144 0.000 1.207 206 C CA 1.524 60.427 59.018 -0.191 0.000 1.760 206 C CB -1.902 25.838 27.740 0.001 0.000 2.051 206 C HN 0.763 nan 8.230 nan 0.000 0.467 207 A N 0.289 122.983 122.820 -0.211 0.000 1.877 207 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 207 A C 2.374 179.930 177.584 -0.046 0.000 1.186 207 A CA 2.137 54.029 52.037 -0.242 0.000 0.620 207 A CB -0.997 17.557 19.000 -0.745 0.000 0.822 207 A HN 0.610 nan 8.150 nan 0.000 0.443 208 A N -0.974 121.771 122.820 -0.124 0.000 1.972 208 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 208 A C 2.448 179.975 177.584 -0.094 0.000 1.169 208 A CA 2.115 54.029 52.037 -0.204 0.000 0.635 208 A CB -0.802 17.933 19.000 -0.441 0.000 0.810 208 A HN 0.539 nan 8.150 nan 0.000 0.446 209 S N -0.394 115.220 115.700 -0.145 0.000 2.345 209 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 209 S C 2.056 176.698 174.600 0.070 0.000 1.031 209 S CA 1.967 60.180 58.200 0.021 0.000 0.996 209 S CB -0.685 62.462 63.200 -0.087 0.000 0.882 209 S HN 0.922 nan 8.310 nan 0.000 0.445 210 V N 0.306 120.221 119.914 0.001 0.000 2.548 210 V HA 0.215 4.335 4.120 -0.000 0.000 0.249 210 V C 2.474 178.535 176.094 -0.055 0.000 1.055 210 V CA 1.457 63.729 62.300 -0.046 0.000 1.065 210 V CB -1.523 30.284 31.823 -0.028 0.000 0.681 210 V HN 0.478 nan 8.190 nan 0.000 0.462 211 A N 1.812 124.635 122.820 0.006 0.000 1.898 211 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 211 A C 2.592 180.190 177.584 0.023 0.000 1.181 211 A CA 2.443 54.498 52.037 0.030 0.000 0.620 211 A CB -0.958 18.134 19.000 0.154 0.000 0.819 211 A HN 0.889 nan 8.150 nan 0.000 0.442 212 S N 0.088 115.819 115.700 0.051 0.000 2.357 212 S HA -0.060 4.410 4.470 -0.000 0.000 0.221 212 S C 1.927 176.517 174.600 -0.017 0.000 1.031 212 S CA 1.287 59.520 58.200 0.053 0.000 0.982 212 S CB -0.813 62.458 63.200 0.118 0.000 0.853 212 S HN 0.414 nan 8.310 nan 0.000 0.458 213 L N 1.935 123.106 121.223 -0.087 0.000 2.042 213 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 213 L C 2.921 179.649 176.870 -0.236 0.000 1.076 213 L CA 1.734 56.456 54.840 -0.196 0.000 0.749 213 L CB -1.097 40.791 42.059 -0.286 0.000 0.893 213 L HN 0.639 nan 8.230 nan 0.000 0.432 214 T N -4.446 109.878 114.554 -0.382 0.000 3.144 214 T HA 0.071 4.421 4.350 -0.000 0.000 0.249 214 T C 0.787 175.273 174.700 -0.356 0.000 1.089 214 T CA 0.113 61.741 62.100 -0.787 0.000 0.989 214 T CB -0.282 68.137 68.868 -0.747 0.000 0.992 214 T HN 0.339 nan 8.240 nan 0.000 0.540 215 N N 1.254 119.874 118.700 -0.133 0.000 2.708 215 N HA -0.164 4.576 4.740 -0.000 0.000 0.255 215 N C 0.207 175.702 175.510 -0.025 0.000 1.046 215 N CA 0.903 53.935 53.050 -0.030 0.000 0.715 215 N CB -1.872 36.631 38.487 0.026 0.000 0.895 215 N HN 0.907 nan 8.380 nan 0.000 0.545 216 I N -2.649 117.906 120.570 -0.024 0.000 3.947 216 I HA 0.368 4.538 4.170 -0.000 0.000 0.327 216 I C 0.001 176.127 176.117 0.014 0.000 1.519 216 I CA -0.608 60.688 61.300 -0.006 0.000 1.122 216 I CB 0.149 38.132 38.000 -0.028 0.000 1.146 216 I HN 0.035 nan 8.210 nan 0.000 0.442 217 I N 4.054 124.652 120.570 0.047 0.000 2.406 217 I HA 0.098 4.268 4.170 -0.000 0.000 0.293 217 I C 0.962 177.120 176.117 0.069 0.000 1.101 217 I CA 0.075 61.425 61.300 0.083 0.000 1.334 217 I CB 0.607 38.713 38.000 0.177 0.000 1.421 217 I HN 0.342 nan 8.210 nan 0.000 0.513 218 T N 3.418 117.997 114.554 0.040 0.000 2.849 218 T HA 0.277 4.627 4.350 -0.000 0.000 0.284 218 T C -1.533 173.216 174.700 0.081 0.000 1.004 218 T CA -1.674 60.472 62.100 0.077 0.000 1.021 218 T CB 1.164 70.110 68.868 0.131 0.000 1.013 218 T HN 0.274 nan 8.240 nan 0.000 0.527 219 P HA -0.109 nan 4.420 nan 0.000 0.217 219 P C 0.939 178.290 177.300 0.085 0.000 1.151 219 P CA 1.356 64.505 63.100 0.082 0.000 0.849 219 P CB -0.012 31.729 31.700 0.069 0.000 0.787 220 D N -2.057 118.395 120.400 0.086 0.000 2.398 220 D HA -0.002 4.638 4.640 -0.000 0.000 0.210 220 D C 1.583 177.897 176.300 0.023 0.000 1.094 220 D CA -0.223 53.823 54.000 0.076 0.000 0.839 220 D CB -0.835 40.016 40.800 0.084 0.000 0.963 220 D HN -0.007 nan 8.370 nan 0.000 0.506 221 L N -0.111 121.060 121.223 -0.085 0.000 2.042 221 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 221 L C 0.994 177.581 176.870 -0.471 0.000 1.076 221 L CA 1.705 56.275 54.840 -0.451 0.000 0.749 221 L CB -0.593 41.046 42.059 -0.700 0.000 0.893 221 L HN -0.004 nan 8.230 nan 0.000 0.432 222 F N -0.349 119.632 119.950 0.050 0.000 2.750 222 F HA 0.246 4.773 4.527 -0.000 0.000 0.297 222 F C 0.654 176.492 175.800 0.063 0.000 1.138 222 F CA -0.872 57.185 58.000 0.094 0.000 1.346 222 F CB -0.088 38.968 39.000 0.093 0.000 0.965 222 F HN -0.090 nan 8.300 nan 0.000 0.514 223 E N 0.843 121.125 120.200 0.137 0.000 2.558 223 E HA 0.081 4.431 4.350 -0.000 0.000 0.255 223 E C 1.329 177.983 176.600 0.091 0.000 0.968 223 E CA 1.054 57.512 56.400 0.097 0.000 0.939 223 E CB 0.569 30.297 29.700 0.046 0.000 0.921 223 E HN 0.600 nan 8.360 nan 0.000 0.477 224 G N 3.478 112.342 108.800 0.106 0.000 2.234 224 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 224 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 224 G C 1.260 176.264 174.900 0.174 0.000 0.987 224 G CA 0.738 45.905 45.100 0.111 0.000 0.625 224 G HN 0.518 nan 8.290 nan 0.000 0.532 225 T N 1.056 115.739 114.554 0.215 0.000 2.737 225 T HA 0.170 4.520 4.350 -0.000 0.000 0.265 225 T C 2.803 177.662 174.700 0.264 0.000 1.038 225 T CA 2.466 64.740 62.100 0.291 0.000 1.144 225 T CB -0.494 68.630 68.868 0.427 0.000 0.866 225 T HN 1.211 nan 8.240 nan 0.000 0.434 226 A N 1.553 124.476 122.820 0.172 0.000 1.908 226 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 226 A C 2.219 179.868 177.584 0.109 0.000 1.181 226 A CA 1.845 53.949 52.037 0.111 0.000 0.627 226 A CB -0.584 18.454 19.000 0.064 0.000 0.818 226 A HN 0.440 nan 8.150 nan 0.000 0.445 227 E N -1.465 118.809 120.200 0.123 0.000 2.072 227 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 227 E C 1.583 178.250 176.600 0.111 0.000 0.985 227 E CA 1.281 57.737 56.400 0.094 0.000 0.801 227 E CB -0.362 29.392 29.700 0.090 0.000 0.750 227 E HN 0.834 nan 8.360 nan 0.000 0.452 228 W N 0.930 122.241 121.300 0.017 0.000 2.355 228 W HA -0.136 4.524 4.660 -0.000 0.000 0.309 228 W C 1.706 178.225 176.519 -0.000 0.000 1.206 228 W CA 1.501 58.853 57.345 0.010 0.000 1.284 228 W CB -0.194 29.282 29.460 0.025 0.000 1.145 228 W HN -0.014 nan 8.180 nan 0.000 0.502 229 I N 0.797 121.488 120.570 0.201 0.000 2.208 229 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 229 I C 2.595 178.605 176.117 -0.179 0.000 1.097 229 I CA 1.604 62.899 61.300 -0.008 0.000 1.363 229 I CB -1.099 36.970 38.000 0.115 0.000 1.051 229 I HN 0.105 nan 8.210 nan 0.000 0.413 230 A N 0.600 123.356 122.820 -0.105 0.000 2.019 230 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 230 A C 2.318 179.793 177.584 -0.180 0.000 1.164 230 A CA 1.258 53.224 52.037 -0.119 0.000 0.644 230 A CB -0.544 18.419 19.000 -0.061 0.000 0.805 230 A HN 0.341 nan 8.150 nan 0.000 0.449 231 R N -1.048 119.302 120.500 -0.251 0.000 2.237 231 R HA -0.081 4.259 4.340 -0.000 0.000 0.219 231 R C 1.581 177.668 176.300 -0.356 0.000 1.080 231 R CA 1.178 57.104 56.100 -0.289 0.000 0.995 231 R CB -0.547 29.548 30.300 -0.342 0.000 0.875 231 R HN 0.617 nan 8.270 nan 0.000 0.462 232 C N 0.308 119.346 119.300 -0.437 0.000 2.514 232 C HA 0.030 4.490 4.460 -0.000 0.000 0.271 232 C C 1.392 176.199 174.990 -0.305 0.000 1.399 232 C CA -0.411 58.357 59.018 -0.417 0.000 1.765 232 C CB -0.715 26.728 27.740 -0.496 0.000 1.893 232 C HN 0.447 nan 8.230 nan 0.000 0.531 233 Q N 2.689 122.333 119.800 -0.260 0.000 2.311 233 Q HA 0.140 4.480 4.340 -0.000 0.000 0.272 233 Q C 0.118 175.984 176.000 -0.223 0.000 1.012 233 Q CA 0.442 56.095 55.803 -0.250 0.000 0.891 233 Q CB 0.552 29.172 28.738 -0.197 0.000 1.201 233 Q HN 0.716 nan 8.270 nan 0.000 0.391 234 N N 3.283 121.816 118.700 -0.277 0.000 2.906 234 N HA 0.139 4.879 4.740 -0.000 0.000 0.327 234 N C 0.628 176.022 175.510 -0.192 0.000 1.344 234 N CA -0.680 52.239 53.050 -0.218 0.000 0.823 234 N CB -0.374 37.943 38.487 -0.284 0.000 1.351 234 N HN 0.884 nan 8.380 nan 0.000 0.604 235 W N -0.609 120.640 121.300 -0.086 0.000 2.480 235 W HA 0.027 4.687 4.660 -0.000 0.000 0.257 235 W C 0.189 176.688 176.519 -0.034 0.000 1.235 235 W CA 0.575 57.890 57.345 -0.050 0.000 1.218 235 W CB -0.705 28.737 29.460 -0.031 0.000 1.131 235 W HN 0.579 nan 8.180 nan 0.000 0.606 236 E N 0.121 119.866 120.200 -0.758 0.000 2.318 236 E HA 0.157 4.507 4.350 -0.000 0.000 0.193 236 E C 2.095 178.514 176.600 -0.302 0.000 0.998 236 E CA 0.786 56.785 56.400 -0.668 0.000 0.859 236 E CB -0.144 29.003 29.700 -0.921 0.000 0.812 236 E HN 0.384 nan 8.360 nan 0.000 0.492 237 G N 0.782 109.369 108.800 -0.355 0.000 2.284 237 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 237 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 237 G C 0.581 175.191 174.900 -0.485 0.000 1.009 237 G CA -0.229 44.721 45.100 -0.248 0.000 0.625 237 G HN 0.510 nan 8.290 nan 0.000 0.501 238 G N -0.396 107.751 108.800 -1.087 0.000 2.532 238 G HA2 0.657 4.617 3.960 -0.000 0.000 0.291 238 G HA3 0.657 4.617 3.960 -0.000 0.000 0.291 238 G C -0.246 174.162 174.900 -0.821 0.000 1.349 238 G CA -0.589 43.647 45.100 -1.440 0.000 1.038 238 G HN 0.660 nan 8.290 nan 0.000 0.518 239 I N 0.131 120.304 120.570 -0.662 0.000 2.474 239 I HA 0.480 4.650 4.170 -0.000 0.000 0.294 239 I C 0.742 176.708 176.117 -0.253 0.000 1.005 239 I CA -0.743 60.335 61.300 -0.369 0.000 1.113 239 I CB 2.087 39.948 38.000 -0.233 0.000 1.289 239 I HN 0.579 nan 8.210 nan 0.000 0.436 240 G N 2.517 111.165 108.800 -0.254 0.000 2.491 240 G HA2 0.444 4.404 3.960 -0.000 0.000 0.327 240 G HA3 0.444 4.404 3.960 -0.000 0.000 0.327 240 G C 0.849 175.485 174.900 -0.440 0.000 1.189 240 G CA -0.203 44.756 45.100 -0.236 0.000 0.956 240 G HN 0.783 nan 8.290 nan 0.000 0.491 241 G N -1.249 107.053 108.800 -0.829 0.000 2.418 241 G HA2 0.212 4.172 3.960 -0.000 0.000 0.217 241 G HA3 0.212 4.172 3.960 -0.000 0.000 0.217 241 G C 0.704 175.324 174.900 -0.466 0.000 1.158 241 G CA 1.947 46.277 45.100 -1.283 0.000 0.771 241 G HN 1.493 nan 8.290 nan 0.000 0.545 242 V N -4.569 115.157 119.914 -0.315 0.000 3.130 242 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 242 V C -2.992 172.952 176.094 -0.250 0.000 1.158 242 V CA -3.015 59.170 62.300 -0.193 0.000 1.029 242 V CB 1.714 33.534 31.823 -0.006 0.000 1.057 242 V HN -0.116 nan 8.190 nan 0.000 0.436 243 P HA 0.344 nan 4.420 nan 0.000 0.261 243 P C 0.932 178.153 177.300 -0.131 0.000 1.183 243 P CA 2.095 65.048 63.100 -0.245 0.000 0.761 243 P CB 0.523 32.080 31.700 -0.237 0.000 0.785 244 G N 2.129 110.867 108.800 -0.105 0.000 2.238 244 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 244 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 244 G C 0.180 175.069 174.900 -0.018 0.000 0.996 244 G CA -0.477 44.602 45.100 -0.035 0.000 0.632 244 G HN 0.393 nan 8.290 nan 0.000 0.503 245 M N 1.389 120.946 119.600 -0.072 0.000 2.288 245 M HA 0.400 4.880 4.480 -0.000 0.000 0.334 245 M C 0.739 177.004 176.300 -0.060 0.000 1.150 245 M CA -0.773 54.493 55.300 -0.056 0.000 1.118 245 M CB 0.893 33.433 32.600 -0.101 0.000 1.501 245 M HN 0.386 nan 8.290 nan 0.000 0.462 246 E N 1.149 121.348 120.200 -0.001 0.000 2.467 246 E HA 0.200 4.550 4.350 -0.000 0.000 0.264 246 E C -0.660 175.906 176.600 -0.056 0.000 1.020 246 E CA -0.276 56.119 56.400 -0.008 0.000 0.945 246 E CB 0.721 30.469 29.700 0.079 0.000 0.942 246 E HN 0.699 nan 8.360 nan 0.000 0.449 247 A N 4.753 127.468 122.820 -0.175 0.000 2.440 247 A HA 0.157 4.477 4.320 -0.000 0.000 0.251 247 A C -0.533 177.085 177.584 0.057 0.000 1.089 247 A CA -0.071 51.801 52.037 -0.275 0.000 0.779 247 A CB 0.491 19.018 19.000 -0.787 0.000 1.022 247 A HN 0.712 nan 8.150 nan 0.000 0.492 248 H N 1.259 120.336 119.070 0.012 0.000 2.894 248 H HA 0.369 4.925 4.556 -0.000 0.000 0.367 248 H C 1.247 176.688 175.328 0.188 0.000 1.144 248 H CA 0.173 56.325 56.048 0.173 0.000 1.180 248 H CB 1.886 31.751 29.762 0.172 0.000 1.758 248 H HN 0.714 nan 8.280 nan 0.000 0.541 249 G N 2.281 111.090 108.800 0.015 0.000 2.505 249 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 249 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 249 G C 1.484 176.498 174.900 0.191 0.000 1.145 249 G CA 0.961 46.133 45.100 0.121 0.000 0.761 249 G HN 0.662 nan 8.290 nan 0.000 0.571 250 G N -0.265 108.637 108.800 0.169 0.000 2.402 250 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 250 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 250 G C 1.615 176.364 174.900 -0.252 0.000 1.162 250 G CA 0.850 45.746 45.100 -0.340 0.000 0.777 250 G HN 0.522 nan 8.290 nan 0.000 0.539 251 Y N 0.966 121.268 120.300 0.004 0.000 2.263 251 Y HA -0.053 4.497 4.550 -0.000 0.000 0.292 251 Y C 3.314 179.192 175.900 -0.036 0.000 1.130 251 Y CA 1.230 59.312 58.100 -0.030 0.000 1.179 251 Y CB -0.311 38.125 38.460 -0.040 0.000 0.998 251 Y HN 0.101 nan 8.280 nan 0.000 0.532 252 T N 0.645 115.271 114.554 0.118 0.000 2.708 252 T HA -0.231 4.119 4.350 -0.000 0.000 0.266 252 T C 1.586 176.305 174.700 0.031 0.000 1.037 252 T CA 1.510 63.618 62.100 0.013 0.000 1.146 252 T CB -0.735 68.116 68.868 -0.028 0.000 0.865 252 T HN 0.346 nan 8.240 nan 0.000 0.435 253 F N 1.547 121.494 119.950 -0.006 0.000 2.091 253 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 253 F C 2.417 178.139 175.800 -0.130 0.000 1.103 253 F CA 0.937 58.916 58.000 -0.036 0.000 1.228 253 F CB -0.775 38.287 39.000 0.103 0.000 0.984 253 F HN 0.169 nan 8.300 nan 0.000 0.477 254 C N 0.663 119.877 119.300 -0.143 0.000 2.429 254 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 254 C C 3.106 177.983 174.990 -0.189 0.000 1.262 254 C CA 1.172 60.001 59.018 -0.316 0.000 1.733 254 C CB -1.917 25.804 27.740 -0.031 0.000 2.010 254 C HN 0.739 nan 8.230 nan 0.000 0.483 255 G N 0.224 108.972 108.800 -0.088 0.000 2.433 255 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 255 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 255 G C 1.508 176.341 174.900 -0.111 0.000 1.186 255 G CA 0.940 46.009 45.100 -0.051 0.000 0.779 255 G HN 0.428 nan 8.290 nan 0.000 0.543 256 L N 1.435 122.551 121.223 -0.177 0.000 2.017 256 L HA 0.164 4.504 4.340 -0.000 0.000 0.208 256 L C 3.082 179.816 176.870 -0.226 0.000 1.073 256 L CA 2.168 56.901 54.840 -0.178 0.000 0.745 256 L CB -0.800 41.159 42.059 -0.167 0.000 0.894 256 L HN 0.245 nan 8.230 nan 0.000 0.432 257 A N -0.608 121.965 122.820 -0.411 0.000 1.933 257 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 257 A C 2.440 179.955 177.584 -0.116 0.000 1.175 257 A CA 1.810 53.621 52.037 -0.377 0.000 0.628 257 A CB -1.115 17.407 19.000 -0.797 0.000 0.814 257 A HN 0.572 nan 8.150 nan 0.000 0.444 258 A N -0.196 122.603 122.820 -0.034 0.000 1.902 258 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 258 A C 2.165 179.693 177.584 -0.094 0.000 1.181 258 A CA 1.456 53.482 52.037 -0.019 0.000 0.623 258 A CB -0.610 18.407 19.000 0.029 0.000 0.818 258 A HN 0.470 nan 8.150 nan 0.000 0.443 259 L N -0.541 120.636 121.223 -0.077 0.000 2.046 259 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 259 L C 2.547 179.378 176.870 -0.065 0.000 1.077 259 L CA 1.136 55.936 54.840 -0.066 0.000 0.747 259 L CB -0.654 41.376 42.059 -0.049 0.000 0.896 259 L HN 0.247 nan 8.230 nan 0.000 0.432 260 V N 0.316 120.188 119.914 -0.070 0.000 2.287 260 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 260 V C 2.351 178.419 176.094 -0.043 0.000 1.053 260 V CA 2.001 64.273 62.300 -0.047 0.000 1.027 260 V CB -0.347 31.445 31.823 -0.052 0.000 0.646 260 V HN 0.323 nan 8.190 nan 0.000 0.447 261 I N -0.455 120.068 120.570 -0.078 0.000 2.208 261 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 261 I C 2.055 178.123 176.117 -0.082 0.000 1.097 261 I CA 1.713 62.966 61.300 -0.078 0.000 1.363 261 I CB -0.237 37.685 38.000 -0.130 0.000 1.051 261 I HN 0.271 nan 8.210 nan 0.000 0.413 262 L N 0.088 121.238 121.223 -0.121 0.000 2.558 262 L HA 0.029 4.369 4.340 -0.000 0.000 0.225 262 L C 0.464 177.312 176.870 -0.038 0.000 1.128 262 L CA 0.234 55.008 54.840 -0.110 0.000 0.868 262 L CB -0.274 41.690 42.059 -0.159 0.000 1.006 262 L HN 0.194 nan 8.230 nan 0.000 0.454 263 K N 0.568 120.953 120.400 -0.024 0.000 3.181 263 K HA -0.152 4.168 4.320 -0.000 0.000 0.269 263 K C -0.053 176.548 176.600 0.001 0.000 1.097 263 K CA 0.262 56.550 56.287 0.000 0.000 0.783 263 K CB -0.979 31.530 32.500 0.015 0.000 1.267 263 K HN 0.166 nan 8.250 nan 0.000 0.484 264 K N 0.035 120.429 120.400 -0.009 0.000 2.619 264 K HA 0.060 4.380 4.320 -0.000 0.000 0.201 264 K C 0.373 176.969 176.600 -0.007 0.000 1.090 264 K CA -0.023 56.263 56.287 -0.002 0.000 1.063 264 K CB 0.846 33.347 32.500 0.001 0.000 0.810 264 K HN 0.180 nan 8.250 nan 0.000 0.506 265 E N 0.974 121.169 120.200 -0.010 0.000 2.187 265 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 265 E C 1.501 178.096 176.600 -0.008 0.000 1.004 265 E CA 1.336 57.728 56.400 -0.013 0.000 0.813 265 E CB -0.118 29.579 29.700 -0.005 0.000 0.736 265 E HN 0.212 nan 8.360 nan 0.000 0.468 266 R N 0.275 120.775 120.500 -0.001 0.000 2.237 266 R HA 0.033 4.373 4.340 -0.000 0.000 0.219 266 R C 2.001 178.299 176.300 -0.003 0.000 1.080 266 R CA 0.940 57.041 56.100 0.001 0.000 0.995 266 R CB -0.094 30.210 30.300 0.006 0.000 0.875 266 R HN 0.054 nan 8.270 nan 0.000 0.462 267 S N 0.819 116.516 115.700 -0.005 0.000 2.469 267 S HA -0.033 4.437 4.470 -0.000 0.000 0.238 267 S C 0.884 175.472 174.600 -0.021 0.000 0.998 267 S CA 0.718 58.913 58.200 -0.008 0.000 0.957 267 S CB -0.056 63.141 63.200 -0.004 0.000 0.764 267 S HN 0.181 nan 8.310 nan 0.000 0.514 268 L N 1.789 122.997 121.223 -0.026 0.000 2.375 268 L HA 0.356 4.696 4.340 -0.000 0.000 0.268 268 L C 0.495 177.350 176.870 -0.025 0.000 1.058 268 L CA -0.790 54.027 54.840 -0.038 0.000 0.803 268 L CB 0.372 42.403 42.059 -0.048 0.000 1.212 268 L HN -0.003 nan 8.230 nan 0.000 0.451 269 N N 1.952 120.634 118.700 -0.030 0.000 2.508 269 N HA 0.105 4.845 4.740 -0.000 0.000 0.253 269 N C 0.695 176.200 175.510 -0.007 0.000 1.145 269 N CA 0.168 53.210 53.050 -0.015 0.000 0.973 269 N CB 0.465 38.943 38.487 -0.015 0.000 1.305 269 N HN 0.568 nan 8.380 nan 0.000 0.506 270 L N 2.149 123.375 121.223 0.004 0.000 2.191 270 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 270 L C 2.381 179.273 176.870 0.038 0.000 1.103 270 L CA 0.920 55.771 54.840 0.018 0.000 0.769 270 L CB -0.191 41.881 42.059 0.023 0.000 0.908 270 L HN 0.538 nan 8.230 nan 0.000 0.438 271 K N 0.542 120.964 120.400 0.036 0.000 2.007 271 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 271 K C 2.351 178.988 176.600 0.062 0.000 1.047 271 K CA 1.781 58.098 56.287 0.050 0.000 0.937 271 K CB -0.021 32.505 32.500 0.042 0.000 0.718 271 K HN 0.332 nan 8.250 nan 0.000 0.438 272 S N 1.370 117.099 115.700 0.048 0.000 2.402 272 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 272 S C 2.042 176.692 174.600 0.084 0.000 1.021 272 S CA 0.913 59.149 58.200 0.059 0.000 0.974 272 S CB -0.458 62.761 63.200 0.032 0.000 0.800 272 S HN 0.334 nan 8.310 nan 0.000 0.484 273 L N 1.605 122.860 121.223 0.054 0.000 2.017 273 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 273 L C 2.261 179.241 176.870 0.183 0.000 1.073 273 L CA 1.765 56.654 54.840 0.083 0.000 0.745 273 L CB -1.278 40.792 42.059 0.018 0.000 0.894 273 L HN 0.430 nan 8.230 nan 0.000 0.432 274 L N -0.304 121.000 121.223 0.135 0.000 2.079 274 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 274 L C 2.582 179.545 176.870 0.155 0.000 1.081 274 L CA 2.279 57.206 54.840 0.146 0.000 0.752 274 L CB -0.777 41.354 42.059 0.121 0.000 0.896 274 L HN 0.613 nan 8.230 nan 0.000 0.433 275 Q N -1.633 118.254 119.800 0.145 0.000 2.119 275 Q HA -0.269 4.071 4.340 -0.000 0.000 0.201 275 Q C 2.061 178.148 176.000 0.145 0.000 0.972 275 Q CA 2.116 57.996 55.803 0.129 0.000 0.847 275 Q CB -0.533 28.272 28.738 0.112 0.000 0.903 275 Q HN 0.675 nan 8.270 nan 0.000 0.433 276 W N -0.210 121.090 121.300 -0.001 0.000 2.354 276 W HA -0.220 4.439 4.660 -0.000 0.000 0.315 276 W C 2.044 178.561 176.519 -0.004 0.000 1.206 276 W CA 1.784 59.114 57.345 -0.027 0.000 1.290 276 W CB -0.683 28.735 29.460 -0.070 0.000 1.152 276 W HN 0.074 nan 8.180 nan 0.000 0.489 277 V N 1.293 121.283 119.914 0.127 0.000 2.343 277 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 277 V C 2.445 178.507 176.094 -0.055 0.000 1.051 277 V CA 3.252 65.481 62.300 -0.119 0.000 1.036 277 V CB -1.177 30.711 31.823 0.109 0.000 0.654 277 V HN 0.477 nan 8.190 nan 0.000 0.451 278 T N -2.942 111.643 114.554 0.051 0.000 2.881 278 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 278 T C 1.853 176.545 174.700 -0.014 0.000 1.068 278 T CA 1.728 63.888 62.100 0.100 0.000 1.131 278 T CB -0.575 68.370 68.868 0.128 0.000 0.871 278 T HN 0.463 nan 8.240 nan 0.000 0.479 279 S N 0.998 116.635 115.700 -0.105 0.000 2.515 279 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 279 S C 1.924 176.370 174.600 -0.257 0.000 0.987 279 S CA 0.101 58.203 58.200 -0.163 0.000 0.936 279 S CB -0.185 62.917 63.200 -0.162 0.000 0.766 279 S HN 0.426 nan 8.310 nan 0.000 0.528 280 R N 1.210 121.522 120.500 -0.313 0.000 2.299 280 R HA 0.164 4.504 4.340 -0.000 0.000 0.197 280 R C 0.801 176.914 176.300 -0.311 0.000 0.971 280 R CA 0.084 55.995 56.100 -0.315 0.000 1.030 280 R CB -0.293 29.767 30.300 -0.400 0.000 0.932 280 R HN 0.503 nan 8.270 nan 0.000 0.477 281 Q N 1.109 120.589 119.800 -0.533 0.000 2.288 281 Q HA 0.150 4.490 4.340 -0.000 0.000 0.258 281 Q C -0.503 175.232 176.000 -0.441 0.000 0.957 281 Q CA -0.225 55.014 55.803 -0.940 0.000 0.919 281 Q CB 0.773 28.910 28.738 -1.001 0.000 1.185 281 Q HN -0.132 nan 8.270 nan 0.000 0.408 282 M N 4.388 123.764 119.600 -0.374 0.000 2.146 282 M HA 0.112 4.592 4.480 -0.000 0.000 0.352 282 M C 1.084 177.325 176.300 -0.099 0.000 1.343 282 M CA 0.371 55.563 55.300 -0.180 0.000 1.115 282 M CB 0.524 33.042 32.600 -0.136 0.000 1.657 282 M HN 0.686 nan 8.290 nan 0.000 0.471 283 R N 1.477 121.956 120.500 -0.036 0.000 2.096 283 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 283 R C 1.499 177.838 176.300 0.065 0.000 1.127 283 R CA 1.554 57.661 56.100 0.011 0.000 0.968 283 R CB -0.463 29.842 30.300 0.009 0.000 0.861 283 R HN 0.544 nan 8.270 nan 0.000 0.440 284 F N 1.931 121.854 119.950 -0.046 0.000 2.164 284 F HA 0.110 4.638 4.527 0.000 0.000 0.287 284 F C 1.772 177.731 175.800 0.265 0.000 1.086 284 F CA 1.218 59.219 58.000 0.001 0.000 1.249 284 F CB 0.109 39.100 39.000 -0.015 0.000 1.059 284 F HN -0.103 nan 8.300 nan 0.000 0.490 285 E N 0.079 120.394 120.200 0.193 0.000 2.150 285 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 285 E C 1.857 178.489 176.600 0.054 0.000 0.985 285 E CA 1.252 57.717 56.400 0.109 0.000 0.814 285 E CB -0.576 29.107 29.700 -0.028 0.000 0.752 285 E HN 0.604 nan 8.360 nan 0.000 0.466 286 G N -0.219 108.556 108.800 -0.041 0.000 2.241 286 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 286 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 286 G C 0.664 175.468 174.900 -0.159 0.000 0.998 286 G CA 0.073 45.143 45.100 -0.050 0.000 0.621 286 G HN 0.629 nan 8.290 nan 0.000 0.519 287 G N -0.730 107.821 108.800 -0.415 0.000 2.525 287 G HA2 0.602 4.562 3.960 -0.000 0.000 0.287 287 G HA3 0.602 4.562 3.960 -0.000 0.000 0.287 287 G C -0.565 174.138 174.900 -0.329 0.000 1.350 287 G CA -0.759 44.104 45.100 -0.396 0.000 1.039 287 G HN 0.302 nan 8.290 nan 0.000 0.513 288 F N -0.242 119.639 119.950 -0.115 0.000 2.480 288 F HA 0.381 4.908 4.527 0.000 0.000 0.329 288 F C 0.723 176.504 175.800 -0.031 0.000 1.091 288 F CA -0.671 57.277 58.000 -0.087 0.000 0.972 288 F CB 2.173 41.129 39.000 -0.073 0.000 1.150 288 F HN 0.527 nan 8.300 nan 0.000 0.467 289 Q N 1.211 121.021 119.800 0.016 0.000 2.212 289 Q HA 0.534 4.874 4.340 -0.000 0.000 0.238 289 Q C 0.460 176.197 176.000 -0.438 0.000 0.955 289 Q CA -0.436 55.319 55.803 -0.079 0.000 0.906 289 Q CB 1.670 30.338 28.738 -0.118 0.000 1.215 289 Q HN 0.841 nan 8.270 nan 0.000 0.478 290 G N 1.043 109.394 108.800 -0.749 0.000 2.603 290 G HA2 0.069 4.029 3.960 -0.000 0.000 0.214 290 G HA3 0.069 4.029 3.960 -0.000 0.000 0.214 290 G C 0.110 174.521 174.900 -0.815 0.000 1.140 290 G CA 0.117 44.390 45.100 -1.378 0.000 0.800 290 G HN 0.727 nan 8.290 nan 0.000 0.533 291 R N -2.308 117.944 120.500 -0.412 0.000 2.690 291 R HA 0.386 4.726 4.340 -0.000 0.000 0.269 291 R C -1.257 174.981 176.300 -0.103 0.000 1.037 291 R CA -0.932 55.074 56.100 -0.158 0.000 0.877 291 R CB -0.010 30.276 30.300 -0.024 0.000 1.255 291 R HN -0.037 nan 8.270 nan 0.000 0.467 292 C N 2.551 121.831 119.300 -0.032 0.000 2.596 292 C HA 0.093 4.553 4.460 -0.000 0.000 0.414 292 C C 0.650 175.641 174.990 0.001 0.000 1.396 292 C CA 1.122 60.120 59.018 -0.033 0.000 1.698 292 C CB -1.379 26.375 27.740 0.024 0.000 2.572 292 C HN 0.977 nan 8.230 nan 0.000 0.604 293 N N 2.540 121.232 118.700 -0.015 0.000 2.782 293 N HA -0.132 4.608 4.740 -0.000 0.000 0.251 293 N C -0.310 175.208 175.510 0.013 0.000 1.101 293 N CA 1.301 54.355 53.050 0.006 0.000 0.764 293 N CB -0.691 37.813 38.487 0.029 0.000 1.122 293 N HN 0.798 nan 8.380 nan 0.000 0.561 294 K N -0.125 120.276 120.400 0.002 0.000 2.380 294 K HA 0.583 4.903 4.320 -0.000 0.000 0.243 294 K C 0.597 177.211 176.600 0.023 0.000 1.071 294 K CA -0.769 55.533 56.287 0.024 0.000 0.942 294 K CB 0.969 33.496 32.500 0.046 0.000 1.324 294 K HN -0.074 nan 8.250 nan 0.000 0.517 295 L N 1.010 122.268 121.223 0.059 0.000 2.360 295 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 295 L C 0.400 177.330 176.870 0.101 0.000 1.057 295 L CA -0.963 53.918 54.840 0.068 0.000 0.803 295 L CB 1.344 43.450 42.059 0.078 0.000 1.207 295 L HN 0.255 nan 8.230 nan 0.000 0.445 296 V N 1.336 121.292 119.914 0.071 0.000 2.963 296 V HA 0.130 4.250 4.120 -0.000 0.000 0.306 296 V C -0.555 175.650 176.094 0.185 0.000 1.077 296 V CA 0.484 62.828 62.300 0.072 0.000 1.124 296 V CB 1.356 33.122 31.823 -0.096 0.000 0.987 296 V HN 0.884 nan 8.190 nan 0.000 0.487 297 D N 2.915 123.480 120.400 0.276 0.000 2.931 297 D HA 0.338 4.978 4.640 -0.000 0.000 0.215 297 D C 0.727 177.203 176.300 0.293 0.000 1.297 297 D CA 0.193 54.356 54.000 0.272 0.000 0.892 297 D CB 1.692 42.609 40.800 0.195 0.000 1.642 297 D HN 0.601 nan 8.370 nan 0.000 0.560 298 G N 1.845 110.856 108.800 0.351 0.000 2.507 298 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.221 298 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.221 298 G C 1.731 176.767 174.900 0.227 0.000 1.119 298 G CA 1.432 46.747 45.100 0.357 0.000 0.751 298 G HN 0.755 nan 8.290 nan 0.000 0.574 299 C N -1.467 117.915 119.300 0.137 0.000 2.432 299 C HA 0.154 4.614 4.460 -0.000 0.000 0.282 299 C C 2.332 177.270 174.990 -0.087 0.000 1.388 299 C CA 0.161 59.127 59.018 -0.088 0.000 1.777 299 C CB -1.638 25.964 27.740 -0.231 0.000 1.882 299 C HN 0.473 nan 8.230 nan 0.000 0.520 300 Y N 2.164 122.574 120.300 0.184 0.000 2.583 300 Y HA -0.038 4.512 4.550 -0.000 0.000 0.293 300 Y C 2.693 178.541 175.900 -0.087 0.000 1.157 300 Y CA 0.580 58.746 58.100 0.108 0.000 1.315 300 Y CB -0.315 38.223 38.460 0.129 0.000 1.021 300 Y HN 0.315 nan 8.280 nan 0.000 0.536 301 S N 0.173 115.944 115.700 0.119 0.000 2.419 301 S HA -0.216 4.254 4.470 -0.000 0.000 0.235 301 S C 1.523 176.035 174.600 -0.146 0.000 1.019 301 S CA 1.483 59.696 58.200 0.022 0.000 0.982 301 S CB -0.375 62.914 63.200 0.149 0.000 0.789 301 S HN 0.569 nan 8.310 nan 0.000 0.490 302 F N 0.262 120.030 119.950 -0.304 0.000 2.298 302 F HA 0.199 4.726 4.527 -0.000 0.000 0.282 302 F C 1.621 177.108 175.800 -0.522 0.000 1.045 302 F CA 0.085 57.806 58.000 -0.464 0.000 1.280 302 F CB -0.519 38.143 39.000 -0.562 0.000 1.114 302 F HN 0.125 nan 8.300 nan 0.000 0.546 303 W N 1.131 122.239 121.300 -0.319 0.000 2.338 303 W HA -0.195 4.465 4.660 -0.000 0.000 0.304 303 W C 2.400 178.711 176.519 -0.347 0.000 1.212 303 W CA 1.060 58.170 57.345 -0.392 0.000 1.264 303 W CB -0.603 28.828 29.460 -0.048 0.000 1.142 303 W HN 0.075 nan 8.180 nan 0.000 0.512 304 Q N 0.120 119.807 119.800 -0.189 0.000 2.013 304 Q HA -0.011 4.329 4.340 -0.000 0.000 0.195 304 Q C 2.496 178.021 176.000 -0.791 0.000 0.974 304 Q CA 1.583 57.107 55.803 -0.465 0.000 0.826 304 Q CB -1.385 26.967 28.738 -0.643 0.000 0.895 304 Q HN 0.297 nan 8.270 nan 0.000 0.448 305 A N 1.106 123.200 122.820 -1.210 0.000 1.972 305 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 305 A C 2.238 179.365 177.584 -0.762 0.000 1.169 305 A CA 1.652 52.946 52.037 -1.239 0.000 0.635 305 A CB -1.045 17.140 19.000 -1.357 0.000 0.810 305 A HN 0.465 nan 8.150 nan 0.000 0.446 306 G N -0.417 107.945 108.800 -0.729 0.000 2.501 306 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 306 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 306 G C 1.365 176.066 174.900 -0.331 0.000 1.114 306 G CA 0.894 45.590 45.100 -0.673 0.000 0.757 306 G HN 0.477 nan 8.290 nan 0.000 0.559 307 L N -0.541 120.531 121.223 -0.251 0.000 2.313 307 L HA 0.131 4.471 4.340 -0.000 0.000 0.214 307 L C 2.658 179.471 176.870 -0.095 0.000 1.119 307 L CA 0.144 54.921 54.840 -0.104 0.000 0.809 307 L CB -0.131 41.908 42.059 -0.032 0.000 0.933 307 L HN 0.192 nan 8.230 nan 0.000 0.449 308 L N -0.350 120.789 121.223 -0.139 0.000 2.072 308 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 308 L C -0.306 176.539 176.870 -0.041 0.000 1.079 308 L CA 1.146 56.001 54.840 0.025 0.000 0.752 308 L CB -1.450 40.755 42.059 0.244 0.000 0.906 308 L HN 0.179 nan 8.230 nan 0.000 0.436 309 P HA -0.151 nan 4.420 nan 0.000 0.218 309 P C 1.840 179.069 177.300 -0.118 0.000 1.149 309 P CA 1.310 64.036 63.100 -0.624 0.000 0.817 309 P CB 0.091 31.211 31.700 -0.967 0.000 0.785 310 L N -1.675 119.488 121.223 -0.101 0.000 2.056 310 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 310 L C 2.445 179.342 176.870 0.044 0.000 1.078 310 L CA 1.219 56.041 54.840 -0.031 0.000 0.749 310 L CB -0.925 41.089 42.059 -0.075 0.000 0.901 310 L HN -0.049 nan 8.230 nan 0.000 0.433 311 L N -1.049 120.217 121.223 0.072 0.000 2.056 311 L HA -0.247 4.093 4.340 -0.000 0.000 0.207 311 L C 2.626 179.601 176.870 0.175 0.000 1.078 311 L CA 1.219 56.125 54.840 0.110 0.000 0.749 311 L CB -0.611 41.521 42.059 0.122 0.000 0.901 311 L HN 0.288 nan 8.230 nan 0.000 0.433 312 H N 0.202 119.376 119.070 0.174 0.000 2.289 312 H HA -0.249 4.307 4.556 -0.000 0.000 0.296 312 H C 2.498 177.946 175.328 0.199 0.000 1.091 312 H CA 2.245 58.445 56.048 0.252 0.000 1.274 312 H CB 0.075 30.099 29.762 0.438 0.000 1.364 312 H HN 0.085 nan 8.280 nan 0.000 0.490 313 R N 0.119 120.804 120.500 0.308 0.000 2.096 313 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 313 R C 2.304 178.696 176.300 0.153 0.000 1.127 313 R CA 1.248 57.472 56.100 0.208 0.000 0.968 313 R CB -0.377 30.005 30.300 0.137 0.000 0.861 313 R HN 0.418 nan 8.270 nan 0.000 0.440 314 A N 1.151 124.038 122.820 0.112 0.000 1.873 314 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 314 A C 2.213 179.839 177.584 0.069 0.000 1.186 314 A CA 1.051 53.134 52.037 0.076 0.000 0.616 314 A CB -0.508 18.522 19.000 0.050 0.000 0.823 314 A HN 0.342 nan 8.150 nan 0.000 0.442 315 L N -1.247 120.015 121.223 0.064 0.000 2.131 315 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 315 L C 2.682 179.570 176.870 0.031 0.000 1.092 315 L CA 1.476 56.337 54.840 0.036 0.000 0.759 315 L CB -0.616 41.458 42.059 0.025 0.000 0.903 315 L HN 0.602 nan 8.230 nan 0.000 0.435 316 H N 0.254 119.289 119.070 -0.058 0.000 2.423 316 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 316 H C 2.044 177.372 175.328 -0.000 0.000 1.075 316 H CA 1.348 57.367 56.048 -0.047 0.000 1.342 316 H CB 0.452 30.186 29.762 -0.046 0.000 1.395 316 H HN 0.334 nan 8.280 nan 0.000 0.530 317 A N 0.500 123.370 122.820 0.084 0.000 2.066 317 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 317 A C 2.144 179.718 177.584 -0.017 0.000 1.157 317 A CA 0.756 52.816 52.037 0.039 0.000 0.670 317 A CB -0.222 18.824 19.000 0.076 0.000 0.804 317 A HN 0.511 nan 8.150 nan 0.000 0.453 318 Q N -1.441 118.347 119.800 -0.020 0.000 2.403 318 Q HA 0.234 4.574 4.340 -0.000 0.000 0.203 318 Q C 1.050 177.018 176.000 -0.054 0.000 0.932 318 Q CA 0.325 56.114 55.803 -0.025 0.000 0.945 318 Q CB 0.102 28.836 28.738 -0.007 0.000 1.045 318 Q HN 0.833 nan 8.270 nan 0.000 0.511 319 G N 1.567 110.300 108.800 -0.111 0.000 2.159 319 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 319 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 319 G C -0.166 174.669 174.900 -0.109 0.000 0.977 319 G CA 0.123 45.141 45.100 -0.137 0.000 0.652 319 G HN 0.398 nan 8.290 nan 0.000 0.531 320 D N 1.066 121.416 120.400 -0.084 0.000 2.570 320 D HA 0.187 4.827 4.640 -0.000 0.000 0.243 320 D C 0.041 176.320 176.300 -0.036 0.000 1.171 320 D CA -0.444 53.531 54.000 -0.041 0.000 0.879 320 D CB 1.122 41.910 40.800 -0.019 0.000 1.143 320 D HN 0.287 nan 8.370 nan 0.000 0.511 321 P HA 0.111 nan 4.420 nan 0.000 0.252 321 P C 0.564 177.877 177.300 0.021 0.000 1.218 321 P CA 0.065 63.165 63.100 -0.000 0.000 0.807 321 P CB 0.452 32.150 31.700 -0.004 0.000 1.072 322 A N -0.012 122.821 122.820 0.022 0.000 2.238 322 A HA 0.151 4.471 4.320 -0.000 0.000 0.208 322 A C 1.152 178.765 177.584 0.048 0.000 1.177 322 A CA -0.090 51.966 52.037 0.031 0.000 0.804 322 A CB -0.892 18.125 19.000 0.029 0.000 0.823 322 A HN 0.141 nan 8.150 nan 0.000 0.482 323 L N 1.022 122.279 121.223 0.057 0.000 2.453 323 L HA 0.090 4.430 4.340 -0.000 0.000 0.272 323 L C 1.166 178.114 176.870 0.130 0.000 1.182 323 L CA -0.297 54.596 54.840 0.088 0.000 0.858 323 L CB 0.827 42.898 42.059 0.021 0.000 1.120 323 L HN 0.318 nan 8.230 nan 0.000 0.474 324 S N 3.022 118.813 115.700 0.151 0.000 2.576 324 S HA 0.084 4.554 4.470 -0.000 0.000 0.272 324 S C 0.786 175.446 174.600 0.100 0.000 1.352 324 S CA -0.254 57.989 58.200 0.070 0.000 1.021 324 S CB 0.558 63.758 63.200 -0.002 0.000 0.887 324 S HN 0.606 nan 8.310 nan 0.000 0.542 325 M N 2.820 122.380 119.600 -0.066 0.000 2.346 325 M HA 0.158 4.638 4.480 -0.000 0.000 0.280 325 M C 1.012 177.057 176.300 -0.425 0.000 1.075 325 M CA 0.217 55.493 55.300 -0.040 0.000 0.989 325 M CB -0.224 32.383 32.600 0.010 0.000 1.447 325 M HN 0.854 nan 8.290 nan 0.000 0.511 326 S N -2.169 112.933 115.700 -0.996 0.000 2.684 326 S HA 0.233 4.703 4.470 -0.000 0.000 0.268 326 S C 0.123 173.439 174.600 -2.140 0.000 1.075 326 S CA -0.364 56.956 58.200 -1.466 0.000 1.184 326 S CB 0.588 63.244 63.200 -0.906 0.000 1.129 326 S HN 0.473 nan 8.310 nan 0.000 0.630 327 H N -0.839 117.306 119.070 -1.543 0.000 2.930 327 H HA 0.543 5.099 4.556 0.000 0.000 0.371 327 H C -1.367 173.666 175.328 -0.491 0.000 1.169 327 H CA -0.858 54.643 56.048 -0.912 0.000 1.157 327 H CB 0.888 30.370 29.762 -0.468 0.000 1.789 327 H HN 0.305 nan 8.280 nan 0.000 0.547 328 W N 2.295 123.662 121.300 0.112 0.000 2.161 328 W HA 0.190 4.850 4.660 -0.000 0.000 0.344 328 W C 0.656 177.229 176.519 0.090 0.000 1.262 328 W CA -0.666 56.787 57.345 0.181 0.000 1.270 328 W CB 0.485 30.069 29.460 0.207 0.000 1.126 328 W HN 0.386 nan 8.180 nan 0.000 0.598 329 M N 3.387 123.292 119.600 0.509 0.000 3.435 329 M HA 0.140 4.620 4.480 -0.000 0.000 0.205 329 M C -1.022 175.517 176.300 0.400 0.000 1.324 329 M CA 0.303 55.807 55.300 0.340 0.000 1.455 329 M CB -1.002 31.782 32.600 0.308 0.000 1.240 329 M HN 0.352 nan 8.290 nan 0.000 0.477 330 F N -3.864 116.230 119.950 0.241 0.000 2.685 330 F HA 0.436 4.963 4.527 -0.000 0.000 0.315 330 F C -0.474 175.415 175.800 0.147 0.000 1.126 330 F CA -1.353 56.778 58.000 0.219 0.000 0.950 330 F CB 0.793 40.010 39.000 0.362 0.000 1.360 330 F HN -0.103 nan 8.300 nan 0.000 0.469 331 H N 2.654 121.794 119.070 0.117 0.000 3.205 331 H HA 0.177 4.733 4.556 0.000 0.000 0.262 331 H C 0.564 175.830 175.328 -0.102 0.000 1.333 331 H CA 0.800 56.778 56.048 -0.117 0.000 1.499 331 H CB 0.972 30.636 29.762 -0.162 0.000 1.609 331 H HN 0.850 nan 8.280 nan 0.000 0.498 332 Q N 2.649 122.261 119.800 -0.314 0.000 2.050 332 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 332 Q C 2.197 178.243 176.000 0.075 0.000 0.980 332 Q CA 1.491 57.204 55.803 -0.150 0.000 0.840 332 Q CB 0.159 28.764 28.738 -0.222 0.000 0.898 332 Q HN 0.711 nan 8.270 nan 0.000 0.424 333 Q N 0.272 120.085 119.800 0.022 0.000 2.045 333 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 333 Q C 1.993 178.058 176.000 0.107 0.000 0.991 333 Q CA 1.754 57.594 55.803 0.062 0.000 0.851 333 Q CB -0.231 28.520 28.738 0.021 0.000 0.911 333 Q HN 0.402 nan 8.270 nan 0.000 0.418 334 A N 0.472 123.367 122.820 0.124 0.000 1.969 334 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 334 A C 1.960 179.622 177.584 0.129 0.000 1.169 334 A CA 1.238 53.246 52.037 -0.048 0.000 0.635 334 A CB -0.630 18.099 19.000 -0.452 0.000 0.810 334 A HN 0.504 nan 8.150 nan 0.000 0.445 335 L N -0.039 121.328 121.223 0.241 0.000 2.027 335 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 335 L C 2.478 179.524 176.870 0.292 0.000 1.074 335 L CA 2.299 57.339 54.840 0.332 0.000 0.745 335 L CB -0.793 41.574 42.059 0.514 0.000 0.898 335 L HN 0.499 nan 8.230 nan 0.000 0.433 336 Q N -0.466 119.469 119.800 0.225 0.000 2.112 336 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 336 Q C 2.084 178.161 176.000 0.127 0.000 0.987 336 Q CA 2.174 58.068 55.803 0.151 0.000 0.858 336 Q CB -0.296 28.499 28.738 0.096 0.000 0.905 336 Q HN 0.671 nan 8.270 nan 0.000 0.420 337 E N -0.097 120.177 120.200 0.123 0.000 2.077 337 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 337 E C 1.771 178.486 176.600 0.192 0.000 0.989 337 E CA 1.023 57.485 56.400 0.103 0.000 0.800 337 E CB -0.199 29.517 29.700 0.027 0.000 0.746 337 E HN 0.341 nan 8.360 nan 0.000 0.452 338 Y N 1.419 121.803 120.300 0.139 0.000 2.128 338 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 338 Y C 1.926 177.903 175.900 0.128 0.000 1.154 338 Y CA 1.504 59.704 58.100 0.168 0.000 1.149 338 Y CB -0.190 38.362 38.460 0.153 0.000 0.976 338 Y HN -0.052 nan 8.280 nan 0.000 0.505 339 I N -0.505 120.091 120.570 0.044 0.000 2.202 339 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 339 I C 2.290 178.364 176.117 -0.071 0.000 1.091 339 I CA 1.399 62.663 61.300 -0.058 0.000 1.368 339 I CB -0.444 37.600 38.000 0.073 0.000 1.058 339 I HN 0.217 nan 8.210 nan 0.000 0.410 340 L N -0.516 120.709 121.223 0.004 0.000 2.056 340 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 340 L C 2.548 179.430 176.870 0.020 0.000 1.078 340 L CA 1.424 56.276 54.840 0.021 0.000 0.749 340 L CB -0.359 41.723 42.059 0.038 0.000 0.901 340 L HN 0.254 nan 8.230 nan 0.000 0.433 341 M N -1.876 117.745 119.600 0.035 0.000 2.334 341 M HA -0.110 4.370 4.480 -0.000 0.000 0.266 341 M C 1.841 178.128 176.300 -0.022 0.000 1.082 341 M CA 1.073 56.420 55.300 0.079 0.000 1.141 341 M CB 0.052 32.782 32.600 0.216 0.000 1.380 341 M HN 0.361 nan 8.290 nan 0.000 0.440 342 C N -2.047 117.153 119.300 -0.168 0.000 3.188 342 C HA 0.163 4.623 4.460 -0.000 0.000 0.315 342 C C 1.893 176.698 174.990 -0.308 0.000 1.285 342 C CA -0.457 58.391 59.018 -0.284 0.000 1.729 342 C CB -0.308 27.144 27.740 -0.479 0.000 2.257 342 C HN 0.568 nan 8.230 nan 0.000 0.645 343 C N 0.694 119.817 119.300 -0.296 0.000 3.104 343 C HA 0.212 4.672 4.460 -0.000 0.000 0.284 343 C C 0.663 175.584 174.990 -0.115 0.000 1.326 343 C CA -0.094 58.791 59.018 -0.221 0.000 1.725 343 C CB -1.525 26.081 27.740 -0.224 0.000 2.156 343 C HN 0.601 nan 8.230 nan 0.000 0.638 344 Q N 0.261 120.019 119.800 -0.070 0.000 2.256 344 Q HA 0.351 4.691 4.340 -0.000 0.000 0.257 344 Q C -0.529 175.462 176.000 -0.016 0.000 0.936 344 Q CA -0.068 55.740 55.803 0.008 0.000 0.903 344 Q CB 1.804 30.589 28.738 0.078 0.000 1.263 344 Q HN 0.473 nan 8.270 nan 0.000 0.440 345 C N 4.620 123.916 119.300 -0.008 0.000 2.369 345 C HA 0.365 4.825 4.460 -0.000 0.000 0.358 345 C C -1.337 173.618 174.990 -0.058 0.000 1.274 345 C CA -1.933 57.047 59.018 -0.063 0.000 1.935 345 C CB 0.100 27.763 27.740 -0.128 0.000 2.431 345 C HN 0.744 nan 8.230 nan 0.000 0.545 346 P HA -0.078 nan 4.420 nan 0.000 0.216 346 P C 1.177 178.422 177.300 -0.093 0.000 1.150 346 P CA 2.015 65.071 63.100 -0.073 0.000 0.843 346 P CB 0.072 31.736 31.700 -0.061 0.000 0.787 347 A N -1.272 121.491 122.820 -0.096 0.000 2.238 347 A HA 0.459 4.779 4.320 -0.000 0.000 0.208 347 A C 1.026 178.546 177.584 -0.105 0.000 1.177 347 A CA 0.830 52.814 52.037 -0.089 0.000 0.804 347 A CB -0.914 18.041 19.000 -0.074 0.000 0.823 347 A HN 0.327 nan 8.150 nan 0.000 0.482 348 G N -2.738 105.973 108.800 -0.148 0.000 2.742 348 G HA2 0.548 4.508 3.960 -0.000 0.000 0.686 348 G HA3 0.548 4.508 3.960 -0.000 0.000 0.686 348 G C 0.314 175.056 174.900 -0.262 0.000 1.220 348 G CA -0.226 44.809 45.100 -0.108 0.000 0.783 348 G HN 2.402 nan 8.290 nan 0.000 0.646 349 G N -0.952 107.952 108.800 0.175 0.000 2.662 349 G HA2 0.402 4.362 3.960 -0.000 0.000 0.686 349 G HA3 0.402 4.362 3.960 -0.000 0.000 0.686 349 G C -0.714 174.111 174.900 -0.125 0.000 1.271 349 G CA 0.058 45.031 45.100 -0.212 0.000 0.816 349 G HN 1.663 nan 8.290 nan 0.000 0.608 350 L N -0.233 120.908 121.223 -0.137 0.000 2.256 350 L HA 0.992 5.332 4.340 -0.000 0.000 0.261 350 L C 0.294 177.121 176.870 -0.072 0.000 1.022 350 L CA -0.980 53.794 54.840 -0.110 0.000 0.828 350 L CB 1.865 43.843 42.059 -0.135 0.000 1.374 350 L HN 1.149 nan 8.230 nan 0.000 0.436 351 L N -3.357 117.809 121.223 -0.095 0.000 2.491 351 L HA 0.673 5.013 4.340 -0.000 0.000 0.254 351 L C 0.273 176.968 176.870 -0.293 0.000 1.048 351 L CA -0.677 54.032 54.840 -0.220 0.000 0.855 351 L CB 0.709 42.646 42.059 -0.203 0.000 1.466 351 L HN 0.455 nan 8.230 nan 0.000 0.409 352 D N 0.517 120.542 120.400 -0.626 0.000 2.088 352 D HA -0.111 4.529 4.640 -0.000 0.000 0.191 352 D C 0.048 176.325 176.300 -0.038 0.000 0.992 352 D CA 2.493 56.273 54.000 -0.365 0.000 0.831 352 D CB 0.325 40.883 40.800 -0.403 0.000 0.973 352 D HN 0.763 nan 8.370 nan 0.000 0.447 353 K N -2.052 118.313 120.400 -0.059 0.000 2.579 353 K HA 0.525 4.845 4.320 -0.000 0.000 0.284 353 K C -3.018 173.558 176.600 -0.040 0.000 0.990 353 K CA -1.684 54.617 56.287 0.024 0.000 0.880 353 K CB 1.403 33.973 32.500 0.117 0.000 1.488 353 K HN -0.285 nan 8.250 nan 0.000 0.425 354 P HA 0.009 nan 4.420 nan 0.000 0.264 354 P C 0.583 177.857 177.300 -0.043 0.000 1.183 354 P CA 1.745 64.810 63.100 -0.057 0.000 0.763 354 P CB 0.521 32.188 31.700 -0.056 0.000 0.807 355 G N 1.209 109.977 108.800 -0.053 0.000 2.241 355 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.244 355 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.244 355 G C 0.233 175.101 174.900 -0.053 0.000 0.998 355 G CA -0.159 44.915 45.100 -0.045 0.000 0.621 355 G HN 0.492 nan 8.290 nan 0.000 0.519 356 K N 1.262 121.621 120.400 -0.070 0.000 2.090 356 K HA 0.656 4.976 4.320 -0.000 0.000 0.249 356 K C 0.741 177.279 176.600 -0.103 0.000 0.995 356 K CA 0.277 56.510 56.287 -0.089 0.000 0.914 356 K CB 1.422 33.849 32.500 -0.122 0.000 1.057 356 K HN 0.594 nan 8.250 nan 0.000 0.462 357 S N 0.377 116.015 115.700 -0.103 0.000 2.654 357 S HA 0.468 4.938 4.470 -0.000 0.000 0.283 357 S C 0.149 174.680 174.600 -0.115 0.000 1.180 357 S CA -0.998 57.143 58.200 -0.098 0.000 1.021 357 S CB 1.407 64.563 63.200 -0.072 0.000 1.018 357 S HN 0.575 nan 8.310 nan 0.000 0.532 358 R N 0.262 120.689 120.500 -0.122 0.000 2.679 358 R HA 0.575 4.915 4.340 -0.000 0.000 0.269 358 R C -1.050 175.221 176.300 -0.048 0.000 1.076 358 R CA -0.346 55.672 56.100 -0.137 0.000 1.160 358 R CB -0.283 29.849 30.300 -0.281 0.000 1.054 358 R HN 0.879 nan 8.270 nan 0.000 0.507 359 D N -0.491 119.917 120.400 0.013 0.000 2.694 359 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 359 D C -0.466 175.882 176.300 0.080 0.000 1.250 359 D CA -0.796 53.261 54.000 0.095 0.000 0.763 359 D CB 0.025 40.920 40.800 0.157 0.000 1.311 359 D HN 0.377 nan 8.370 nan 0.000 0.420 360 F N -0.824 119.313 119.950 0.313 0.000 2.325 360 F HA 0.003 4.530 4.527 0.000 0.000 0.299 360 F C 1.934 177.664 175.800 -0.115 0.000 1.090 360 F CA 0.419 58.505 58.000 0.142 0.000 1.392 360 F CB -0.296 38.798 39.000 0.157 0.000 1.053 360 F HN 0.457 nan 8.300 nan 0.000 0.521 361 Y N 0.494 120.583 120.300 -0.351 0.000 2.145 361 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 361 Y C 2.427 178.061 175.900 -0.444 0.000 1.145 361 Y CA 2.064 59.625 58.100 -0.898 0.000 1.148 361 Y CB -0.708 37.199 38.460 -0.922 0.000 0.981 361 Y HN 0.043 nan 8.280 nan 0.000 0.507 362 H N -1.457 117.579 119.070 -0.056 0.000 2.462 362 H HA -0.058 4.498 4.556 0.000 0.000 0.292 362 H C 2.162 177.405 175.328 -0.141 0.000 1.049 362 H CA 1.674 57.676 56.048 -0.077 0.000 1.334 362 H CB -0.246 29.521 29.762 0.007 0.000 1.404 362 H HN 0.283 nan 8.280 nan 0.000 0.544 363 T N -0.465 114.080 114.554 -0.015 0.000 2.708 363 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 363 T C 2.362 176.959 174.700 -0.172 0.000 1.037 363 T CA 1.349 63.414 62.100 -0.058 0.000 1.146 363 T CB -0.718 68.205 68.868 0.092 0.000 0.865 363 T HN 0.567 nan 8.240 nan 0.000 0.435 364 C N 0.605 119.730 119.300 -0.292 0.000 2.442 364 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 364 C C 2.372 177.017 174.990 -0.574 0.000 1.237 364 C CA 0.602 59.330 59.018 -0.484 0.000 1.722 364 C CB -1.432 25.879 27.740 -0.715 0.000 2.056 364 C HN 0.661 nan 8.230 nan 0.000 0.469 365 Y N -0.135 119.906 120.300 -0.431 0.000 2.420 365 Y HA -0.010 4.540 4.550 0.000 0.000 0.292 365 Y C 2.845 178.598 175.900 -0.244 0.000 1.119 365 Y CA 1.175 58.995 58.100 -0.468 0.000 1.229 365 Y CB -0.549 37.463 38.460 -0.747 0.000 1.026 365 Y HN 0.396 nan 8.280 nan 0.000 0.554 366 C N 0.102 119.371 119.300 -0.053 0.000 2.429 366 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 366 C C 2.653 177.632 174.990 -0.018 0.000 1.262 366 C CA 0.932 59.952 59.018 0.002 0.000 1.733 366 C CB -1.234 26.505 27.740 -0.002 0.000 2.010 366 C HN 0.524 nan 8.230 nan 0.000 0.483 367 L N 0.433 121.605 121.223 -0.084 0.000 2.056 367 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 367 L C 2.678 179.524 176.870 -0.040 0.000 1.078 367 L CA 1.314 56.105 54.840 -0.081 0.000 0.749 367 L CB -0.721 41.252 42.059 -0.142 0.000 0.901 367 L HN 0.293 nan 8.230 nan 0.000 0.433 368 S N 0.193 115.857 115.700 -0.060 0.000 2.359 368 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 368 S C 2.028 176.727 174.600 0.165 0.000 1.035 368 S CA 1.414 59.638 58.200 0.041 0.000 1.018 368 S CB -0.657 62.491 63.200 -0.086 0.000 0.876 368 S HN 0.615 nan 8.310 nan 0.000 0.448 369 G N 1.291 110.178 108.800 0.145 0.000 2.432 369 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 369 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 369 G C 1.374 176.359 174.900 0.143 0.000 1.135 369 G CA 0.740 45.920 45.100 0.132 0.000 0.767 369 G HN 0.406 nan 8.290 nan 0.000 0.550 370 L N 0.946 122.237 121.223 0.112 0.000 2.046 370 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 370 L C 2.876 179.806 176.870 0.101 0.000 1.077 370 L CA 2.334 57.237 54.840 0.105 0.000 0.747 370 L CB -0.800 41.294 42.059 0.058 0.000 0.896 370 L HN 0.213 nan 8.230 nan 0.000 0.432 371 S N -0.669 115.097 115.700 0.109 0.000 2.356 371 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 371 S C 2.045 176.776 174.600 0.219 0.000 1.032 371 S CA 1.431 59.722 58.200 0.153 0.000 1.005 371 S CB -0.308 63.010 63.200 0.197 0.000 0.867 371 S HN 0.433 nan 8.310 nan 0.000 0.449 372 I N 1.894 122.602 120.570 0.230 0.000 2.194 372 I HA -0.180 3.990 4.170 -0.000 0.000 0.246 372 I C 2.699 179.064 176.117 0.413 0.000 1.093 372 I CA 1.627 63.079 61.300 0.253 0.000 1.355 372 I CB -1.720 36.339 38.000 0.099 0.000 1.046 372 I HN 0.375 nan 8.210 nan 0.000 0.413 373 A N -0.212 122.831 122.820 0.373 0.000 2.067 373 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 373 A C 2.208 179.904 177.584 0.186 0.000 1.156 373 A CA 0.801 53.081 52.037 0.405 0.000 0.683 373 A CB -0.343 18.896 19.000 0.398 0.000 0.808 373 A HN 0.506 nan 8.150 nan 0.000 0.455 374 Q N -0.904 118.921 119.800 0.042 0.000 2.250 374 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 374 Q C -0.251 175.597 176.000 -0.253 0.000 0.941 374 Q CA 0.567 56.242 55.803 -0.214 0.000 0.872 374 Q CB 0.196 28.653 28.738 -0.467 0.000 0.965 374 Q HN 0.679 nan 8.270 nan 0.000 0.480 375 H N -0.647 118.551 119.070 0.214 0.000 2.638 375 H HA 0.212 4.768 4.556 0.000 0.000 0.317 375 H C -1.509 174.013 175.328 0.324 0.000 1.006 375 H CA -0.622 55.542 56.048 0.194 0.000 1.222 375 H CB 0.340 30.204 29.762 0.170 0.000 1.419 375 H HN 0.050 nan 8.280 nan 0.000 0.489 376 F N 2.108 122.042 119.950 -0.026 0.000 2.450 376 F HA 0.638 5.165 4.527 -0.000 0.000 0.332 376 F C -0.139 175.478 175.800 -0.305 0.000 1.093 376 F CA -0.290 57.404 58.000 -0.509 0.000 1.003 376 F CB 1.764 40.182 39.000 -0.971 0.000 1.151 376 F HN 0.562 nan 8.300 nan 0.000 0.474 377 G N 2.274 110.217 108.800 -1.428 0.000 2.761 377 G HA2 0.426 4.386 3.960 -0.000 0.000 0.296 377 G HA3 0.426 4.386 3.960 -0.000 0.000 0.296 377 G C -1.921 172.441 174.900 -0.897 0.000 1.416 377 G CA -0.695 43.903 45.100 -0.836 0.000 1.105 377 G HN 0.707 nan 8.290 nan 0.000 0.565 378 S N 1.377 116.722 115.700 -0.592 0.000 2.279 378 S HA 0.565 5.035 4.470 -0.000 0.000 0.176 378 S C 1.190 175.691 174.600 -0.164 0.000 1.554 378 S CA 0.924 58.924 58.200 -0.333 0.000 1.242 378 S CB -0.333 62.749 63.200 -0.197 0.000 1.163 378 S HN 2.507 nan 8.310 nan 0.000 0.449 379 G N 3.659 112.390 108.800 -0.114 0.000 3.274 379 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.313 379 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.313 379 G C 1.226 176.113 174.900 -0.022 0.000 1.295 379 G CA 0.470 45.544 45.100 -0.042 0.000 1.004 379 G HN 1.474 nan 8.290 nan 0.000 0.614 380 A N 0.179 122.998 122.820 -0.001 0.000 1.943 380 A HA 0.533 4.853 4.320 -0.000 0.000 0.213 380 A C 1.592 179.183 177.584 0.012 0.000 1.181 380 A CA 1.741 53.785 52.037 0.012 0.000 0.653 380 A CB -0.227 18.789 19.000 0.027 0.000 0.833 380 A HN 0.645 nan 8.150 nan 0.000 0.451 381 M N 0.323 119.937 119.600 0.023 0.000 2.238 381 M HA 0.447 4.927 4.480 -0.000 0.000 0.347 381 M C -0.944 175.391 176.300 0.058 0.000 1.173 381 M CA 0.684 56.019 55.300 0.059 0.000 1.147 381 M CB -0.004 32.675 32.600 0.132 0.000 1.547 381 M HN 0.170 nan 8.290 nan 0.000 0.455 382 L N 2.702 123.981 121.223 0.093 0.000 2.562 382 L HA 0.400 4.740 4.340 -0.000 0.000 0.266 382 L C -1.188 175.787 176.870 0.176 0.000 0.949 382 L CA -0.473 54.429 54.840 0.104 0.000 0.879 382 L CB 2.070 44.157 42.059 0.046 0.000 1.278 382 L HN 0.746 nan 8.230 nan 0.000 0.404 383 H N 1.581 120.695 119.070 0.072 0.000 2.966 383 H HA 0.490 5.046 4.556 -0.000 0.000 0.347 383 H C -1.707 173.603 175.328 -0.030 0.000 1.048 383 H CA -0.517 55.499 56.048 -0.053 0.000 1.295 383 H CB 1.714 31.317 29.762 -0.265 0.000 1.744 383 H HN 0.427 nan 8.280 nan 0.000 0.513 384 D N 3.068 123.234 120.400 -0.391 0.000 2.217 384 D HA 0.472 5.112 4.640 -0.000 0.000 0.248 384 D C -0.531 175.450 176.300 -0.533 0.000 1.008 384 D CA -0.417 53.390 54.000 -0.322 0.000 0.914 384 D CB 2.342 43.099 40.800 -0.072 0.000 1.182 384 D HN 0.231 nan 8.370 nan 0.000 0.451 385 V N 1.716 121.438 119.914 -0.320 0.000 2.488 385 V HA 0.270 4.390 4.120 -0.000 0.000 0.293 385 V C -0.545 175.468 176.094 -0.135 0.000 1.027 385 V CA -0.744 61.427 62.300 -0.214 0.000 0.862 385 V CB 1.883 33.614 31.823 -0.153 0.000 1.008 385 V HN 0.276 nan 8.190 nan 0.000 0.428 386 V N 5.667 125.521 119.914 -0.101 0.000 2.326 386 V HA 0.464 4.584 4.120 -0.000 0.000 0.281 386 V C 0.164 176.228 176.094 -0.049 0.000 1.015 386 V CA -0.509 61.747 62.300 -0.074 0.000 0.823 386 V CB 1.551 33.336 31.823 -0.062 0.000 1.009 386 V HN 0.714 nan 8.190 nan 0.000 0.436 387 M N 3.088 122.667 119.600 -0.036 0.000 2.250 387 M HA 0.551 5.031 4.480 -0.000 0.000 0.344 387 M C 1.057 177.340 176.300 -0.028 0.000 1.150 387 M CA 0.905 56.187 55.300 -0.030 0.000 1.147 387 M CB 0.663 33.252 32.600 -0.018 0.000 1.498 387 M HN 0.950 nan 8.290 nan 0.000 0.461 388 G N 1.159 109.937 108.800 -0.037 0.000 2.593 388 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.237 388 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.237 388 G C -0.310 174.572 174.900 -0.029 0.000 1.312 388 G CA -0.305 44.773 45.100 -0.036 0.000 0.896 388 G HN 1.162 nan 8.290 nan 0.000 0.574 389 V N -1.002 118.900 119.914 -0.021 0.000 2.843 389 V HA 0.490 4.610 4.120 -0.000 0.000 0.305 389 V C -0.132 175.954 176.094 -0.013 0.000 1.065 389 V CA 0.062 62.352 62.300 -0.017 0.000 1.116 389 V CB 1.029 32.845 31.823 -0.011 0.000 0.968 389 V HN 0.748 nan 8.190 nan 0.000 0.487 390 P HA -0.108 nan 4.420 nan 0.000 0.221 390 P C 1.026 178.325 177.300 -0.002 0.000 1.145 390 P CA 1.271 64.366 63.100 -0.008 0.000 0.795 390 P CB 0.250 31.945 31.700 -0.007 0.000 0.775 391 E N -0.455 119.745 120.200 -0.001 0.000 2.478 391 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 391 E C 1.640 178.245 176.600 0.010 0.000 1.046 391 E CA 0.345 56.746 56.400 0.003 0.000 0.870 391 E CB -0.861 28.839 29.700 -0.001 0.000 0.818 391 E HN 0.228 nan 8.360 nan 0.000 0.527 392 N N 0.232 118.937 118.700 0.008 0.000 2.364 392 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 392 N C 0.383 175.901 175.510 0.013 0.000 1.022 392 N CA 0.263 53.320 53.050 0.013 0.000 0.883 392 N CB -0.161 38.330 38.487 0.006 0.000 0.965 392 N HN 0.094 nan 8.380 nan 0.000 0.438 393 V N 1.892 121.813 119.914 0.012 0.000 2.617 393 V HA -0.029 4.091 4.120 -0.000 0.000 0.304 393 V C 0.163 176.297 176.094 0.067 0.000 1.040 393 V CA 0.219 62.535 62.300 0.026 0.000 1.149 393 V CB -0.004 31.851 31.823 0.054 0.000 0.914 393 V HN 0.038 nan 8.190 nan 0.000 0.487 394 L N 5.571 126.860 121.223 0.111 0.000 2.304 394 L HA 0.550 4.890 4.340 -0.000 0.000 0.268 394 L C 0.000 176.998 176.870 0.213 0.000 1.010 394 L CA -1.036 53.878 54.840 0.123 0.000 0.813 394 L CB 1.417 43.525 42.059 0.081 0.000 1.315 394 L HN 0.475 nan 8.230 nan 0.000 0.445 395 Q N 1.743 121.605 119.800 0.104 0.000 2.373 395 Q HA 0.251 4.591 4.340 -0.000 0.000 0.255 395 Q C -2.256 173.804 176.000 0.101 0.000 0.980 395 Q CA -1.451 54.392 55.803 0.067 0.000 0.882 395 Q CB 0.592 29.342 28.738 0.020 0.000 1.249 395 Q HN 0.252 nan 8.270 nan 0.000 0.438 396 P HA 0.167 nan 4.420 nan 0.000 0.278 396 P C -0.569 176.820 177.300 0.149 0.000 1.258 396 P CA -0.300 62.847 63.100 0.078 0.000 0.811 396 P CB 1.011 32.640 31.700 -0.119 0.000 1.063 397 T N -0.422 114.260 114.554 0.213 0.000 2.893 397 T HA 0.208 4.558 4.350 -0.000 0.000 0.291 397 T C -0.824 174.047 174.700 0.285 0.000 1.028 397 T CA -0.471 61.798 62.100 0.282 0.000 0.995 397 T CB 0.370 69.442 68.868 0.341 0.000 1.051 397 T HN 0.356 nan 8.240 nan 0.000 0.470 398 H N 5.551 124.771 119.070 0.251 0.000 2.767 398 H HA 0.226 4.782 4.556 -0.000 0.000 0.316 398 H C -1.620 173.891 175.328 0.306 0.000 1.059 398 H CA -1.642 54.561 56.048 0.259 0.000 1.461 398 H CB 1.863 31.809 29.762 0.306 0.000 1.475 398 H HN 0.422 nan 8.280 nan 0.000 0.531 399 P HA -0.106 nan 4.420 nan 0.000 0.226 399 P C 1.275 178.824 177.300 0.416 0.000 1.153 399 P CA 0.464 63.695 63.100 0.218 0.000 0.777 399 P CB 0.652 32.322 31.700 -0.049 0.000 0.794 400 V N -1.763 118.437 119.914 0.478 0.000 2.500 400 V HA -0.086 4.034 4.120 -0.000 0.000 0.243 400 V C 2.062 178.353 176.094 0.328 0.000 1.039 400 V CA 1.487 63.942 62.300 0.258 0.000 1.053 400 V CB -1.063 30.715 31.823 -0.074 0.000 0.695 400 V HN -0.012 nan 8.190 nan 0.000 0.463 401 Y N -0.877 119.763 120.300 0.566 0.000 2.481 401 Y HA 0.286 4.836 4.550 0.000 0.000 0.258 401 Y C 1.391 177.515 175.900 0.375 0.000 1.103 401 Y CA 0.099 58.448 58.100 0.414 0.000 1.287 401 Y CB 0.068 38.597 38.460 0.114 0.000 1.108 401 Y HN 0.316 nan 8.280 nan 0.000 0.529 402 N N 1.339 120.344 118.700 0.510 0.000 2.727 402 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 402 N C -0.660 174.803 175.510 -0.078 0.000 1.048 402 N CA 0.996 54.157 53.050 0.184 0.000 0.714 402 N CB -1.372 37.025 38.487 -0.149 0.000 0.959 402 N HN 0.654 nan 8.380 nan 0.000 0.544 403 I N -4.501 116.159 120.570 0.151 0.000 3.206 403 I HA 0.766 4.936 4.170 -0.000 0.000 0.313 403 I C 1.064 177.345 176.117 0.274 0.000 1.103 403 I CA -0.987 60.401 61.300 0.148 0.000 0.985 403 I CB 1.302 39.362 38.000 0.099 0.000 1.240 403 I HN -0.008 nan 8.210 nan 0.000 0.464 404 G N 1.809 110.755 108.800 0.244 0.000 2.305 404 G HA2 0.278 4.238 3.960 -0.000 0.000 0.243 404 G HA3 0.278 4.238 3.960 -0.000 0.000 0.243 404 G C -1.930 173.084 174.900 0.190 0.000 1.288 404 G CA -0.731 44.489 45.100 0.200 0.000 0.901 404 G HN 0.588 nan 8.290 nan 0.000 0.516 405 P HA -0.174 nan 4.420 nan 0.000 0.216 405 P C 1.590 178.984 177.300 0.156 0.000 1.154 405 P CA 1.670 64.927 63.100 0.262 0.000 0.865 405 P CB 0.204 32.029 31.700 0.207 0.000 0.789 406 D N -0.475 119.989 120.400 0.107 0.000 2.117 406 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 406 D C 1.499 177.835 176.300 0.060 0.000 0.982 406 D CA 1.357 55.400 54.000 0.072 0.000 0.828 406 D CB -0.878 39.953 40.800 0.053 0.000 0.967 406 D HN 0.079 nan 8.370 nan 0.000 0.464 407 K N 0.602 121.040 120.400 0.063 0.000 2.148 407 K HA -0.001 4.319 4.320 -0.000 0.000 0.204 407 K C 2.404 179.013 176.600 0.015 0.000 1.050 407 K CA 0.287 56.605 56.287 0.051 0.000 0.942 407 K CB -0.481 32.051 32.500 0.053 0.000 0.724 407 K HN 0.189 nan 8.250 nan 0.000 0.446 408 V N 1.939 121.839 119.914 -0.023 0.000 2.237 408 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 408 V C 2.404 178.453 176.094 -0.074 0.000 1.046 408 V CA 1.535 63.751 62.300 -0.142 0.000 1.007 408 V CB -0.399 31.288 31.823 -0.227 0.000 0.638 408 V HN 0.169 nan 8.190 nan 0.000 0.445 409 I N -0.294 120.274 120.570 -0.003 0.000 2.151 409 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 409 I C 2.697 178.821 176.117 0.012 0.000 1.080 409 I CA 2.136 63.447 61.300 0.019 0.000 1.339 409 I CB -0.441 37.588 38.000 0.047 0.000 1.039 409 I HN 0.419 nan 8.210 nan 0.000 0.409 410 Q N 0.777 120.594 119.800 0.029 0.000 2.061 410 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 410 Q C 2.321 178.321 176.000 -0.001 0.000 0.984 410 Q CA 2.153 57.981 55.803 0.043 0.000 0.846 410 Q CB -0.113 28.680 28.738 0.090 0.000 0.902 410 Q HN 0.569 nan 8.270 nan 0.000 0.421 411 A N 0.301 123.126 122.820 0.008 0.000 1.877 411 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 411 A C 2.301 179.867 177.584 -0.030 0.000 1.186 411 A CA 2.234 54.221 52.037 -0.083 0.000 0.620 411 A CB -1.363 17.689 19.000 0.087 0.000 0.822 411 A HN 0.691 nan 8.150 nan 0.000 0.443 412 T N -2.821 111.729 114.554 -0.007 0.000 2.684 412 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 412 T C 1.839 176.543 174.700 0.007 0.000 1.036 412 T CA 2.303 64.416 62.100 0.022 0.000 1.148 412 T CB -1.300 67.563 68.868 -0.009 0.000 0.863 412 T HN 0.321 nan 8.240 nan 0.000 0.436 413 T N 0.944 115.483 114.554 -0.024 0.000 2.665 413 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 413 T C 1.709 176.347 174.700 -0.103 0.000 1.035 413 T CA 2.021 64.095 62.100 -0.043 0.000 1.151 413 T CB -0.733 68.119 68.868 -0.027 0.000 0.862 413 T HN 0.824 nan 8.240 nan 0.000 0.438 414 H N 0.059 118.951 119.070 -0.297 0.000 2.352 414 H HA -0.034 4.522 4.556 -0.000 0.000 0.299 414 H C 1.711 176.750 175.328 -0.482 0.000 1.097 414 H CA 1.653 57.410 56.048 -0.486 0.000 1.311 414 H CB -0.459 28.751 29.762 -0.920 0.000 1.377 414 H HN 0.444 nan 8.280 nan 0.000 0.504 415 F N -0.389 119.412 119.950 -0.249 0.000 2.615 415 F HA 0.063 4.590 4.527 0.000 0.000 0.297 415 F C 1.949 177.636 175.800 -0.187 0.000 1.124 415 F CA 0.100 57.966 58.000 -0.224 0.000 1.451 415 F CB 0.129 39.062 39.000 -0.113 0.000 1.103 415 F HN 0.128 nan 8.300 nan 0.000 0.569 416 L N -0.218 120.996 121.223 -0.015 0.000 2.456 416 L HA -0.179 4.161 4.340 -0.000 0.000 0.224 416 L C 2.056 178.871 176.870 -0.091 0.000 1.148 416 L CA 0.909 55.728 54.840 -0.036 0.000 0.825 416 L CB -0.468 41.575 42.059 -0.028 0.000 0.937 416 L HN 0.230 nan 8.230 nan 0.000 0.450 417 Q N -0.201 119.495 119.800 -0.173 0.000 2.297 417 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 417 Q C 0.197 176.099 176.000 -0.163 0.000 0.962 417 Q CA 0.760 56.448 55.803 -0.192 0.000 0.879 417 Q CB 0.226 28.786 28.738 -0.297 0.000 0.947 417 Q HN 0.352 nan 8.270 nan 0.000 0.462 418 K N 1.521 121.839 120.400 -0.137 0.000 2.098 418 K HA 0.379 4.699 4.320 -0.000 0.000 0.258 418 K C -2.452 174.094 176.600 -0.091 0.000 0.973 418 K CA -1.965 54.266 56.287 -0.094 0.000 0.898 418 K CB 0.739 33.228 32.500 -0.020 0.000 1.057 418 K HN -0.111 nan 8.250 nan 0.000 0.447 419 P HA 0.137 nan 4.420 nan 0.000 0.282 419 P C -0.185 177.070 177.300 -0.075 0.000 1.249 419 P CA -0.604 62.394 63.100 -0.171 0.000 0.806 419 P CB 0.675 32.127 31.700 -0.413 0.000 0.984 420 V N 4.747 124.642 119.914 -0.032 0.000 2.539 420 V HA -0.038 4.082 4.120 -0.000 0.000 0.300 420 V C -1.771 174.367 176.094 0.074 0.000 1.019 420 V CA -0.507 61.808 62.300 0.025 0.000 1.160 420 V CB -1.030 30.817 31.823 0.040 0.000 0.901 420 V HN 0.590 nan 8.190 nan 0.000 0.481 421 P HA 0.081 nan 4.420 nan 0.000 0.261 421 P C 0.993 178.400 177.300 0.178 0.000 1.165 421 P CA 1.718 64.902 63.100 0.140 0.000 0.759 421 P CB 0.281 32.042 31.700 0.101 0.000 0.772 422 G N 1.909 110.857 108.800 0.247 0.000 2.176 422 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 422 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 422 G C 0.362 175.462 174.900 0.334 0.000 0.979 422 G CA -0.192 45.017 45.100 0.183 0.000 0.641 422 G HN 0.566 nan 8.290 nan 0.000 0.530 423 F N 0.000 119.959 119.950 0.014 0.000 2.286 423 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 423 F CA 0.000 58.008 58.000 0.013 0.000 1.383 423 F CB 0.000 39.004 39.000 0.007 0.000 1.145 423 F HN 0.000 nan 8.300 nan 0.000 0.574