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 1wip_1_A DATA FIRST_RESID 1 DATA SEQUENCE KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL DATA SEQUENCE AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG DATA SEQUENCE KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN DATA SEQUENCE LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS DATA SEQUENCE GQVLLESNIK VLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.639 176.600 0.065 0.000 0.988 1 K CA 0.000 56.322 56.287 0.059 0.000 0.838 1 K CB 0.000 32.541 32.500 0.069 0.000 1.064 2 K N 2.715 123.162 120.400 0.080 0.000 2.351 2 K HA 0.197 4.517 4.320 0.000 0.000 0.287 2 K C -0.175 176.476 176.600 0.084 0.000 1.068 2 K CA -0.045 56.291 56.287 0.082 0.000 0.998 2 K CB -0.064 32.498 32.500 0.103 0.000 0.968 2 K HN 0.192 nan 8.250 nan 0.000 0.464 3 V N 2.601 122.557 119.914 0.070 0.000 2.284 3 V HA 0.220 4.340 4.120 0.000 0.000 0.274 3 V C -0.074 176.058 176.094 0.064 0.000 1.023 3 V CA -1.087 61.256 62.300 0.072 0.000 0.808 3 V CB 0.757 32.624 31.823 0.073 0.000 1.035 3 V HN 0.387 nan 8.190 nan 0.000 0.445 4 V N 5.639 125.586 119.914 0.055 0.000 2.547 4 V HA 0.569 4.689 4.120 0.000 0.000 0.299 4 V C 0.104 176.229 176.094 0.052 0.000 1.040 4 V CA -0.614 61.709 62.300 0.039 0.000 0.913 4 V CB 1.873 33.702 31.823 0.009 0.000 0.992 4 V HN 0.682 nan 8.190 nan 0.000 0.449 5 L N 2.709 123.973 121.223 0.068 0.000 2.358 5 L HA 0.997 5.337 4.340 0.000 0.000 0.268 5 L C 0.611 177.519 176.870 0.064 0.000 1.032 5 L CA -0.355 54.558 54.840 0.121 0.000 0.805 5 L CB 1.609 43.789 42.059 0.202 0.000 1.253 5 L HN 0.817 nan 8.230 nan 0.000 0.452 6 G N 0.102 108.955 108.800 0.088 0.000 2.682 6 G HA2 0.577 4.537 3.960 0.000 0.000 0.290 6 G HA3 0.577 4.537 3.960 0.000 0.000 0.290 6 G C -1.787 173.171 174.900 0.096 0.000 1.425 6 G CA -0.686 44.439 45.100 0.041 0.000 0.807 6 G HN 0.452 nan 8.290 nan 0.000 0.482 7 K N 0.366 120.813 120.400 0.077 0.000 2.203 7 K HA 0.404 4.724 4.320 0.000 0.000 0.251 7 K C -0.225 176.459 176.600 0.140 0.000 0.944 7 K CA -0.901 55.493 56.287 0.178 0.000 0.829 7 K CB 2.750 35.335 32.500 0.142 0.000 1.125 7 K HN 0.485 nan 8.250 nan 0.000 0.430 8 K N 0.794 121.295 120.400 0.168 0.000 2.484 8 K HA -0.047 4.273 4.320 0.000 0.000 0.280 8 K C 0.753 177.394 176.600 0.067 0.000 1.013 8 K CA 1.302 57.641 56.287 0.087 0.000 1.029 8 K CB 0.034 32.574 32.500 0.067 0.000 0.902 8 K HN 0.798 nan 8.250 nan 0.000 0.481 9 G N 3.042 111.865 108.800 0.037 0.000 2.257 9 G HA2 -0.327 3.633 3.960 0.000 0.000 0.267 9 G HA3 -0.327 3.633 3.960 0.000 0.000 0.267 9 G C 0.433 175.348 174.900 0.025 0.000 0.984 9 G CA 0.670 45.786 45.100 0.026 0.000 0.626 9 G HN 0.806 nan 8.290 nan 0.000 0.540 10 D N 0.394 120.815 120.400 0.035 0.000 2.158 10 D HA 0.565 5.205 4.640 0.000 0.000 0.275 10 D C 1.325 177.626 176.300 0.001 0.000 1.170 10 D CA 1.408 55.421 54.000 0.022 0.000 1.007 10 D CB 0.430 41.248 40.800 0.030 0.000 1.144 10 D HN 0.795 nan 8.370 nan 0.000 0.509 11 T N -2.934 111.612 114.554 -0.013 0.000 2.762 11 T HA 0.615 4.965 4.350 0.000 0.000 0.301 11 T C -0.969 173.704 174.700 -0.044 0.000 1.299 11 T CA -0.430 61.651 62.100 -0.031 0.000 1.005 11 T CB 0.784 69.633 68.868 -0.031 0.000 1.377 11 T HN 0.478 nan 8.240 nan 0.000 0.504 12 V N -1.773 118.101 119.914 -0.067 0.000 3.204 12 V HA 0.810 4.930 4.120 0.000 0.000 0.298 12 V C -1.318 174.717 176.094 -0.098 0.000 1.328 12 V CA -1.031 61.223 62.300 -0.077 0.000 1.035 12 V CB 1.671 33.438 31.823 -0.093 0.000 1.095 12 V HN 1.275 nan 8.190 nan 0.000 0.442 13 E N 1.709 121.861 120.200 -0.080 0.000 2.185 13 E HA 0.596 4.946 4.350 0.000 0.000 0.261 13 E C -1.888 174.674 176.600 -0.063 0.000 0.879 13 E CA -0.875 55.481 56.400 -0.073 0.000 0.756 13 E CB 1.837 31.517 29.700 -0.033 0.000 1.152 13 E HN 0.679 nan 8.360 nan 0.000 0.416 14 L N 4.349 125.510 121.223 -0.104 0.000 2.265 14 L HA 0.252 4.592 4.340 0.000 0.000 0.288 14 L C 0.281 177.267 176.870 0.194 0.000 1.058 14 L CA -0.010 54.808 54.840 -0.037 0.000 0.809 14 L CB 1.205 43.054 42.059 -0.350 0.000 1.179 14 L HN 0.579 nan 8.230 nan 0.000 0.429 15 T N -0.343 114.329 114.554 0.197 0.000 2.828 15 T HA 0.498 4.848 4.350 0.000 0.000 0.290 15 T C -0.056 174.804 174.700 0.267 0.000 1.019 15 T CA -0.711 61.506 62.100 0.194 0.000 1.031 15 T CB 1.292 70.219 68.868 0.099 0.000 1.001 15 T HN 0.794 nan 8.240 nan 0.000 0.531 16 C N 2.060 121.444 119.300 0.140 0.000 3.224 16 C HA 0.556 5.016 4.460 0.000 0.000 0.433 16 C C -0.380 174.606 174.990 -0.008 0.000 0.960 16 C CA -0.188 58.857 59.018 0.044 0.000 1.253 16 C CB -0.238 27.469 27.740 -0.055 0.000 1.640 16 C HN 1.227 nan 8.230 nan 0.000 0.591 17 T N 2.850 117.398 114.554 -0.011 0.000 2.587 17 T HA 1.052 5.402 4.350 0.000 0.000 0.282 17 T C -0.171 174.544 174.700 0.025 0.000 1.018 17 T CA 0.054 62.124 62.100 -0.050 0.000 1.120 17 T CB 1.283 70.100 68.868 -0.086 0.000 1.538 17 T HN 2.341 nan 8.240 nan 0.000 0.480 18 A N -0.128 122.700 122.820 0.013 0.000 2.402 18 A HA 0.699 5.019 4.320 0.000 0.000 0.295 18 A C -0.065 177.526 177.584 0.013 0.000 1.001 18 A CA -0.483 51.568 52.037 0.024 0.000 0.592 18 A CB 0.058 19.091 19.000 0.055 0.000 1.404 18 A HN 0.594 nan 8.150 nan 0.000 0.493 19 S N -0.473 115.233 115.700 0.010 0.000 2.423 19 S HA 0.334 4.804 4.470 0.000 0.000 0.244 19 S C 1.411 176.020 174.600 0.015 0.000 1.267 19 S CA 1.042 59.245 58.200 0.004 0.000 0.988 19 S CB -0.090 63.111 63.200 0.001 0.000 0.978 19 S HN 1.879 nan 8.310 nan 0.000 0.506 20 Q N 0.565 120.372 119.800 0.011 0.000 2.097 20 Q HA -0.430 3.910 4.340 0.000 0.000 0.148 20 Q C 0.651 176.666 176.000 0.025 0.000 1.026 20 Q CA 2.504 58.318 55.803 0.019 0.000 1.406 20 Q CB -2.053 26.699 28.738 0.023 0.000 1.450 20 Q HN 0.844 nan 8.270 nan 0.000 0.882 21 K N 1.700 122.112 120.400 0.020 0.000 3.186 21 K HA -0.264 4.056 4.320 0.000 0.000 0.302 21 K C 0.295 176.902 176.600 0.012 0.000 1.160 21 K CA 2.279 58.561 56.287 -0.008 0.000 0.911 21 K CB -0.580 31.906 32.500 -0.024 0.000 1.228 21 K HN 0.797 nan 8.250 nan 0.000 0.430 22 K N 0.141 120.577 120.400 0.060 0.000 2.098 22 K HA 0.187 4.507 4.320 0.000 0.000 0.257 22 K C -0.283 176.412 176.600 0.158 0.000 0.999 22 K CA -0.354 55.979 56.287 0.077 0.000 0.924 22 K CB 1.328 33.860 32.500 0.054 0.000 1.028 22 K HN -0.064 nan 8.250 nan 0.000 0.466 23 S N 1.893 117.684 115.700 0.152 0.000 2.611 23 S HA 0.105 4.575 4.470 0.000 0.000 0.317 23 S C 0.302 174.978 174.600 0.126 0.000 1.208 23 S CA -0.462 57.866 58.200 0.213 0.000 1.217 23 S CB -1.283 62.025 63.200 0.179 0.000 1.085 23 S HN 0.511 nan 8.310 nan 0.000 0.529 24 I N 1.092 121.735 120.570 0.121 0.000 3.206 24 I HA 0.560 4.730 4.170 0.000 0.000 0.313 24 I C 0.069 175.975 176.117 -0.352 0.000 1.103 24 I CA -1.387 59.845 61.300 -0.113 0.000 0.985 24 I CB 1.025 38.967 38.000 -0.097 0.000 1.240 24 I HN 0.191 nan 8.210 nan 0.000 0.464 25 Q N 1.491 121.078 119.800 -0.354 0.000 2.421 25 Q HA 0.347 4.687 4.340 0.000 0.000 0.255 25 Q C -1.336 174.304 176.000 -0.600 0.000 1.013 25 Q CA 0.482 56.008 55.803 -0.461 0.000 0.895 25 Q CB 1.198 29.719 28.738 -0.361 0.000 1.271 25 Q HN 0.590 nan 8.270 nan 0.000 0.460 26 F N -1.052 118.438 119.950 -0.766 0.000 2.744 26 F HA 0.511 5.038 4.527 0.000 0.000 0.311 26 F C -1.507 173.981 175.800 -0.520 0.000 1.144 26 F CA -1.039 56.463 58.000 -0.831 0.000 0.938 26 F CB 1.183 39.540 39.000 -1.072 0.000 1.292 26 F HN 0.619 nan 8.300 nan 0.000 0.444 27 H N -1.144 117.773 119.070 -0.254 0.000 3.137 27 H HA 0.246 4.802 4.556 0.000 0.000 0.336 27 H C -2.533 172.797 175.328 0.003 0.000 1.055 27 H CA -1.202 54.741 56.048 -0.174 0.000 1.349 27 H CB 0.679 30.330 29.762 -0.185 0.000 1.939 27 H HN 0.867 nan 8.280 nan 0.000 0.487 28 W N 4.400 125.877 121.300 0.296 0.000 2.335 28 W HA 0.323 4.983 4.660 0.000 0.000 0.306 28 W C -0.196 176.438 176.519 0.191 0.000 1.216 28 W CA -0.408 57.098 57.345 0.270 0.000 1.237 28 W CB 1.378 31.014 29.460 0.292 0.000 1.243 28 W HN 0.548 nan 8.180 nan 0.000 0.493 29 K N 2.654 123.321 120.400 0.444 0.000 2.422 29 K HA 0.474 4.794 4.320 0.000 0.000 0.251 29 K C -0.368 176.343 176.600 0.186 0.000 0.933 29 K CA -1.170 55.255 56.287 0.231 0.000 0.798 29 K CB 1.353 33.907 32.500 0.090 0.000 1.238 29 K HN 0.374 nan 8.250 nan 0.000 0.428 30 N N 0.259 118.970 118.700 0.018 0.000 2.379 30 N HA -0.046 4.694 4.740 0.000 0.000 0.260 30 N C 0.708 176.164 175.510 -0.090 0.000 1.254 30 N CA -0.163 52.776 53.050 -0.185 0.000 0.958 30 N CB 0.570 38.809 38.487 -0.413 0.000 1.208 30 N HN 0.736 nan 8.380 nan 0.000 0.532 31 S N -0.914 114.716 115.700 -0.116 0.000 2.488 31 S HA -0.201 4.269 4.470 0.000 0.000 0.246 31 S C 0.497 175.069 174.600 -0.047 0.000 0.992 31 S CA 1.060 59.229 58.200 -0.052 0.000 0.963 31 S CB -1.051 62.119 63.200 -0.049 0.000 0.754 31 S HN 0.704 nan 8.310 nan 0.000 0.519 32 N N 1.350 120.010 118.700 -0.066 0.000 2.314 32 N HA 0.126 4.866 4.740 0.000 0.000 0.200 32 N C -0.386 175.102 175.510 -0.037 0.000 1.135 32 N CA 0.069 53.089 53.050 -0.049 0.000 0.835 32 N CB 0.057 38.510 38.487 -0.056 0.000 0.989 32 N HN 0.107 nan 8.380 nan 0.000 0.478 33 Q N -0.514 119.268 119.800 -0.030 0.000 2.461 33 Q HA -0.207 4.133 4.340 0.000 0.000 0.264 33 Q C -0.514 175.466 176.000 -0.033 0.000 1.085 33 Q CA 0.977 56.764 55.803 -0.027 0.000 1.006 33 Q CB -2.160 26.560 28.738 -0.029 0.000 1.437 33 Q HN 0.582 nan 8.270 nan 0.000 0.514 34 I N 0.877 121.432 120.570 -0.025 0.000 2.385 34 I HA 0.166 4.336 4.170 0.000 0.000 0.294 34 I C 0.719 176.845 176.117 0.014 0.000 0.988 34 I CA -0.542 60.748 61.300 -0.016 0.000 1.265 34 I CB 1.092 39.082 38.000 -0.016 0.000 1.388 34 I HN -0.192 nan 8.210 nan 0.000 0.480 35 K N 6.512 126.918 120.400 0.011 0.000 2.292 35 K HA 0.271 4.591 4.320 0.000 0.000 0.290 35 K C 0.754 177.417 176.600 0.104 0.000 1.083 35 K CA -0.310 56.006 56.287 0.049 0.000 0.918 35 K CB 1.033 33.523 32.500 -0.017 0.000 1.089 35 K HN 0.528 nan 8.250 nan 0.000 0.473 36 I N 2.543 123.224 120.570 0.185 0.000 2.090 36 I HA -0.211 3.959 4.170 0.000 0.000 0.236 36 I C 0.945 177.174 176.117 0.187 0.000 1.064 36 I CA 1.547 62.963 61.300 0.193 0.000 1.324 36 I CB -0.712 37.444 38.000 0.261 0.000 1.044 36 I HN 0.511 nan 8.210 nan 0.000 0.399 37 L N -2.258 119.122 121.223 0.263 0.000 2.518 37 L HA 0.898 5.238 4.340 0.000 0.000 0.257 37 L C -0.729 176.272 176.870 0.219 0.000 0.980 37 L CA -0.380 54.605 54.840 0.243 0.000 0.837 37 L CB 1.546 43.783 42.059 0.297 0.000 1.410 37 L HN 0.062 nan 8.230 nan 0.000 0.410 38 G N 0.402 109.247 108.800 0.075 0.000 2.827 38 G HA2 0.697 4.657 3.960 0.000 0.000 0.296 38 G HA3 0.697 4.657 3.960 0.000 0.000 0.296 38 G C -1.738 172.987 174.900 -0.292 0.000 1.362 38 G CA -0.332 44.631 45.100 -0.228 0.000 0.809 38 G HN 1.082 nan 8.290 nan 0.000 0.522 39 N N -3.028 115.338 118.700 -0.557 0.000 2.629 39 N HA 0.707 5.447 4.740 0.000 0.000 0.279 39 N C -0.748 174.621 175.510 -0.234 0.000 1.344 39 N CA -0.199 52.631 53.050 -0.366 0.000 0.789 39 N CB 1.494 39.526 38.487 -0.758 0.000 1.508 39 N HN 1.244 nan 8.380 nan 0.000 0.516 40 Q N -0.744 118.980 119.800 -0.126 0.000 4.170 40 Q HA 0.570 4.910 4.340 0.000 0.000 0.163 40 Q C 0.518 176.387 176.000 -0.219 0.000 0.857 40 Q CA 0.049 55.761 55.803 -0.151 0.000 0.779 40 Q CB -0.739 27.945 28.738 -0.089 0.000 1.531 40 Q HN 1.843 nan 8.270 nan 0.000 0.448 41 G N 0.452 109.152 108.800 -0.167 0.000 2.525 41 G HA2 -0.116 3.844 3.960 0.000 0.000 0.248 41 G HA3 -0.116 3.844 3.960 0.000 0.000 0.248 41 G C 1.532 176.529 174.900 0.162 0.000 1.238 41 G CA 1.015 46.038 45.100 -0.127 0.000 0.926 41 G HN 2.018 nan 8.290 nan 0.000 0.574 42 S N -0.368 115.483 115.700 0.252 0.000 2.447 42 S HA 0.149 4.619 4.470 0.000 0.000 0.233 42 S C 1.088 176.110 174.600 0.705 0.000 1.006 42 S CA 1.462 59.986 58.200 0.540 0.000 0.957 42 S CB -0.141 63.332 63.200 0.455 0.000 0.773 42 S HN 0.893 nan 8.310 nan 0.000 0.507 43 F N 3.107 123.212 119.950 0.258 0.000 2.502 43 F HA 0.452 4.979 4.527 0.000 0.000 0.361 43 F C 0.263 176.243 175.800 0.300 0.000 1.157 43 F CA -2.380 55.743 58.000 0.205 0.000 1.096 43 F CB -0.988 38.085 39.000 0.123 0.000 1.141 43 F HN 0.126 nan 8.300 nan 0.000 0.579 44 L N 4.900 126.426 121.223 0.504 0.000 2.331 44 L HA 0.528 4.868 4.340 0.000 0.000 0.278 44 L C 0.317 177.375 176.870 0.313 0.000 1.106 44 L CA 0.173 55.333 54.840 0.533 0.000 0.824 44 L CB 0.855 43.139 42.059 0.375 0.000 1.142 44 L HN 0.703 nan 8.230 nan 0.000 0.443 45 T N 1.740 116.454 114.554 0.266 0.000 2.907 45 T HA 0.745 5.095 4.350 0.000 0.000 0.290 45 T C -0.413 174.381 174.700 0.157 0.000 1.066 45 T CA -0.869 61.331 62.100 0.168 0.000 1.012 45 T CB 2.020 70.957 68.868 0.114 0.000 1.184 45 T HN 0.704 nan 8.240 nan 0.000 0.522 46 K N -1.172 119.298 120.400 0.116 0.000 2.263 46 K HA 0.791 5.111 4.320 0.000 0.000 0.249 46 K C -0.147 176.500 176.600 0.079 0.000 1.076 46 K CA -0.584 55.770 56.287 0.111 0.000 0.884 46 K CB 1.844 34.402 32.500 0.098 0.000 1.394 46 K HN 1.006 nan 8.250 nan 0.000 0.476 47 G N -0.348 108.496 108.800 0.073 0.000 3.013 47 G HA2 0.374 4.334 3.960 0.000 0.000 0.278 47 G HA3 0.374 4.334 3.960 0.000 0.000 0.278 47 G C -2.159 172.764 174.900 0.038 0.000 1.353 47 G CA -1.176 43.953 45.100 0.049 0.000 1.043 47 G HN 0.472 nan 8.290 nan 0.000 0.523 48 P HA 0.004 nan 4.420 nan 0.000 0.229 48 P C 1.108 178.418 177.300 0.017 0.000 1.160 48 P CA 0.506 63.616 63.100 0.017 0.000 0.777 48 P CB -0.016 31.689 31.700 0.008 0.000 0.814 49 S N 0.512 116.224 115.700 0.021 0.000 2.553 49 S HA -0.044 4.426 4.470 0.000 0.000 0.293 49 S C 1.288 175.900 174.600 0.021 0.000 1.296 49 S CA -0.093 58.118 58.200 0.018 0.000 1.046 49 S CB 0.438 63.655 63.200 0.029 0.000 0.810 49 S HN 0.057 nan 8.310 nan 0.000 0.505 50 K N 0.498 120.906 120.400 0.014 0.000 2.218 50 K HA -0.123 4.197 4.320 0.000 0.000 0.205 50 K C 1.707 178.322 176.600 0.025 0.000 1.046 50 K CA 1.115 57.411 56.287 0.015 0.000 0.933 50 K CB -0.417 32.088 32.500 0.008 0.000 0.728 50 K HN 0.481 nan 8.250 nan 0.000 0.454 51 L N 1.838 123.084 121.223 0.039 0.000 2.201 51 L HA -0.161 4.179 4.340 0.000 0.000 0.212 51 L C 1.505 178.402 176.870 0.044 0.000 1.105 51 L CA 1.162 56.033 54.840 0.052 0.000 0.775 51 L CB -0.918 41.196 42.059 0.091 0.000 0.913 51 L HN 0.301 nan 8.230 nan 0.000 0.440 52 N N 1.018 119.745 118.700 0.045 0.000 0.937 52 N HA -0.341 4.399 4.740 0.000 0.000 0.158 52 N C 0.425 175.960 175.510 0.041 0.000 0.279 52 N CA 2.547 55.624 53.050 0.044 0.000 0.922 52 N CB -0.640 37.868 38.487 0.034 0.000 1.720 52 N HN 0.487 nan 8.380 nan 0.000 0.551 53 D N 0.283 120.701 120.400 0.031 0.000 2.489 53 D HA -0.023 4.617 4.640 0.000 0.000 0.264 53 D C 1.182 177.494 176.300 0.019 0.000 1.294 53 D CA 0.630 54.645 54.000 0.026 0.000 0.938 53 D CB -0.467 40.345 40.800 0.019 0.000 0.985 53 D HN 0.361 nan 8.370 nan 0.000 0.492 54 R N -0.911 119.601 120.500 0.019 0.000 2.541 54 R HA 0.406 4.746 4.340 0.000 0.000 0.332 54 R C -0.322 175.977 176.300 -0.000 0.000 0.951 54 R CA -0.133 55.971 56.100 0.007 0.000 1.136 54 R CB 0.938 31.241 30.300 0.005 0.000 1.449 54 R HN 0.205 nan 8.270 nan 0.000 0.531 55 A N 0.302 123.131 122.820 0.014 0.000 2.294 55 A HA 0.567 4.887 4.320 0.000 0.000 0.330 55 A C -0.994 176.612 177.584 0.036 0.000 1.133 55 A CA -0.358 51.683 52.037 0.007 0.000 0.836 55 A CB 1.212 20.229 19.000 0.029 0.000 1.190 55 A HN 0.190 nan 8.150 nan 0.000 0.492 56 D N -0.685 119.740 120.400 0.042 0.000 2.685 56 D HA 0.446 5.086 4.640 0.000 0.000 0.236 56 D C -1.590 174.781 176.300 0.118 0.000 1.233 56 D CA -0.060 53.985 54.000 0.075 0.000 0.760 56 D CB 2.106 42.920 40.800 0.023 0.000 1.410 56 D HN 0.506 nan 8.370 nan 0.000 0.439 57 S N 0.841 116.643 115.700 0.170 0.000 2.548 57 S HA 0.562 5.032 4.470 0.000 0.000 0.286 57 S C -0.904 173.662 174.600 -0.056 0.000 1.098 57 S CA -0.696 57.649 58.200 0.241 0.000 0.930 57 S CB 1.201 64.828 63.200 0.712 0.000 1.070 57 S HN 0.331 nan 8.310 nan 0.000 0.480 58 R N 3.214 123.648 120.500 -0.112 0.000 2.308 58 R HA 0.268 4.608 4.340 0.000 0.000 0.325 58 R C 1.144 177.039 176.300 -0.674 0.000 1.161 58 R CA -0.294 55.634 56.100 -0.286 0.000 1.022 58 R CB 0.367 30.589 30.300 -0.129 0.000 1.091 58 R HN 0.618 nan 8.270 nan 0.000 0.497 59 R N 0.705 120.611 120.500 -0.990 0.000 2.105 59 R HA -0.193 4.147 4.340 0.000 0.000 0.239 59 R C 2.171 178.279 176.300 -0.320 0.000 1.135 59 R CA 2.173 57.554 56.100 -1.198 0.000 0.967 59 R CB -0.125 29.662 30.300 -0.855 0.000 0.861 59 R HN 0.603 nan 8.270 nan 0.000 0.442 60 S N 1.307 116.882 115.700 -0.207 0.000 2.343 60 S HA -0.143 4.327 4.470 0.000 0.000 0.219 60 S C 1.984 176.575 174.600 -0.013 0.000 1.033 60 S CA 0.999 59.162 58.200 -0.063 0.000 1.014 60 S CB -0.652 62.510 63.200 -0.063 0.000 0.915 60 S HN 0.236 nan 8.310 nan 0.000 0.435 61 L N -0.534 120.660 121.223 -0.047 0.000 2.447 61 L HA -0.077 4.263 4.340 0.000 0.000 0.225 61 L C 2.452 179.341 176.870 0.031 0.000 1.148 61 L CA 0.677 55.502 54.840 -0.024 0.000 0.808 61 L CB -0.516 41.517 42.059 -0.042 0.000 0.928 61 L HN 0.404 nan 8.230 nan 0.000 0.448 62 W N 0.372 121.603 121.300 -0.115 0.000 2.355 62 W HA -0.211 4.449 4.660 0.000 0.000 0.309 62 W C 2.423 178.853 176.519 -0.148 0.000 1.206 62 W CA 0.631 57.889 57.345 -0.144 0.000 1.284 62 W CB -0.876 28.646 29.460 0.103 0.000 1.145 62 W HN 0.231 nan 8.180 nan 0.000 0.502 63 D N -0.353 120.168 120.400 0.201 0.000 2.172 63 D HA -0.186 4.454 4.640 0.000 0.000 0.196 63 D C 1.217 177.523 176.300 0.009 0.000 0.999 63 D CA 1.332 55.396 54.000 0.107 0.000 0.856 63 D CB -0.168 40.687 40.800 0.092 0.000 0.934 63 D HN 0.323 nan 8.370 nan 0.000 0.453 64 Q N -1.010 118.763 119.800 -0.046 0.000 2.253 64 Q HA 0.225 4.565 4.340 0.000 0.000 0.210 64 Q C 1.135 177.025 176.000 -0.184 0.000 0.907 64 Q CA 0.271 56.022 55.803 -0.087 0.000 0.948 64 Q CB 0.679 29.375 28.738 -0.069 0.000 1.033 64 Q HN 0.355 nan 8.270 nan 0.000 0.471 65 G N 0.726 109.332 108.800 -0.323 0.000 2.336 65 G HA2 -0.287 3.673 3.960 0.000 0.000 0.233 65 G HA3 -0.287 3.673 3.960 0.000 0.000 0.233 65 G C 0.060 174.312 174.900 -1.080 0.000 1.053 65 G CA -0.089 44.685 45.100 -0.544 0.000 0.625 65 G HN 0.451 nan 8.290 nan 0.000 0.511 66 N N 0.449 118.736 118.700 -0.689 0.000 2.513 66 N HA 0.537 5.277 4.740 0.000 0.000 0.268 66 N C -0.573 174.435 175.510 -0.836 0.000 1.180 66 N CA 0.366 53.057 53.050 -0.599 0.000 0.948 66 N CB 0.260 38.618 38.487 -0.216 0.000 1.083 66 N HN 0.175 nan 8.380 nan 0.000 0.455 67 F N 1.203 120.998 119.950 -0.259 0.000 2.564 67 F HA 0.324 4.851 4.527 0.000 0.000 0.329 67 F C -2.151 173.574 175.800 -0.124 0.000 1.458 67 F CA -2.128 55.448 58.000 -0.706 0.000 1.117 67 F CB 0.426 38.430 39.000 -1.660 0.000 1.383 67 F HN 0.286 nan 8.300 nan 0.000 0.571 68 P HA 0.106 nan 4.420 nan 0.000 0.272 68 P C -0.706 176.846 177.300 0.419 0.000 1.223 68 P CA -0.155 63.133 63.100 0.313 0.000 0.784 68 P CB 2.378 34.164 31.700 0.143 0.000 0.923 69 L N 3.909 125.269 121.223 0.228 0.000 2.319 69 L HA 0.499 4.839 4.340 0.000 0.000 0.281 69 L C -0.624 176.142 176.870 -0.173 0.000 1.005 69 L CA -0.619 54.130 54.840 -0.152 0.000 0.828 69 L CB 0.539 41.946 42.059 -1.086 0.000 1.227 69 L HN 0.291 nan 8.230 nan 0.000 0.415 70 I N 6.125 126.638 120.570 -0.095 0.000 2.355 70 I HA 0.412 4.582 4.170 0.000 0.000 0.288 70 I C -0.728 175.327 176.117 -0.104 0.000 0.999 70 I CA -0.395 60.852 61.300 -0.089 0.000 1.163 70 I CB 1.220 39.197 38.000 -0.039 0.000 1.316 70 I HN 0.551 nan 8.210 nan 0.000 0.454 71 I N 7.901 128.393 120.570 -0.131 0.000 2.339 71 I HA 0.305 4.475 4.170 0.000 0.000 0.290 71 I C 0.090 176.166 176.117 -0.067 0.000 0.994 71 I CA -0.592 60.643 61.300 -0.109 0.000 1.191 71 I CB 1.214 39.121 38.000 -0.154 0.000 1.343 71 I HN 0.511 nan 8.210 nan 0.000 0.458 72 K N 3.663 124.038 120.400 -0.041 0.000 2.627 72 K HA 0.327 4.647 4.320 0.000 0.000 0.269 72 K C 0.079 176.668 176.600 -0.018 0.000 1.029 72 K CA -0.808 55.464 56.287 -0.025 0.000 1.026 72 K CB 0.118 32.609 32.500 -0.016 0.000 1.350 72 K HN 0.416 nan 8.250 nan 0.000 0.506 73 N N 1.387 120.082 118.700 -0.008 0.000 3.024 73 N HA -0.213 4.527 4.740 0.000 0.000 0.296 73 N C -0.924 174.585 175.510 -0.001 0.000 1.053 73 N CA 0.047 53.096 53.050 -0.001 0.000 0.866 73 N CB -1.038 37.449 38.487 0.000 0.000 0.929 73 N HN 0.306 nan 8.380 nan 0.000 0.619 74 L N 0.611 121.833 121.223 -0.002 0.000 2.780 74 L HA -0.106 4.234 4.340 0.000 0.000 0.275 74 L C 0.997 177.870 176.870 0.005 0.000 1.153 74 L CA 0.751 55.590 54.840 -0.002 0.000 0.993 74 L CB 0.029 42.088 42.059 0.001 0.000 1.319 74 L HN 0.362 nan 8.230 nan 0.000 0.479 75 K N 3.112 123.515 120.400 0.004 0.000 2.258 75 K HA 0.136 4.456 4.320 0.000 0.000 0.284 75 K C 1.100 177.700 176.600 -0.002 0.000 1.051 75 K CA -0.671 55.619 56.287 0.004 0.000 0.923 75 K CB 1.195 33.699 32.500 0.006 0.000 1.046 75 K HN 0.352 nan 8.250 nan 0.000 0.474 76 I N 2.769 123.334 120.570 -0.009 0.000 2.181 76 I HA -0.359 3.811 4.170 0.000 0.000 0.247 76 I C 1.630 177.728 176.117 -0.031 0.000 1.081 76 I CA 1.606 62.889 61.300 -0.027 0.000 1.340 76 I CB -0.571 37.412 38.000 -0.028 0.000 1.036 76 I HN 0.681 nan 8.210 nan 0.000 0.417 77 E N 0.345 120.535 120.200 -0.016 0.000 2.335 77 E HA -0.093 4.257 4.350 0.000 0.000 0.191 77 E C 0.182 176.786 176.600 0.006 0.000 1.150 77 E CA 0.387 56.780 56.400 -0.012 0.000 1.001 77 E CB -0.406 29.288 29.700 -0.011 0.000 1.127 77 E HN 0.511 nan 8.360 nan 0.000 0.462 78 D N 0.811 121.225 120.400 0.022 0.000 2.367 78 D HA 0.013 4.653 4.640 0.000 0.000 0.207 78 D C -0.037 176.340 176.300 0.127 0.000 1.034 78 D CA 0.157 54.209 54.000 0.086 0.000 0.861 78 D CB 0.338 41.184 40.800 0.076 0.000 0.943 78 D HN -0.028 nan 8.370 nan 0.000 0.515 79 S N 1.916 117.641 115.700 0.041 0.000 2.611 79 S HA 0.101 4.571 4.470 0.000 0.000 0.317 79 S C -0.063 174.565 174.600 0.046 0.000 1.208 79 S CA 0.447 58.666 58.200 0.031 0.000 1.217 79 S CB 0.267 63.434 63.200 -0.055 0.000 1.085 79 S HN 0.170 nan 8.310 nan 0.000 0.529 80 D N 0.677 121.155 120.400 0.130 0.000 2.692 80 D HA 0.321 4.961 4.640 0.000 0.000 0.303 80 D C -1.130 175.232 176.300 0.105 0.000 1.278 80 D CA -0.435 53.565 54.000 -0.001 0.000 0.852 80 D CB 1.568 42.202 40.800 -0.277 0.000 1.375 80 D HN 0.240 nan 8.370 nan 0.000 0.453 81 T N 1.664 116.218 114.554 -0.000 0.000 2.801 81 T HA 0.435 4.785 4.350 0.000 0.000 0.306 81 T C -0.678 174.068 174.700 0.077 0.000 1.020 81 T CA -0.270 61.899 62.100 0.116 0.000 0.948 81 T CB -0.276 68.633 68.868 0.069 0.000 0.962 81 T HN 0.095 nan 8.240 nan 0.000 0.465 82 Y N 2.253 122.631 120.300 0.129 0.000 2.376 82 Y HA 0.644 5.194 4.550 0.000 0.000 0.325 82 Y C 0.503 176.614 175.900 0.351 0.000 1.199 82 Y CA -1.573 56.662 58.100 0.225 0.000 1.206 82 Y CB 0.790 39.353 38.460 0.171 0.000 1.229 82 Y HN 0.458 nan 8.280 nan 0.000 0.480 83 I N 1.493 122.383 120.570 0.533 0.000 2.545 83 I HA 0.310 4.480 4.170 0.000 0.000 0.292 83 I C -1.088 175.161 176.117 0.220 0.000 1.040 83 I CA -0.631 60.869 61.300 0.333 0.000 1.068 83 I CB 1.889 39.996 38.000 0.178 0.000 1.251 83 I HN 0.507 nan 8.210 nan 0.000 0.424 84 C N 5.299 124.492 119.300 -0.179 0.000 2.250 84 C HA 0.270 4.730 4.460 0.000 0.000 0.319 84 C C 0.326 175.132 174.990 -0.307 0.000 1.124 84 C CA -0.438 58.179 59.018 -0.669 0.000 1.527 84 C CB -0.684 26.184 27.740 -1.453 0.000 2.001 84 C HN 0.681 nan 8.230 nan 0.000 0.435 85 E N 3.588 123.701 120.200 -0.146 0.000 1.932 85 E HA 0.275 4.625 4.350 0.000 0.000 0.275 85 E C -0.279 176.102 176.600 -0.365 0.000 1.159 85 E CA -0.017 56.304 56.400 -0.131 0.000 0.905 85 E CB 0.783 30.554 29.700 0.119 0.000 1.059 85 E HN 0.520 nan 8.360 nan 0.000 0.400 86 V N 2.393 122.137 119.914 -0.282 0.000 2.975 86 V HA 0.015 4.135 4.120 0.000 0.000 0.318 86 V C 1.328 177.281 176.094 -0.234 0.000 1.077 86 V CA -0.666 61.453 62.300 -0.302 0.000 1.000 86 V CB 1.642 33.353 31.823 -0.186 0.000 1.066 86 V HN 0.613 nan 8.190 nan 0.000 0.452 87 E N 1.299 121.362 120.200 -0.228 0.000 2.598 87 E HA -0.265 4.085 4.350 0.000 0.000 0.252 87 E C 0.148 176.686 176.600 -0.104 0.000 1.243 87 E CA 1.839 58.145 56.400 -0.157 0.000 0.946 87 E CB -0.446 29.186 29.700 -0.113 0.000 0.827 87 E HN 0.769 nan 8.360 nan 0.000 0.526 88 D N -1.640 118.705 120.400 -0.093 0.000 4.437 88 D HA -0.046 4.594 4.640 0.000 0.000 0.097 88 D C -0.571 175.702 176.300 -0.046 0.000 0.398 88 D CA 0.304 54.268 54.000 -0.059 0.000 0.575 88 D CB -1.047 39.726 40.800 -0.044 0.000 1.641 88 D HN 0.354 nan 8.370 nan 0.000 0.033 89 Q N 0.192 119.958 119.800 -0.056 0.000 2.630 89 Q HA 0.462 4.802 4.340 0.000 0.000 0.295 89 Q C -1.626 174.348 176.000 -0.044 0.000 0.944 89 Q CA -0.578 55.202 55.803 -0.039 0.000 0.766 89 Q CB 2.055 30.773 28.738 -0.034 0.000 1.471 89 Q HN -0.096 nan 8.270 nan 0.000 0.416 90 K N 1.487 121.873 120.400 -0.023 0.000 2.378 90 K HA 0.431 4.751 4.320 0.000 0.000 0.252 90 K C -1.276 175.322 176.600 -0.003 0.000 0.931 90 K CA -0.809 55.469 56.287 -0.015 0.000 0.794 90 K CB 1.998 34.505 32.500 0.011 0.000 1.181 90 K HN 0.367 nan 8.250 nan 0.000 0.425 91 E N 2.428 122.623 120.200 -0.010 0.000 2.129 91 E HA 0.137 4.487 4.350 0.000 0.000 0.268 91 E C -0.994 175.668 176.600 0.103 0.000 0.900 91 E CA -0.365 56.051 56.400 0.028 0.000 0.755 91 E CB 1.819 31.513 29.700 -0.009 0.000 1.117 91 E HN 0.468 nan 8.360 nan 0.000 0.410 92 E N 1.946 122.213 120.200 0.113 0.000 2.167 92 E HA 0.325 4.675 4.350 0.000 0.000 0.284 92 E C -0.965 175.741 176.600 0.177 0.000 1.016 92 E CA -0.481 56.007 56.400 0.147 0.000 0.817 92 E CB 1.369 31.130 29.700 0.101 0.000 1.080 92 E HN 0.117 nan 8.360 nan 0.000 0.397 93 V N 4.089 124.151 119.914 0.248 0.000 2.569 93 V HA 0.216 4.336 4.120 0.000 0.000 0.301 93 V C -0.480 175.755 176.094 0.235 0.000 1.044 93 V CA -0.895 61.541 62.300 0.227 0.000 0.874 93 V CB 1.601 33.581 31.823 0.262 0.000 1.002 93 V HN 0.640 nan 8.190 nan 0.000 0.424 94 Q N 3.447 123.345 119.800 0.164 0.000 2.314 94 Q HA 0.614 4.954 4.340 0.000 0.000 0.259 94 Q C -1.375 174.695 176.000 0.116 0.000 0.951 94 Q CA -0.801 55.097 55.803 0.158 0.000 0.909 94 Q CB 1.832 30.634 28.738 0.108 0.000 1.236 94 Q HN 0.719 nan 8.270 nan 0.000 0.444 95 L N 6.319 127.617 121.223 0.126 0.000 2.272 95 L HA 0.400 4.740 4.340 0.000 0.000 0.284 95 L C -1.605 175.278 176.870 0.023 0.000 1.045 95 L CA -0.117 54.746 54.840 0.038 0.000 0.842 95 L CB 0.747 42.774 42.059 -0.053 0.000 1.224 95 L HN 0.628 nan 8.230 nan 0.000 0.430 96 L N 6.231 127.452 121.223 -0.003 0.000 2.265 96 L HA 0.527 4.867 4.340 0.000 0.000 0.289 96 L C 0.048 176.776 176.870 -0.236 0.000 1.033 96 L CA -0.881 53.884 54.840 -0.125 0.000 0.814 96 L CB 1.259 43.264 42.059 -0.090 0.000 1.203 96 L HN 0.329 nan 8.230 nan 0.000 0.423 97 V N 1.124 120.851 119.914 -0.311 0.000 3.441 97 V HA 0.527 4.647 4.120 0.000 0.000 0.300 97 V C -0.269 175.470 176.094 -0.592 0.000 1.062 97 V CA -0.491 61.670 62.300 -0.231 0.000 1.064 97 V CB 1.126 32.893 31.823 -0.094 0.000 1.197 97 V HN 0.463 nan 8.190 nan 0.000 0.451 98 F N -1.566 118.472 119.950 0.148 0.000 2.779 98 F HA 0.747 5.274 4.527 0.000 0.000 0.316 98 F C 0.240 176.169 175.800 0.215 0.000 1.164 98 F CA -0.256 57.858 58.000 0.190 0.000 0.924 98 F CB 2.136 41.312 39.000 0.292 0.000 1.348 98 F HN 0.769 nan 8.300 nan 0.000 0.467 99 G N 1.931 110.871 108.800 0.234 0.000 2.460 99 G HA2 0.468 4.428 3.960 0.000 0.000 0.299 99 G HA3 0.468 4.428 3.960 0.000 0.000 0.299 99 G C -2.269 172.400 174.900 -0.386 0.000 1.592 99 G CA -0.503 44.528 45.100 -0.114 0.000 1.008 99 G HN 0.607 nan 8.290 nan 0.000 0.513 100 L N 1.987 122.614 121.223 -0.994 0.000 2.367 100 L HA 0.782 5.122 4.340 0.000 0.000 0.275 100 L C 0.222 176.829 176.870 -0.438 0.000 1.129 100 L CA 0.594 55.015 54.840 -0.699 0.000 0.839 100 L CB 1.453 42.974 42.059 -0.896 0.000 1.133 100 L HN 0.369 nan 8.230 nan 0.000 0.453 101 T N 3.764 118.162 114.554 -0.261 0.000 2.932 101 T HA 0.752 5.102 4.350 0.000 0.000 0.318 101 T C -1.377 173.233 174.700 -0.150 0.000 1.265 101 T CA -0.256 61.733 62.100 -0.185 0.000 1.036 101 T CB 1.392 70.175 68.868 -0.143 0.000 1.209 101 T HN 0.763 nan 8.240 nan 0.000 0.484 102 A N 2.601 125.340 122.820 -0.135 0.000 2.303 102 A HA 0.558 4.878 4.320 0.000 0.000 0.320 102 A C 0.998 178.526 177.584 -0.093 0.000 1.192 102 A CA -0.688 51.273 52.037 -0.125 0.000 0.821 102 A CB 0.558 19.472 19.000 -0.143 0.000 1.188 102 A HN 0.891 nan 8.150 nan 0.000 0.492 103 N N 1.515 120.167 118.700 -0.079 0.000 2.336 103 N HA -0.124 4.616 4.740 0.000 0.000 0.177 103 N C 1.262 176.742 175.510 -0.051 0.000 1.018 103 N CA 1.287 54.301 53.050 -0.060 0.000 0.878 103 N CB -0.170 38.286 38.487 -0.050 0.000 0.997 103 N HN 0.637 nan 8.380 nan 0.000 0.433 104 S N 0.985 116.652 115.700 -0.055 0.000 2.584 104 S HA -0.079 4.391 4.470 0.000 0.000 0.240 104 S C 0.633 175.210 174.600 -0.038 0.000 0.975 104 S CA 0.114 58.288 58.200 -0.043 0.000 0.949 104 S CB -0.466 62.707 63.200 -0.045 0.000 0.761 104 S HN 0.200 nan 8.310 nan 0.000 0.536 105 D N 2.216 122.588 120.400 -0.048 0.000 3.568 105 D HA -0.175 4.465 4.640 0.000 0.000 0.239 105 D C 0.050 176.328 176.300 -0.037 0.000 0.841 105 D CA 1.620 55.591 54.000 -0.048 0.000 0.827 105 D CB -1.037 39.734 40.800 -0.049 0.000 0.975 105 D HN 0.303 nan 8.370 nan 0.000 0.346 106 T N 0.333 114.855 114.554 -0.052 0.000 2.153 106 T HA -0.162 4.188 4.350 0.000 0.000 0.179 106 T C -0.141 174.567 174.700 0.013 0.000 1.064 106 T CA 1.442 63.493 62.100 -0.081 0.000 1.637 106 T CB -1.016 67.816 68.868 -0.059 0.000 0.966 106 T HN 0.509 nan 8.240 nan 0.000 0.412 107 H N -0.892 118.167 119.070 -0.019 0.000 3.101 107 H HA -0.100 4.456 4.556 0.000 0.000 0.350 107 H C -0.515 174.799 175.328 -0.023 0.000 1.157 107 H CA -0.270 55.764 56.048 -0.023 0.000 1.141 107 H CB -1.467 28.277 29.762 -0.031 0.000 1.595 107 H HN 0.461 nan 8.280 nan 0.000 0.406 108 L N 3.055 124.312 121.223 0.058 0.000 2.264 108 L HA 0.381 4.721 4.340 0.000 0.000 0.289 108 L C 0.242 177.136 176.870 0.040 0.000 1.044 108 L CA -0.343 54.520 54.840 0.038 0.000 0.807 108 L CB 0.692 42.763 42.059 0.019 0.000 1.192 108 L HN 0.218 nan 8.230 nan 0.000 0.425 109 L N 1.626 122.868 121.223 0.032 0.000 2.440 109 L HA 0.443 4.783 4.340 0.000 0.000 0.262 109 L C 0.530 177.424 176.870 0.040 0.000 1.072 109 L CA -0.578 54.278 54.840 0.026 0.000 0.798 109 L CB 0.243 42.309 42.059 0.012 0.000 1.307 109 L HN 0.516 nan 8.230 nan 0.000 0.475 110 Q N -0.333 119.498 119.800 0.051 0.000 2.414 110 Q HA 0.223 4.563 4.340 0.000 0.000 0.288 110 Q C 1.161 177.191 176.000 0.049 0.000 1.086 110 Q CA 1.461 57.299 55.803 0.058 0.000 0.943 110 Q CB 0.179 28.962 28.738 0.076 0.000 1.282 110 Q HN 0.740 nan 8.270 nan 0.000 0.438 111 G N 1.511 110.334 108.800 0.039 0.000 4.861 111 G HA2 -0.450 3.510 3.960 0.000 0.000 0.226 111 G HA3 -0.450 3.510 3.960 0.000 0.000 0.226 111 G C -0.179 174.732 174.900 0.019 0.000 1.350 111 G CA 0.547 45.661 45.100 0.024 0.000 1.018 111 G HN 0.715 nan 8.290 nan 0.000 0.712 112 Q N 2.537 122.349 119.800 0.020 0.000 3.186 112 Q HA 0.262 4.602 4.340 0.000 0.000 0.346 112 Q C 0.718 176.719 176.000 0.001 0.000 1.137 112 Q CA 0.260 56.069 55.803 0.010 0.000 1.199 112 Q CB -0.201 28.545 28.738 0.012 0.000 0.986 112 Q HN 0.619 nan 8.270 nan 0.000 0.426 113 S N 1.836 117.532 115.700 -0.006 0.000 2.536 113 S HA -0.006 4.464 4.470 0.000 0.000 0.290 113 S C -0.094 174.484 174.600 -0.037 0.000 1.302 113 S CA -0.175 58.014 58.200 -0.018 0.000 1.037 113 S CB 0.344 63.532 63.200 -0.021 0.000 0.804 113 S HN 0.471 nan 8.310 nan 0.000 0.506 114 L N 2.406 123.592 121.223 -0.062 0.000 2.346 114 L HA 0.699 5.039 4.340 0.000 0.000 0.276 114 L C -0.004 176.792 176.870 -0.124 0.000 1.006 114 L CA -0.073 54.703 54.840 -0.107 0.000 0.817 114 L CB 1.977 43.938 42.059 -0.163 0.000 1.272 114 L HN 0.721 nan 8.230 nan 0.000 0.421 115 T N 4.887 119.367 114.554 -0.123 0.000 2.841 115 T HA 0.654 5.004 4.350 0.000 0.000 0.283 115 T C -0.966 173.650 174.700 -0.139 0.000 1.000 115 T CA -0.555 61.476 62.100 -0.114 0.000 0.977 115 T CB 0.799 69.620 68.868 -0.079 0.000 0.979 115 T HN 0.604 nan 8.240 nan 0.000 0.446 116 L N 4.441 125.582 121.223 -0.137 0.000 2.388 116 L HA 0.408 4.748 4.340 0.000 0.000 0.267 116 L C 0.038 176.843 176.870 -0.110 0.000 0.995 116 L CA -0.687 54.065 54.840 -0.147 0.000 0.864 116 L CB 1.836 43.784 42.059 -0.185 0.000 1.216 116 L HN 0.781 nan 8.230 nan 0.000 0.430 117 T N 2.884 117.378 114.554 -0.099 0.000 2.928 117 T HA 0.622 4.973 4.350 0.000 0.000 0.284 117 T C -0.513 174.138 174.700 -0.082 0.000 1.008 117 T CA -0.409 61.647 62.100 -0.073 0.000 1.057 117 T CB 2.399 71.231 68.868 -0.058 0.000 1.018 117 T HN 0.211 nan 8.240 nan 0.000 0.493 118 L N 1.342 122.536 121.223 -0.048 0.000 2.354 118 L HA 0.530 4.870 4.340 0.000 0.000 0.269 118 L C -0.453 176.426 176.870 0.015 0.000 1.005 118 L CA -0.523 54.298 54.840 -0.031 0.000 0.819 118 L CB 1.914 43.977 42.059 0.007 0.000 1.311 118 L HN 0.602 nan 8.230 nan 0.000 0.423 119 E N 1.653 121.872 120.200 0.033 0.000 2.204 119 E HA 0.721 5.071 4.350 0.000 0.000 0.276 119 E C -1.289 175.380 176.600 0.116 0.000 0.974 119 E CA -0.533 55.892 56.400 0.043 0.000 0.815 119 E CB 1.755 31.460 29.700 0.008 0.000 1.119 119 E HN 0.620 nan 8.360 nan 0.000 0.393 120 S N 1.739 117.463 115.700 0.040 0.000 2.567 120 S HA 0.337 4.807 4.470 0.000 0.000 0.270 120 S C -2.762 171.769 174.600 -0.114 0.000 1.152 120 S CA -1.155 57.008 58.200 -0.062 0.000 0.835 120 S CB 1.507 64.824 63.200 0.195 0.000 1.115 120 S HN 0.421 nan 8.310 nan 0.000 0.459 121 P HA 0.202 nan 4.420 nan 0.000 0.267 121 P C -2.201 175.070 177.300 -0.049 0.000 1.205 121 P CA -0.756 62.269 63.100 -0.124 0.000 0.765 121 P CB -0.203 31.406 31.700 -0.153 0.000 0.828 122 P HA -0.224 nan 4.420 nan 0.000 0.224 122 P C 1.201 178.504 177.300 0.005 0.000 1.153 122 P CA 2.277 65.372 63.100 -0.008 0.000 0.947 122 P CB -0.387 31.306 31.700 -0.011 0.000 0.790 123 G N -1.749 107.053 108.800 0.003 0.000 3.782 123 G HA2 0.338 4.298 3.960 0.000 0.000 0.288 123 G HA3 0.338 4.298 3.960 0.000 0.000 0.288 123 G C -0.409 174.510 174.900 0.032 0.000 1.300 123 G CA -0.032 45.078 45.100 0.016 0.000 1.261 123 G HN 0.290 nan 8.290 nan 0.000 0.591 124 S N -1.118 114.613 115.700 0.051 0.000 2.618 124 S HA 0.749 5.219 4.470 0.000 0.000 0.277 124 S C -0.790 173.888 174.600 0.129 0.000 1.138 124 S CA -0.739 57.515 58.200 0.090 0.000 0.844 124 S CB 2.156 65.424 63.200 0.114 0.000 1.127 124 S HN 0.031 nan 8.310 nan 0.000 0.474 125 S N 2.673 118.457 115.700 0.140 0.000 2.500 125 S HA 0.788 5.258 4.470 0.000 0.000 0.301 125 S C -2.557 172.122 174.600 0.132 0.000 1.092 125 S CA -1.043 57.236 58.200 0.130 0.000 1.030 125 S CB 1.670 64.915 63.200 0.075 0.000 1.031 125 S HN 0.628 nan 8.310 nan 0.000 0.483 126 P HA 0.688 nan 4.420 nan 0.000 0.307 126 P C -1.254 176.029 177.300 -0.028 0.000 1.307 126 P CA -0.786 62.299 63.100 -0.025 0.000 0.814 126 P CB 1.505 33.179 31.700 -0.043 0.000 1.311 127 S N -1.238 114.420 115.700 -0.070 0.000 2.543 127 S HA 0.421 4.891 4.470 0.000 0.000 0.273 127 S C -1.167 173.406 174.600 -0.046 0.000 1.152 127 S CA -0.441 57.737 58.200 -0.037 0.000 0.910 127 S CB 1.128 64.313 63.200 -0.026 0.000 1.105 127 S HN 0.215 nan 8.310 nan 0.000 0.465 128 V N 3.386 123.288 119.914 -0.021 0.000 2.487 128 V HA 0.545 4.665 4.120 0.000 0.000 0.298 128 V C -0.235 175.867 176.094 0.014 0.000 1.028 128 V CA -0.613 61.683 62.300 -0.006 0.000 0.860 128 V CB 1.696 33.514 31.823 -0.008 0.000 0.991 128 V HN 0.852 nan 8.190 nan 0.000 0.427 129 Q N 3.987 123.805 119.800 0.030 0.000 2.506 129 Q HA 0.311 4.651 4.340 0.000 0.000 0.242 129 Q C -1.188 174.866 176.000 0.090 0.000 1.060 129 Q CA -0.447 55.386 55.803 0.050 0.000 0.826 129 Q CB 1.008 29.767 28.738 0.035 0.000 1.169 129 Q HN 0.815 nan 8.270 nan 0.000 0.521 130 C N 4.937 124.311 119.300 0.123 0.000 2.289 130 C HA 0.375 4.835 4.460 0.000 0.000 0.340 130 C C 0.468 175.647 174.990 0.314 0.000 1.152 130 C CA -0.564 58.587 59.018 0.223 0.000 1.650 130 C CB -0.902 26.947 27.740 0.183 0.000 2.203 130 C HN 0.729 nan 8.230 nan 0.000 0.511 131 R N 2.428 123.066 120.500 0.230 0.000 2.389 131 R HA 0.343 4.683 4.340 0.000 0.000 0.295 131 R C 0.595 176.935 176.300 0.068 0.000 1.075 131 R CA 0.060 56.232 56.100 0.119 0.000 1.005 131 R CB 0.791 31.121 30.300 0.049 0.000 0.987 131 R HN 0.816 nan 8.270 nan 0.000 0.452 132 S N 3.244 118.790 115.700 -0.257 0.000 2.645 132 S HA 0.205 4.675 4.470 0.000 0.000 0.266 132 S C -1.833 172.384 174.600 -0.638 0.000 1.258 132 S CA -1.321 56.283 58.200 -0.993 0.000 0.990 132 S CB 1.073 63.592 63.200 -1.134 0.000 0.967 132 S HN 0.381 nan 8.310 nan 0.000 0.556 133 P HA 0.073 nan 4.420 nan 0.000 0.223 133 P C 0.101 177.238 177.300 -0.272 0.000 1.151 133 P CA 0.878 63.751 63.100 -0.378 0.000 0.787 133 P CB 0.170 31.669 31.700 -0.335 0.000 0.788 134 R N -0.736 119.571 120.500 -0.321 0.000 2.539 134 R HA 0.477 4.817 4.340 0.000 0.000 0.295 134 R C 0.376 176.559 176.300 -0.195 0.000 1.138 134 R CA -0.010 55.968 56.100 -0.202 0.000 0.936 134 R CB 1.090 31.299 30.300 -0.151 0.000 1.182 134 R HN 0.117 nan 8.270 nan 0.000 0.459 135 G N 2.944 111.658 108.800 -0.143 0.000 2.547 135 G HA2 -0.406 3.554 3.960 0.000 0.000 0.271 135 G HA3 -0.406 3.554 3.960 0.000 0.000 0.271 135 G C -0.661 174.176 174.900 -0.105 0.000 1.209 135 G CA 0.190 45.228 45.100 -0.103 0.000 0.959 135 G HN 0.810 nan 8.290 nan 0.000 0.563 136 K N 0.050 120.415 120.400 -0.059 0.000 4.926 136 K HA -0.219 4.101 4.320 0.000 0.000 0.412 136 K C 0.004 176.615 176.600 0.018 0.000 0.867 136 K CA 1.278 57.557 56.287 -0.013 0.000 0.998 136 K CB -1.345 31.160 32.500 0.008 0.000 1.967 136 K HN 0.626 nan 8.250 nan 0.000 0.314 137 N N 5.054 123.771 118.700 0.029 0.000 3.178 137 N HA 0.048 4.788 4.740 0.000 0.000 0.300 137 N C 0.119 175.676 175.510 0.078 0.000 1.242 137 N CA -0.096 52.984 53.050 0.050 0.000 1.192 137 N CB 0.136 38.641 38.487 0.030 0.000 1.463 137 N HN 0.492 nan 8.380 nan 0.000 0.539 138 I N 2.445 123.095 120.570 0.133 0.000 2.598 138 I HA -0.096 4.074 4.170 0.000 0.000 0.284 138 I C -0.148 176.030 176.117 0.103 0.000 1.140 138 I CA 0.078 61.457 61.300 0.133 0.000 1.420 138 I CB 0.285 38.406 38.000 0.203 0.000 1.387 138 I HN 0.378 nan 8.210 nan 0.000 0.553 139 Q N 6.243 126.080 119.800 0.060 0.000 2.451 139 Q HA 0.924 5.264 4.340 0.000 0.000 0.281 139 Q C -0.665 175.347 176.000 0.021 0.000 1.099 139 Q CA -0.832 54.994 55.803 0.039 0.000 0.806 139 Q CB 2.084 30.841 28.738 0.031 0.000 1.419 139 Q HN 0.666 nan 8.270 nan 0.000 0.427 140 G N -0.670 108.136 108.800 0.009 0.000 2.694 140 G HA2 0.635 4.595 3.960 0.000 0.000 0.246 140 G HA3 0.635 4.595 3.960 0.000 0.000 0.246 140 G C -0.735 174.163 174.900 -0.002 0.000 1.205 140 G CA -0.278 44.822 45.100 0.001 0.000 0.891 140 G HN 0.822 nan 8.290 nan 0.000 0.515 141 G N -0.635 108.162 108.800 -0.005 0.000 3.271 141 G HA2 0.433 4.393 3.960 0.000 0.000 0.174 141 G HA3 0.433 4.393 3.960 0.000 0.000 0.174 141 G C 1.001 175.899 174.900 -0.002 0.000 1.385 141 G CA 0.567 45.666 45.100 -0.001 0.000 0.979 141 G HN 0.850 nan 8.290 nan 0.000 0.610 142 K N -0.943 119.460 120.400 0.005 0.000 2.555 142 K HA 0.219 4.539 4.320 0.000 0.000 0.193 142 K C 0.001 176.596 176.600 -0.009 0.000 1.032 142 K CA 0.759 57.053 56.287 0.011 0.000 1.004 142 K CB 0.128 32.641 32.500 0.022 0.000 0.804 142 K HN 0.156 nan 8.250 nan 0.000 0.496 143 T N 0.882 115.425 114.554 -0.018 0.000 3.097 143 T HA 0.492 4.842 4.350 0.000 0.000 0.332 143 T C -2.243 172.436 174.700 -0.035 0.000 1.269 143 T CA -0.960 61.120 62.100 -0.033 0.000 1.076 143 T CB 1.273 70.123 68.868 -0.030 0.000 1.209 143 T HN 0.334 nan 8.240 nan 0.000 0.474 144 L N 0.651 121.842 121.223 -0.053 0.000 2.565 144 L HA 0.949 5.289 4.340 0.000 0.000 0.261 144 L C -0.953 175.866 176.870 -0.085 0.000 0.932 144 L CA -0.515 54.294 54.840 -0.052 0.000 0.878 144 L CB 2.149 44.185 42.059 -0.039 0.000 1.333 144 L HN 0.449 nan 8.230 nan 0.000 0.409 145 S N 1.833 117.488 115.700 -0.075 0.000 2.513 145 S HA 0.766 5.236 4.470 0.000 0.000 0.299 145 S C -0.409 174.142 174.600 -0.082 0.000 1.087 145 S CA -0.768 57.373 58.200 -0.097 0.000 1.012 145 S CB 2.179 65.336 63.200 -0.072 0.000 1.044 145 S HN 0.548 nan 8.310 nan 0.000 0.485 146 V N 3.666 123.509 119.914 -0.119 0.000 2.461 146 V HA 0.198 4.318 4.120 0.000 0.000 0.275 146 V C 1.381 177.465 176.094 -0.017 0.000 1.047 146 V CA -0.195 62.073 62.300 -0.054 0.000 0.955 146 V CB 0.706 32.473 31.823 -0.094 0.000 0.988 146 V HN 1.140 nan 8.190 nan 0.000 0.471 147 S N 5.723 121.432 115.700 0.015 0.000 2.298 147 S HA -0.159 4.311 4.470 0.000 0.000 0.261 147 S C 0.422 175.032 174.600 0.017 0.000 1.347 147 S CA 0.616 58.824 58.200 0.014 0.000 2.316 147 S CB -0.396 62.817 63.200 0.022 0.000 0.678 147 S HN 0.826 nan 8.310 nan 0.000 0.358 148 Q N 1.227 121.043 119.800 0.026 0.000 2.347 148 Q HA 0.674 5.014 4.340 0.000 0.000 0.262 148 Q C -1.373 174.656 176.000 0.049 0.000 0.980 148 Q CA -0.402 55.417 55.803 0.027 0.000 0.867 148 Q CB 0.858 29.605 28.738 0.015 0.000 1.242 148 Q HN 0.435 nan 8.270 nan 0.000 0.453 149 L N 2.463 123.722 121.223 0.060 0.000 2.513 149 L HA 0.061 4.401 4.340 0.000 0.000 0.272 149 L C 0.403 177.318 176.870 0.076 0.000 1.187 149 L CA 0.755 55.649 54.840 0.091 0.000 0.895 149 L CB 0.094 42.214 42.059 0.102 0.000 1.147 149 L HN 0.571 nan 8.230 nan 0.000 0.483 150 E N 2.877 123.124 120.200 0.078 0.000 2.166 150 E HA 0.107 4.457 4.350 0.000 0.000 0.275 150 E C 0.584 177.218 176.600 0.057 0.000 0.941 150 E CA -0.807 55.627 56.400 0.057 0.000 0.784 150 E CB 1.737 31.463 29.700 0.043 0.000 1.115 150 E HN 0.449 nan 8.360 nan 0.000 0.399 151 L N 4.345 125.599 121.223 0.052 0.000 2.239 151 L HA -0.392 3.948 4.340 0.000 0.000 0.242 151 L C 2.339 179.230 176.870 0.036 0.000 1.130 151 L CA 3.031 57.900 54.840 0.048 0.000 0.852 151 L CB -1.308 40.778 42.059 0.045 0.000 0.959 151 L HN 0.832 nan 8.230 nan 0.000 0.447 152 Q N -1.143 118.668 119.800 0.017 0.000 2.389 152 Q HA -0.195 4.145 4.340 0.000 0.000 0.213 152 Q C 0.994 176.967 176.000 -0.044 0.000 0.989 152 Q CA 2.101 57.897 55.803 -0.012 0.000 0.891 152 Q CB -0.646 28.079 28.738 -0.021 0.000 0.923 152 Q HN 0.586 nan 8.270 nan 0.000 0.455 153 D N 0.400 120.794 120.400 -0.010 0.000 2.413 153 D HA 0.106 4.746 4.640 0.000 0.000 0.237 153 D C -0.624 175.712 176.300 0.060 0.000 1.171 153 D CA 0.138 54.121 54.000 -0.028 0.000 0.839 153 D CB 0.187 41.069 40.800 0.136 0.000 0.950 153 D HN 0.179 nan 8.370 nan 0.000 0.499 154 S N -0.718 115.000 115.700 0.031 0.000 2.554 154 S HA 0.618 5.088 4.470 0.000 0.000 0.278 154 S C 0.658 175.278 174.600 0.033 0.000 1.242 154 S CA 0.140 58.383 58.200 0.072 0.000 1.051 154 S CB 1.357 64.587 63.200 0.050 0.000 0.986 154 S HN 0.465 nan 8.310 nan 0.000 0.502 155 G N 2.163 111.013 108.800 0.084 0.000 2.181 155 G HA2 0.033 3.993 3.960 0.000 0.000 0.098 155 G HA3 0.033 3.993 3.960 0.000 0.000 0.098 155 G C -0.574 174.393 174.900 0.111 0.000 1.237 155 G CA -0.104 45.028 45.100 0.052 0.000 1.238 155 G HN 0.816 nan 8.290 nan 0.000 0.468 156 T N 0.778 115.372 114.554 0.066 0.000 2.881 156 T HA 0.582 4.932 4.350 0.000 0.000 0.291 156 T C -0.899 173.875 174.700 0.124 0.000 0.990 156 T CA -0.195 61.986 62.100 0.135 0.000 0.976 156 T CB 0.523 69.439 68.868 0.079 0.000 0.970 156 T HN 0.449 nan 8.240 nan 0.000 0.438 157 W N 2.061 123.370 121.300 0.016 0.000 2.181 157 W HA 0.547 5.207 4.660 0.000 0.000 0.415 157 W C 0.494 177.030 176.519 0.028 0.000 1.689 157 W CA -0.424 56.932 57.345 0.018 0.000 1.859 157 W CB 0.558 30.028 29.460 0.017 0.000 1.425 157 W HN 0.441 nan 8.180 nan 0.000 0.713 158 T N -0.220 114.517 114.554 0.305 0.000 3.477 158 T HA 0.245 4.595 4.350 0.000 0.000 0.277 158 T C -0.942 173.870 174.700 0.185 0.000 1.090 158 T CA -0.862 61.352 62.100 0.190 0.000 1.635 158 T CB -1.051 67.878 68.868 0.102 0.000 0.817 158 T HN 0.297 nan 8.240 nan 0.000 0.609 159 C N 2.236 121.663 119.300 0.211 0.000 2.644 159 C HA 0.626 5.086 4.460 0.000 0.000 0.417 159 C C 1.053 176.140 174.990 0.161 0.000 1.304 159 C CA -0.311 58.810 59.018 0.172 0.000 2.035 159 C CB -0.265 27.558 27.740 0.139 0.000 2.673 159 C HN 0.739 nan 8.230 nan 0.000 0.602 160 T N 2.179 116.792 114.554 0.099 0.000 2.809 160 T HA 0.315 4.665 4.350 0.000 0.000 0.284 160 T C -0.256 174.452 174.700 0.014 0.000 0.992 160 T CA -0.294 61.833 62.100 0.045 0.000 0.957 160 T CB 1.199 70.070 68.868 0.005 0.000 0.942 160 T HN 0.432 nan 8.240 nan 0.000 0.439 161 V N 5.348 125.253 119.914 -0.016 0.000 2.313 161 V HA 0.243 4.363 4.120 0.000 0.000 0.252 161 V C 0.333 176.260 176.094 -0.278 0.000 1.112 161 V CA -0.481 61.720 62.300 -0.166 0.000 0.984 161 V CB 0.043 31.719 31.823 -0.245 0.000 1.157 161 V HN 0.711 nan 8.190 nan 0.000 0.493 162 L N 5.481 126.594 121.223 -0.183 0.000 2.349 162 L HA 0.606 4.946 4.340 0.000 0.000 0.275 162 L C -0.161 176.614 176.870 -0.159 0.000 1.115 162 L CA -0.036 54.721 54.840 -0.138 0.000 0.820 162 L CB 1.219 43.238 42.059 -0.067 0.000 1.135 162 L HN 0.839 nan 8.230 nan 0.000 0.445 163 Q N 5.853 125.591 119.800 -0.103 0.000 2.364 163 Q HA 0.359 4.699 4.340 0.000 0.000 0.251 163 Q C -0.641 175.382 176.000 0.037 0.000 0.927 163 Q CA -0.495 55.302 55.803 -0.009 0.000 0.924 163 Q CB 0.999 29.772 28.738 0.058 0.000 1.419 163 Q HN 0.863 nan 8.270 nan 0.000 0.427 164 N N 1.578 120.305 118.700 0.046 0.000 6.506 164 N HA -0.263 4.477 4.740 0.000 0.000 0.396 164 N C -0.326 175.199 175.510 0.026 0.000 0.931 164 N CA 1.204 54.281 53.050 0.045 0.000 1.204 164 N CB -0.326 38.201 38.487 0.066 0.000 0.829 164 N HN 0.972 nan 8.380 nan 0.000 0.351 165 Q N 0.686 120.502 119.800 0.026 0.000 2.373 165 Q HA 0.109 4.449 4.340 0.000 0.000 0.206 165 Q C -0.406 175.602 176.000 0.013 0.000 0.942 165 Q CA 0.797 56.610 55.803 0.017 0.000 0.953 165 Q CB 0.214 28.962 28.738 0.018 0.000 1.022 165 Q HN 0.214 nan 8.270 nan 0.000 0.502 166 K N 1.299 121.710 120.400 0.017 0.000 2.238 166 K HA 0.466 4.786 4.320 0.000 0.000 0.239 166 K C -1.226 175.367 176.600 -0.011 0.000 0.987 166 K CA -0.543 55.752 56.287 0.013 0.000 0.857 166 K CB 1.661 34.184 32.500 0.038 0.000 1.154 166 K HN 0.219 nan 8.250 nan 0.000 0.439 167 K N -1.377 119.005 120.400 -0.031 0.000 2.562 167 K HA 0.604 4.924 4.320 0.000 0.000 0.267 167 K C -1.707 174.837 176.600 -0.094 0.000 0.938 167 K CA -1.067 55.176 56.287 -0.073 0.000 0.840 167 K CB 1.915 34.378 32.500 -0.062 0.000 1.390 167 K HN 0.226 nan 8.250 nan 0.000 0.428 168 V N 1.635 121.456 119.914 -0.155 0.000 2.483 168 V HA 0.296 4.416 4.120 0.000 0.000 0.297 168 V C -0.735 175.174 176.094 -0.308 0.000 1.027 168 V CA -0.375 61.791 62.300 -0.224 0.000 0.855 168 V CB 1.564 33.251 31.823 -0.227 0.000 0.995 168 V HN 0.889 nan 8.190 nan 0.000 0.424 169 E N 4.166 124.195 120.200 -0.285 0.000 2.374 169 E HA 0.424 4.774 4.350 0.000 0.000 0.260 169 E C -1.588 174.769 176.600 -0.404 0.000 1.101 169 E CA -0.114 56.161 56.400 -0.208 0.000 0.907 169 E CB 1.085 30.719 29.700 -0.110 0.000 1.014 169 E HN 0.582 nan 8.360 nan 0.000 0.427 170 F N 1.021 120.980 119.950 0.014 0.000 2.574 170 F HA 0.301 4.828 4.527 0.000 0.000 0.313 170 F C -0.192 175.631 175.800 0.038 0.000 1.130 170 F CA -0.700 57.313 58.000 0.021 0.000 0.936 170 F CB 1.750 40.756 39.000 0.011 0.000 1.219 170 F HN 0.121 nan 8.300 nan 0.000 0.445 171 K N 4.082 124.637 120.400 0.259 0.000 2.419 171 K HA 0.465 4.785 4.320 0.000 0.000 0.244 171 K C -1.113 175.579 176.600 0.153 0.000 1.045 171 K CA -0.567 55.824 56.287 0.174 0.000 1.004 171 K CB 0.929 33.497 32.500 0.114 0.000 1.376 171 K HN 0.468 nan 8.250 nan 0.000 0.460 172 I N 2.129 122.787 120.570 0.147 0.000 2.498 172 I HA 0.163 4.333 4.170 0.000 0.000 0.301 172 I C -0.771 175.421 176.117 0.125 0.000 0.984 172 I CA -0.404 60.943 61.300 0.078 0.000 1.204 172 I CB 1.407 39.395 38.000 -0.019 0.000 1.362 172 I HN 0.429 nan 8.210 nan 0.000 0.471 173 D N 7.148 127.598 120.400 0.084 0.000 2.217 173 D HA 0.587 5.227 4.640 0.000 0.000 0.243 173 D C -0.885 175.477 176.300 0.102 0.000 1.054 173 D CA 0.275 54.347 54.000 0.119 0.000 0.838 173 D CB 1.358 42.200 40.800 0.069 0.000 1.162 173 D HN 0.244 nan 8.370 nan 0.000 0.472 174 I N 2.088 122.779 120.570 0.201 0.000 2.503 174 I HA 0.207 4.377 4.170 0.000 0.000 0.282 174 I C -1.092 175.132 176.117 0.179 0.000 1.059 174 I CA -0.720 60.679 61.300 0.165 0.000 1.081 174 I CB 1.918 40.020 38.000 0.170 0.000 1.210 174 I HN 0.039 nan 8.210 nan 0.000 0.450 175 V N 7.372 127.343 119.914 0.094 0.000 2.370 175 V HA 0.405 4.525 4.120 0.000 0.000 0.283 175 V C -0.189 175.944 176.094 0.066 0.000 1.023 175 V CA -0.570 61.776 62.300 0.077 0.000 0.857 175 V CB 2.211 34.062 31.823 0.046 0.000 0.985 175 V HN 0.357 nan 8.190 nan 0.000 0.443 176 V N 7.772 127.731 119.914 0.074 0.000 2.334 176 V HA 0.324 4.444 4.120 0.000 0.000 0.267 176 V C 0.280 176.400 176.094 0.043 0.000 1.040 176 V CA -0.277 62.061 62.300 0.063 0.000 0.866 176 V CB 1.170 33.038 31.823 0.075 0.000 1.019 176 V HN 0.693 nan 8.190 nan 0.000 0.468 177 L N 4.670 125.910 121.223 0.028 0.000 2.452 177 L HA 0.674 5.014 4.340 0.000 0.000 0.267 177 L C 0.413 177.280 176.870 -0.005 0.000 1.188 177 L CA 0.156 54.994 54.840 -0.003 0.000 0.821 177 L CB 1.180 43.224 42.059 -0.026 0.000 1.102 177 L HN 0.827 nan 8.230 nan 0.000 0.470 178 A N 3.730 126.533 122.820 -0.030 0.000 1.482 178 A HA 0.252 4.572 4.320 0.000 0.000 0.243 178 A C -0.489 177.149 177.584 0.089 0.000 1.280 178 A CA -0.847 51.207 52.037 0.027 0.000 1.073 178 A CB -0.904 18.139 19.000 0.072 0.000 0.937 178 A HN 0.511 nan 8.150 nan 0.000 0.497 179 F N 0.059 120.033 119.950 0.039 0.000 1.644 179 F HA -0.162 4.365 4.527 0.000 0.000 0.144 179 F C 1.474 177.307 175.800 0.055 0.000 0.376 179 F CA 2.591 60.621 58.000 0.051 0.000 0.550 179 F CB 0.482 39.512 39.000 0.049 0.000 0.746 179 F HN 0.803 nan 8.300 nan 0.000 0.650 180 Q N 1.412 121.392 119.800 0.300 0.000 2.268 180 Q HA 0.325 4.665 4.340 0.000 0.000 0.289 180 Q C -1.048 175.052 176.000 0.166 0.000 0.893 180 Q CA -0.156 55.756 55.803 0.183 0.000 1.057 180 Q CB 0.333 29.162 28.738 0.150 0.000 1.173 180 Q HN 0.433 nan 8.270 nan 0.000 0.449 181 K N -1.615 118.889 120.400 0.173 0.000 2.622 181 K HA 0.640 4.960 4.320 0.000 0.000 0.273 181 K C -1.139 175.507 176.600 0.077 0.000 0.957 181 K CA 0.325 56.681 56.287 0.114 0.000 0.861 181 K CB 0.493 33.064 32.500 0.118 0.000 1.405 181 K HN -0.027 nan 8.250 nan 0.000 0.406 182 A N 1.042 123.889 122.820 0.045 0.000 2.054 182 A HA 0.309 4.629 4.320 0.000 0.000 0.221 182 A C -0.020 177.550 177.584 -0.023 0.000 1.587 182 A CA 0.830 52.875 52.037 0.013 0.000 0.664 182 A CB -0.237 18.771 19.000 0.015 0.000 1.248 182 A HN 0.454 nan 8.150 nan 0.000 0.527 183 S N 0.861 116.553 115.700 -0.013 0.000 2.520 183 S HA 0.541 5.011 4.470 0.000 0.000 0.324 183 S C -0.530 174.068 174.600 -0.004 0.000 1.069 183 S CA -0.568 57.614 58.200 -0.031 0.000 1.121 183 S CB 0.261 63.442 63.200 -0.032 0.000 0.971 183 S HN 0.404 nan 8.310 nan 0.000 0.463 184 S N 4.617 120.324 115.700 0.012 0.000 2.584 184 S HA 0.603 5.073 4.470 0.000 0.000 0.273 184 S C -0.290 174.325 174.600 0.026 0.000 1.311 184 S CA -0.563 57.673 58.200 0.060 0.000 1.034 184 S CB 0.650 63.943 63.200 0.154 0.000 0.939 184 S HN 0.734 nan 8.310 nan 0.000 0.513 185 I N 1.970 122.537 120.570 -0.005 0.000 2.656 185 I HA 0.375 4.545 4.170 0.000 0.000 0.292 185 I C -1.441 174.564 176.117 -0.187 0.000 1.144 185 I CA -0.670 60.559 61.300 -0.119 0.000 1.038 185 I CB 2.119 39.983 38.000 -0.227 0.000 1.244 185 I HN 0.310 nan 8.210 nan 0.000 0.420 186 V N 6.417 126.226 119.914 -0.175 0.000 2.531 186 V HA 0.403 4.523 4.120 0.000 0.000 0.301 186 V C -1.329 174.662 176.094 -0.172 0.000 1.034 186 V CA -0.684 61.532 62.300 -0.139 0.000 0.865 186 V CB 1.770 33.561 31.823 -0.055 0.000 0.995 186 V HN 0.407 nan 8.190 nan 0.000 0.424 187 Y N 4.356 124.701 120.300 0.074 0.000 2.342 187 Y HA 0.702 5.252 4.550 0.000 0.000 0.338 187 Y C 0.413 176.343 175.900 0.051 0.000 0.965 187 Y CA -0.613 57.533 58.100 0.076 0.000 1.159 187 Y CB 1.240 39.737 38.460 0.063 0.000 1.157 187 Y HN 0.457 nan 8.280 nan 0.000 0.486 188 K N 1.698 122.215 120.400 0.196 0.000 2.283 188 K HA 0.905 5.225 4.320 0.000 0.000 0.257 188 K C -0.764 175.907 176.600 0.119 0.000 1.066 188 K CA -1.130 55.224 56.287 0.112 0.000 0.891 188 K CB 1.425 33.949 32.500 0.040 0.000 1.438 188 K HN 0.398 nan 8.250 nan 0.000 0.464 189 K N 0.543 120.990 120.400 0.077 0.000 2.422 189 K HA 0.262 4.582 4.320 0.000 0.000 0.251 189 K C -0.432 176.200 176.600 0.053 0.000 0.933 189 K CA -0.712 55.625 56.287 0.084 0.000 0.798 189 K CB 1.247 33.790 32.500 0.072 0.000 1.238 189 K HN 0.681 nan 8.250 nan 0.000 0.428 190 E N 0.782 121.024 120.200 0.070 0.000 3.355 190 E HA -0.064 4.286 4.350 0.000 0.000 0.234 190 E C 1.023 177.622 176.600 -0.003 0.000 0.952 190 E CA 1.999 58.418 56.400 0.033 0.000 0.928 190 E CB -1.110 28.628 29.700 0.064 0.000 0.873 190 E HN 1.126 nan 8.360 nan 0.000 0.525 191 G N 3.758 112.534 108.800 -0.040 0.000 3.736 191 G HA2 -0.230 3.730 3.960 0.000 0.000 0.196 191 G HA3 -0.230 3.730 3.960 0.000 0.000 0.196 191 G C -0.453 174.412 174.900 -0.059 0.000 1.811 191 G CA -0.242 44.829 45.100 -0.049 0.000 1.175 191 G HN 0.513 nan 8.290 nan 0.000 0.429 192 E N 2.507 122.684 120.200 -0.038 0.000 2.820 192 E HA 0.101 4.451 4.350 0.000 0.000 0.251 192 E C 0.534 177.088 176.600 -0.076 0.000 0.944 192 E CA 0.284 56.658 56.400 -0.044 0.000 0.955 192 E CB 0.405 30.092 29.700 -0.022 0.000 0.904 192 E HN 0.459 nan 8.360 nan 0.000 0.513 193 Q N 3.702 123.453 119.800 -0.081 0.000 2.276 193 Q HA 0.029 4.369 4.340 0.000 0.000 0.267 193 Q C -0.761 175.162 176.000 -0.128 0.000 1.135 193 Q CA -0.262 55.480 55.803 -0.101 0.000 0.910 193 Q CB 0.468 29.157 28.738 -0.081 0.000 1.271 193 Q HN 0.311 nan 8.270 nan 0.000 0.417 194 V N 4.157 123.969 119.914 -0.171 0.000 2.686 194 V HA 0.260 4.380 4.120 0.000 0.000 0.295 194 V C 0.371 176.254 176.094 -0.351 0.000 1.055 194 V CA 0.008 62.137 62.300 -0.285 0.000 1.050 194 V CB 1.377 32.984 31.823 -0.361 0.000 0.984 194 V HN 0.746 nan 8.190 nan 0.000 0.482 195 E N 1.780 121.705 120.200 -0.459 0.000 2.343 195 E HA 0.631 4.981 4.350 0.000 0.000 0.270 195 E C -1.932 174.346 176.600 -0.536 0.000 0.895 195 E CA -0.490 55.699 56.400 -0.352 0.000 0.767 195 E CB 2.481 32.071 29.700 -0.184 0.000 1.248 195 E HN 0.470 nan 8.360 nan 0.000 0.440 196 F N 0.001 119.922 119.950 -0.050 0.000 2.613 196 F HA 0.491 5.018 4.527 0.000 0.000 0.314 196 F C 0.039 175.579 175.800 -0.434 0.000 1.075 196 F CA -0.633 57.263 58.000 -0.174 0.000 0.945 196 F CB 2.381 41.321 39.000 -0.100 0.000 1.310 196 F HN 0.157 nan 8.300 nan 0.000 0.467 197 S N 1.449 116.872 115.700 -0.461 0.000 2.592 197 S HA 0.728 5.198 4.470 0.000 0.000 0.275 197 S C -1.941 172.320 174.600 -0.564 0.000 1.169 197 S CA -0.528 57.319 58.200 -0.589 0.000 0.958 197 S CB 0.398 63.528 63.200 -0.117 0.000 1.095 197 S HN 0.410 nan 8.310 nan 0.000 0.471 198 F N 4.144 124.120 119.950 0.043 0.000 2.553 198 F HA 0.575 5.102 4.527 0.000 0.000 0.335 198 F C -2.354 173.551 175.800 0.176 0.000 1.148 198 F CA -1.737 56.294 58.000 0.051 0.000 0.963 198 F CB 1.278 40.183 39.000 -0.158 0.000 1.217 198 F HN 0.233 nan 8.300 nan 0.000 0.441 199 P HA 0.552 nan 4.420 nan 0.000 0.285 199 P C -0.625 176.800 177.300 0.208 0.000 1.285 199 P CA -0.399 62.814 63.100 0.189 0.000 0.854 199 P CB 2.846 34.608 31.700 0.104 0.000 1.180 200 L N -0.014 121.224 121.223 0.025 0.000 2.741 200 L HA 0.702 5.042 4.340 0.000 0.000 0.217 200 L C 0.292 177.140 176.870 -0.037 0.000 1.579 200 L CA -0.439 54.354 54.840 -0.079 0.000 2.792 200 L CB -0.081 41.868 42.059 -0.183 0.000 2.589 200 L HN 0.453 nan 8.230 nan 0.000 0.856 201 A N -1.217 121.577 122.820 -0.043 0.000 3.134 201 A HA 0.360 4.680 4.320 0.000 0.000 0.237 201 A C -0.294 177.385 177.584 0.158 0.000 1.233 201 A CA -0.562 51.521 52.037 0.078 0.000 1.112 201 A CB -0.501 18.543 19.000 0.072 0.000 1.365 201 A HN 0.515 nan 8.150 nan 0.000 0.796 202 F N 0.677 120.630 119.950 0.005 0.000 2.454 202 F HA -0.414 4.113 4.527 0.000 0.000 0.636 202 F C 1.680 177.482 175.800 0.003 0.000 0.602 202 F CA 3.453 61.457 58.000 0.006 0.000 1.049 202 F CB -1.925 37.082 39.000 0.012 0.000 1.471 202 F HN 1.557 nan 8.300 nan 0.000 0.254 203 T N -1.964 112.705 114.554 0.191 0.000 0.542 203 T HA 0.069 4.420 4.350 0.000 0.000 0.774 203 T C -0.425 174.335 174.700 0.100 0.000 0.992 203 T CA 0.173 62.346 62.100 0.123 0.000 4.077 203 T CB -1.089 67.836 68.868 0.094 0.000 2.303 203 T HN 1.050 nan 8.240 nan 0.000 0.398 204 V N 0.863 120.829 119.914 0.088 0.000 3.165 204 V HA 1.066 5.186 4.120 0.000 0.000 0.307 204 V C 0.098 176.224 176.094 0.054 0.000 1.281 204 V CA 0.104 62.441 62.300 0.060 0.000 1.056 204 V CB 1.626 33.483 31.823 0.057 0.000 1.178 204 V HN 1.711 nan 8.190 nan 0.000 0.475 205 E N -0.472 119.749 120.200 0.034 0.000 5.961 205 E HA 0.052 4.402 4.350 0.000 0.000 0.549 205 E C -1.249 175.345 176.600 -0.010 0.000 1.277 205 E CA -0.296 56.119 56.400 0.024 0.000 3.012 205 E CB -0.142 29.554 29.700 -0.006 0.000 0.791 205 E HN 0.570 nan 8.360 nan 0.000 0.266 206 K N 1.064 121.457 120.400 -0.012 0.000 2.774 206 K HA 0.408 4.728 4.320 0.000 0.000 0.297 206 K C 0.035 176.610 176.600 -0.042 0.000 1.044 206 K CA 0.055 56.330 56.287 -0.020 0.000 1.011 206 K CB -0.154 32.339 32.500 -0.012 0.000 1.214 206 K HN 0.499 nan 8.250 nan 0.000 0.477 207 L N 2.357 123.558 121.223 -0.038 0.000 3.027 207 L HA -0.130 4.210 4.340 0.000 0.000 0.300 207 L C 0.583 177.411 176.870 -0.071 0.000 0.991 207 L CA 0.206 55.017 54.840 -0.047 0.000 1.110 207 L CB -1.325 40.712 42.059 -0.036 0.000 1.587 207 L HN 0.695 nan 8.230 nan 0.000 0.419 208 T N -1.677 112.822 114.554 -0.091 0.000 3.043 208 T HA 0.447 4.797 4.350 0.000 0.000 0.272 208 T C 0.667 175.279 174.700 -0.148 0.000 0.990 208 T CA 0.152 62.176 62.100 -0.127 0.000 0.897 208 T CB 1.092 69.861 68.868 -0.165 0.000 1.111 208 T HN 0.706 nan 8.240 nan 0.000 0.529 209 G N 0.832 109.543 108.800 -0.148 0.000 2.616 209 G HA2 0.540 4.500 3.960 0.000 0.000 0.294 209 G HA3 0.540 4.500 3.960 0.000 0.000 0.294 209 G C -1.389 173.374 174.900 -0.229 0.000 1.489 209 G CA -0.257 44.733 45.100 -0.183 0.000 0.836 209 G HN 0.850 nan 8.290 nan 0.000 0.527 210 S N -0.802 114.757 115.700 -0.234 0.000 2.678 210 S HA 0.885 5.355 4.470 0.000 0.000 0.290 210 S C -0.100 174.422 174.600 -0.130 0.000 1.047 210 S CA 0.145 58.184 58.200 -0.269 0.000 0.851 210 S CB 1.330 64.433 63.200 -0.162 0.000 1.058 210 S HN 2.445 nan 8.310 nan 0.000 0.451 211 G N 0.871 109.660 108.800 -0.017 0.000 2.694 211 G HA2 0.818 4.778 3.960 0.000 0.000 0.246 211 G HA3 0.818 4.778 3.960 0.000 0.000 0.246 211 G C -1.620 173.515 174.900 0.391 0.000 1.205 211 G CA -0.048 45.155 45.100 0.171 0.000 0.891 211 G HN 1.431 nan 8.290 nan 0.000 0.515 212 E N -1.862 118.540 120.200 0.336 0.000 2.422 212 E HA 0.543 4.893 4.350 0.000 0.000 0.280 212 E C -2.078 174.629 176.600 0.178 0.000 1.091 212 E CA -0.947 55.567 56.400 0.191 0.000 0.849 212 E CB 1.707 31.416 29.700 0.014 0.000 1.353 212 E HN 0.813 nan 8.360 nan 0.000 0.449 213 L N 0.986 122.255 121.223 0.078 0.000 2.317 213 L HA 0.665 5.005 4.340 0.000 0.000 0.281 213 L C -1.719 175.378 176.870 0.378 0.000 1.024 213 L CA -0.129 54.799 54.840 0.146 0.000 0.810 213 L CB 0.782 42.820 42.059 -0.035 0.000 1.240 213 L HN 0.590 nan 8.230 nan 0.000 0.427 214 W N 4.749 126.099 121.300 0.083 0.000 2.666 214 W HA 0.506 5.166 4.660 -0.000 0.000 0.334 214 W C -0.919 175.742 176.519 0.236 0.000 1.051 214 W CA -0.767 56.788 57.345 0.351 0.000 1.224 214 W CB 1.144 30.763 29.460 0.264 0.000 1.405 214 W HN 0.429 nan 8.180 nan 0.000 0.513 215 W N 3.225 124.712 121.300 0.311 0.000 2.883 215 W HA 0.417 5.077 4.660 -0.000 0.000 0.335 215 W C -1.091 175.470 176.519 0.071 0.000 1.083 215 W CA -1.270 56.147 57.345 0.120 0.000 1.233 215 W CB 2.014 31.488 29.460 0.025 0.000 1.412 215 W HN 0.448 nan 8.180 nan 0.000 0.490 216 Q N 4.132 124.106 119.800 0.290 0.000 2.506 216 Q HA 0.578 4.918 4.340 0.000 0.000 0.242 216 Q C 0.221 176.495 176.000 0.457 0.000 1.060 216 Q CA -0.560 55.407 55.803 0.273 0.000 0.826 216 Q CB 1.319 30.123 28.738 0.111 0.000 1.169 216 Q HN 0.365 nan 8.270 nan 0.000 0.521 217 A N 2.288 125.369 122.820 0.436 0.000 2.445 217 A HA 0.067 4.387 4.320 0.000 0.000 0.242 217 A C 0.107 177.796 177.584 0.176 0.000 1.075 217 A CA -0.309 51.883 52.037 0.257 0.000 0.777 217 A CB 0.319 19.279 19.000 -0.066 0.000 1.013 217 A HN 0.770 nan 8.150 nan 0.000 0.493 218 E N 0.883 121.191 120.200 0.180 0.000 2.366 218 E HA 0.238 4.588 4.350 0.000 0.000 0.266 218 E C 0.621 177.281 176.600 0.100 0.000 1.015 218 E CA 0.153 56.650 56.400 0.162 0.000 0.906 218 E CB 0.075 29.911 29.700 0.228 0.000 0.979 218 E HN 0.713 nan 8.360 nan 0.000 0.443 219 R N 2.030 122.588 120.500 0.096 0.000 2.299 219 R HA -0.286 4.054 4.340 0.000 0.000 0.153 219 R C 0.420 176.734 176.300 0.024 0.000 0.885 219 R CA 1.715 57.855 56.100 0.066 0.000 1.883 219 R CB -1.854 28.495 30.300 0.082 0.000 0.864 219 R HN 0.575 nan 8.270 nan 0.000 0.666 220 A N 1.071 123.886 122.820 -0.009 0.000 3.017 220 A HA 0.224 4.544 4.320 0.000 0.000 0.283 220 A C 1.182 178.746 177.584 -0.033 0.000 1.892 220 A CA 0.986 52.993 52.037 -0.050 0.000 1.469 220 A CB -0.041 18.891 19.000 -0.112 0.000 0.999 220 A HN 0.372 nan 8.150 nan 0.000 0.605 221 S N 1.320 117.010 115.700 -0.016 0.000 2.493 221 S HA -0.086 4.384 4.470 0.000 0.000 0.243 221 S C 1.284 175.861 174.600 -0.039 0.000 0.991 221 S CA 1.009 59.206 58.200 -0.006 0.000 0.957 221 S CB -0.421 62.779 63.200 0.000 0.000 0.756 221 S HN 0.755 nan 8.310 nan 0.000 0.521 222 S N 2.257 117.913 115.700 -0.072 0.000 3.772 222 S HA 0.104 4.574 4.470 0.000 0.000 0.191 222 S C 0.492 174.993 174.600 -0.165 0.000 1.060 222 S CA -0.259 57.871 58.200 -0.118 0.000 1.051 222 S CB -0.271 62.848 63.200 -0.134 0.000 1.578 222 S HN 0.308 nan 8.310 nan 0.000 0.481 223 S N 1.379 116.986 115.700 -0.154 0.000 2.598 223 S HA 0.422 4.892 4.470 0.000 0.000 0.267 223 S C 0.983 175.286 174.600 -0.494 0.000 1.189 223 S CA -0.775 57.290 58.200 -0.225 0.000 1.010 223 S CB 0.275 63.432 63.200 -0.071 0.000 1.084 223 S HN 0.667 nan 8.310 nan 0.000 0.541 224 K N -0.773 119.075 120.400 -0.921 0.000 3.512 224 K HA -0.118 4.202 4.320 0.000 0.000 0.309 224 K C -0.616 174.578 176.600 -2.344 0.000 1.350 224 K CA 0.645 55.802 56.287 -1.883 0.000 0.960 224 K CB -1.942 30.130 32.500 -0.715 0.000 1.290 224 K HN 0.511 nan 8.250 nan 0.000 0.454 225 S N 0.566 115.428 115.700 -1.398 0.000 2.523 225 S HA 0.579 5.049 4.470 0.000 0.000 0.275 225 S C -0.204 173.992 174.600 -0.674 0.000 1.281 225 S CA -0.207 57.478 58.200 -0.858 0.000 1.050 225 S CB 0.262 63.210 63.200 -0.419 0.000 0.937 225 S HN 0.383 nan 8.310 nan 0.000 0.492 226 W N 0.645 121.857 121.300 -0.147 0.000 2.733 226 W HA 0.721 5.381 4.660 -0.000 0.000 0.441 226 W C -1.641 174.815 176.519 -0.104 0.000 1.036 226 W CA -1.201 56.055 57.345 -0.149 0.000 1.208 226 W CB 0.521 29.782 29.460 -0.332 0.000 1.454 226 W HN 0.620 nan 8.180 nan 0.000 0.610 227 I N 1.400 122.099 120.570 0.216 0.000 2.644 227 I HA 0.660 4.830 4.170 0.000 0.000 0.291 227 I C -1.207 174.934 176.117 0.040 0.000 1.180 227 I CA -0.535 60.822 61.300 0.095 0.000 1.040 227 I CB 2.165 40.192 38.000 0.045 0.000 1.255 227 I HN 0.514 nan 8.210 nan 0.000 0.422 228 T N 6.510 121.107 114.554 0.071 0.000 2.829 228 T HA 0.690 5.040 4.350 0.000 0.000 0.280 228 T C -0.763 174.094 174.700 0.262 0.000 0.999 228 T CA -0.463 61.711 62.100 0.122 0.000 0.983 228 T CB 1.321 70.225 68.868 0.061 0.000 0.968 228 T HN 0.409 nan 8.240 nan 0.000 0.446 229 F N -0.251 119.712 119.950 0.020 0.000 2.578 229 F HA 0.848 5.375 4.527 0.000 0.000 0.311 229 F C -1.347 174.462 175.800 0.015 0.000 1.094 229 F CA -2.317 55.700 58.000 0.028 0.000 0.923 229 F CB 1.004 40.035 39.000 0.052 0.000 1.230 229 F HN 0.451 nan 8.300 nan 0.000 0.450 230 D N 2.178 122.548 120.400 -0.049 0.000 2.248 230 D HA 0.736 5.376 4.640 0.000 0.000 0.246 230 D C -1.467 174.712 176.300 -0.203 0.000 1.027 230 D CA -0.140 53.765 54.000 -0.159 0.000 0.853 230 D CB 1.883 42.649 40.800 -0.057 0.000 1.243 230 D HN 0.593 nan 8.370 nan 0.000 0.462 231 L N 2.379 123.453 121.223 -0.248 0.000 2.354 231 L HA 0.634 4.974 4.340 0.000 0.000 0.264 231 L C -0.984 175.808 176.870 -0.129 0.000 1.008 231 L CA -0.594 54.127 54.840 -0.198 0.000 0.819 231 L CB 2.014 43.907 42.059 -0.277 0.000 1.339 231 L HN 0.332 nan 8.230 nan 0.000 0.420 232 K N 1.775 122.123 120.400 -0.086 0.000 2.587 232 K HA 0.422 4.742 4.320 0.000 0.000 0.256 232 K C -0.541 176.035 176.600 -0.040 0.000 0.974 232 K CA -0.860 55.390 56.287 -0.061 0.000 0.855 232 K CB 1.675 34.150 32.500 -0.041 0.000 1.292 232 K HN 0.775 nan 8.250 nan 0.000 0.444 233 N N 1.021 119.701 118.700 -0.033 0.000 1.352 233 N HA -0.332 4.408 4.740 0.000 0.000 0.096 233 N C -0.959 174.547 175.510 -0.007 0.000 0.792 233 N CA 0.990 54.035 53.050 -0.007 0.000 0.831 233 N CB -0.241 38.252 38.487 0.011 0.000 0.865 233 N HN 0.591 nan 8.380 nan 0.000 0.716 234 K N 1.179 121.591 120.400 0.021 0.000 2.715 234 K HA 0.140 4.460 4.320 0.000 0.000 0.248 234 K C -0.596 176.015 176.600 0.019 0.000 1.276 234 K CA 0.513 56.812 56.287 0.021 0.000 1.209 234 K CB -0.798 31.740 32.500 0.062 0.000 1.509 234 K HN 0.408 nan 8.250 nan 0.000 0.261 235 E N 0.347 120.549 120.200 0.003 0.000 2.291 235 E HA 0.279 4.629 4.350 0.000 0.000 0.276 235 E C -1.461 175.137 176.600 -0.003 0.000 0.896 235 E CA -0.568 55.837 56.400 0.009 0.000 0.774 235 E CB 2.057 31.761 29.700 0.006 0.000 1.227 235 E HN -0.028 nan 8.360 nan 0.000 0.413 236 V N 1.368 121.297 119.914 0.025 0.000 2.962 236 V HA 0.812 4.932 4.120 0.000 0.000 0.313 236 V C -0.861 175.279 176.094 0.077 0.000 1.099 236 V CA -0.838 61.487 62.300 0.043 0.000 0.971 236 V CB 2.186 34.078 31.823 0.116 0.000 1.028 236 V HN 0.766 nan 8.190 nan 0.000 0.430 237 S N 0.445 116.206 115.700 0.101 0.000 2.556 237 S HA 0.444 4.914 4.470 0.000 0.000 0.280 237 S C -0.903 173.789 174.600 0.154 0.000 1.141 237 S CA -0.641 57.624 58.200 0.108 0.000 0.883 237 S CB 1.391 64.627 63.200 0.060 0.000 1.103 237 S HN 1.470 nan 8.310 nan 0.000 0.453 238 V N 1.931 121.936 119.914 0.153 0.000 2.479 238 V HA 0.592 4.712 4.120 0.000 0.000 0.281 238 V C 1.250 177.413 176.094 0.115 0.000 1.031 238 V CA 1.107 63.505 62.300 0.162 0.000 1.038 238 V CB 0.140 32.034 31.823 0.120 0.000 0.981 238 V HN 1.247 nan 8.190 nan 0.000 0.478 239 K N 4.173 124.647 120.400 0.123 0.000 2.009 239 K HA 0.319 4.639 4.320 0.000 0.000 0.210 239 K C 1.238 177.875 176.600 0.062 0.000 1.049 239 K CA 2.878 59.211 56.287 0.076 0.000 0.929 239 K CB -0.708 31.835 32.500 0.072 0.000 0.714 239 K HN 1.955 nan 8.250 nan 0.000 0.440 240 R N -3.802 116.740 120.500 0.070 0.000 3.135 240 R HA 0.522 4.862 4.340 0.000 0.000 0.276 240 R C 0.125 176.465 176.300 0.067 0.000 0.925 240 R CA 0.031 56.166 56.100 0.057 0.000 0.809 240 R CB -0.798 29.528 30.300 0.044 0.000 1.511 240 R HN 1.405 nan 8.270 nan 0.000 0.486 241 V N -1.426 118.524 119.914 0.061 0.000 3.659 241 V HA 0.099 4.219 4.120 0.000 0.000 0.522 241 V C 1.146 177.280 176.094 0.066 0.000 0.682 241 V CA 1.442 63.788 62.300 0.077 0.000 2.079 241 V CB -1.574 30.327 31.823 0.131 0.000 2.491 241 V HN 2.531 nan 8.190 nan 0.000 0.514 242 T N -2.278 112.311 114.554 0.059 0.000 8.941 242 T HA -0.064 4.286 4.350 0.000 0.000 0.275 242 T C 0.047 174.750 174.700 0.004 0.000 1.337 242 T CA 1.079 63.204 62.100 0.042 0.000 1.946 242 T CB -0.782 68.110 68.868 0.040 0.000 2.019 242 T HN 1.850 nan 8.240 nan 0.000 0.186 243 Q N 1.169 120.968 119.800 -0.002 0.000 0.766 243 Q HA -0.313 4.027 4.340 0.000 0.000 0.364 243 Q C 0.272 176.245 176.000 -0.045 0.000 1.063 243 Q CA 2.223 58.010 55.803 -0.027 0.000 0.399 243 Q CB -0.890 27.820 28.738 -0.048 0.000 5.348 243 Q HN 0.859 nan 8.270 nan 0.000 0.398 244 D N -0.957 119.400 120.400 -0.072 0.000 4.072 244 D HA -0.206 4.434 4.640 0.000 0.000 0.146 244 D C -2.002 174.277 176.300 -0.036 0.000 0.777 244 D CA 2.210 56.147 54.000 -0.105 0.000 1.099 244 D CB -1.797 38.895 40.800 -0.181 0.000 0.497 244 D HN 0.595 nan 8.370 nan 0.000 0.483 245 P HA 0.264 nan 4.420 nan 0.000 0.279 245 P C -0.435 176.907 177.300 0.070 0.000 1.276 245 P CA -0.267 62.920 63.100 0.145 0.000 0.801 245 P CB 0.531 32.488 31.700 0.428 0.000 1.127 246 K N 0.574 121.007 120.400 0.054 0.000 3.165 246 K HA 0.164 4.484 4.320 0.000 0.000 0.270 246 K C -0.009 176.615 176.600 0.039 0.000 1.111 246 K CA -0.049 56.256 56.287 0.029 0.000 1.216 246 K CB -1.847 30.657 32.500 0.006 0.000 1.229 246 K HN 0.314 nan 8.250 nan 0.000 0.435 247 L N 1.273 122.533 121.223 0.062 0.000 2.584 247 L HA 0.043 4.383 4.340 0.000 0.000 0.272 247 L C 0.415 177.330 176.870 0.075 0.000 1.195 247 L CA 0.410 55.300 54.840 0.084 0.000 0.920 247 L CB -0.065 42.059 42.059 0.109 0.000 1.173 247 L HN 0.263 nan 8.230 nan 0.000 0.489 248 Q N 3.183 123.029 119.800 0.077 0.000 2.266 248 Q HA 0.660 5.000 4.340 0.000 0.000 0.261 248 Q C -0.776 175.281 176.000 0.095 0.000 0.985 248 Q CA -0.660 55.187 55.803 0.072 0.000 0.873 248 Q CB 2.980 31.750 28.738 0.053 0.000 1.306 248 Q HN 0.617 nan 8.270 nan 0.000 0.447 249 M N 0.135 119.792 119.600 0.095 0.000 2.644 249 M HA 0.599 5.079 4.480 0.000 0.000 0.304 249 M C -0.386 175.987 176.300 0.122 0.000 1.215 249 M CA -0.497 54.873 55.300 0.116 0.000 0.871 249 M CB 1.882 34.549 32.600 0.112 0.000 1.740 249 M HN 0.715 nan 8.290 nan 0.000 0.464 250 G N 1.304 110.191 108.800 0.145 0.000 2.537 250 G HA2 0.272 4.232 3.960 0.000 0.000 0.273 250 G HA3 0.272 4.232 3.960 0.000 0.000 0.273 250 G C -0.101 174.872 174.900 0.121 0.000 1.189 250 G CA -0.390 44.795 45.100 0.141 0.000 0.881 250 G HN 0.880 nan 8.290 nan 0.000 0.535 251 K N -0.724 119.736 120.400 0.100 0.000 2.356 251 K HA 0.083 4.403 4.320 0.000 0.000 0.195 251 K C 0.440 177.084 176.600 0.072 0.000 1.037 251 K CA 0.504 56.839 56.287 0.081 0.000 1.014 251 K CB 0.134 32.673 32.500 0.065 0.000 0.815 251 K HN 0.318 nan 8.250 nan 0.000 0.507 252 K N 1.248 121.695 120.400 0.079 0.000 2.182 252 K HA 0.207 4.527 4.320 0.000 0.000 0.262 252 K C 0.793 177.408 176.600 0.025 0.000 0.957 252 K CA -0.401 55.921 56.287 0.058 0.000 0.842 252 K CB 1.678 34.223 32.500 0.076 0.000 1.099 252 K HN -0.146 nan 8.250 nan 0.000 0.438 253 L N 1.866 123.084 121.223 -0.007 0.000 2.198 253 L HA -0.194 4.146 4.340 0.000 0.000 0.218 253 L C -0.925 175.889 176.870 -0.094 0.000 1.084 253 L CA 1.863 56.668 54.840 -0.059 0.000 0.779 253 L CB -1.135 40.849 42.059 -0.126 0.000 0.890 253 L HN 0.538 nan 8.230 nan 0.000 0.439 254 P HA 0.135 nan 4.420 nan 0.000 0.235 254 P C -0.325 176.728 177.300 -0.413 0.000 1.725 254 P CA -0.420 62.559 63.100 -0.201 0.000 0.894 254 P CB -0.104 31.513 31.700 -0.137 0.000 1.704 255 L N 0.602 121.703 121.223 -0.204 0.000 4.422 255 L HA -0.231 4.109 4.340 0.000 0.000 0.545 255 L C 0.240 176.829 176.870 -0.468 0.000 1.042 255 L CA 1.590 56.339 54.840 -0.153 0.000 0.533 255 L CB -1.247 40.928 42.059 0.193 0.000 0.674 255 L HN 0.433 nan 8.230 nan 0.000 1.072 256 H N 2.906 121.981 119.070 0.009 0.000 2.953 256 H HA 0.371 4.927 4.556 0.000 0.000 0.290 256 H C -0.217 175.130 175.328 0.030 0.000 1.113 256 H CA -0.805 55.216 56.048 -0.044 0.000 1.454 256 H CB 1.103 30.853 29.762 -0.019 0.000 1.525 256 H HN 0.467 nan 8.280 nan 0.000 0.505 257 L N 4.369 125.681 121.223 0.147 0.000 2.485 257 L HA 0.139 4.479 4.340 0.000 0.000 0.279 257 L C 0.027 177.128 176.870 0.384 0.000 1.124 257 L CA 0.182 55.198 54.840 0.293 0.000 0.888 257 L CB -0.162 42.130 42.059 0.389 0.000 1.217 257 L HN 0.661 nan 8.230 nan 0.000 0.464 258 T N 2.803 117.495 114.554 0.231 0.000 2.837 258 T HA 0.451 4.801 4.350 0.000 0.000 0.285 258 T C -0.285 174.493 174.700 0.130 0.000 0.984 258 T CA -0.715 61.465 62.100 0.134 0.000 1.049 258 T CB 2.053 70.958 68.868 0.062 0.000 0.947 258 T HN 0.528 nan 8.240 nan 0.000 0.472 259 L N 5.287 126.538 121.223 0.048 0.000 2.324 259 L HA 0.379 4.719 4.340 0.000 0.000 0.274 259 L C -1.921 174.904 176.870 -0.076 0.000 1.012 259 L CA -2.400 52.451 54.840 0.019 0.000 0.859 259 L CB 1.900 43.975 42.059 0.025 0.000 1.224 259 L HN 0.493 nan 8.230 nan 0.000 0.429 260 P HA -0.198 nan 4.420 nan 0.000 0.212 260 P C -0.845 176.372 177.300 -0.138 0.000 0.907 260 P CA 1.260 64.305 63.100 -0.092 0.000 0.993 260 P CB 0.138 31.790 31.700 -0.080 0.000 0.646 261 Q N -0.523 119.164 119.800 -0.188 0.000 2.271 261 Q HA 0.603 4.943 4.340 0.000 0.000 0.258 261 Q C -0.700 175.127 176.000 -0.289 0.000 0.936 261 Q CA -1.029 54.657 55.803 -0.196 0.000 0.909 261 Q CB 1.222 29.860 28.738 -0.166 0.000 1.253 261 Q HN 0.079 nan 8.270 nan 0.000 0.440 262 A N 5.537 128.235 122.820 -0.203 0.000 2.993 262 A HA 0.195 4.515 4.320 0.000 0.000 0.281 262 A C 0.077 177.544 177.584 -0.196 0.000 1.847 262 A CA -0.264 51.660 52.037 -0.189 0.000 1.470 262 A CB -0.812 18.144 19.000 -0.074 0.000 1.028 262 A HN 0.733 nan 8.150 nan 0.000 0.604 263 L N 2.092 123.081 121.223 -0.390 0.000 2.436 263 L HA 0.185 4.525 4.340 0.000 0.000 0.265 263 L C -1.292 175.540 176.870 -0.063 0.000 1.168 263 L CA -1.912 52.782 54.840 -0.244 0.000 0.815 263 L CB 0.636 42.494 42.059 -0.336 0.000 1.109 263 L HN 0.307 nan 8.230 nan 0.000 0.462 264 P HA -0.215 nan 4.420 nan 0.000 0.216 264 P C 1.152 178.288 177.300 -0.274 0.000 1.150 264 P CA 1.028 63.997 63.100 -0.217 0.000 0.843 264 P CB 0.048 31.478 31.700 -0.450 0.000 0.787 265 Q N -1.510 118.211 119.800 -0.132 0.000 2.436 265 Q HA -0.131 4.209 4.340 0.000 0.000 0.209 265 Q C 0.408 176.286 176.000 -0.204 0.000 0.965 265 Q CA 1.257 56.931 55.803 -0.214 0.000 0.910 265 Q CB -0.992 27.588 28.738 -0.264 0.000 0.980 265 Q HN 0.346 nan 8.270 nan 0.000 0.491 266 Y N 1.393 121.554 120.300 -0.231 0.000 2.676 266 Y HA 0.517 5.067 4.550 0.000 0.000 0.331 266 Y C 0.629 176.448 175.900 -0.135 0.000 1.128 266 Y CA -0.566 57.344 58.100 -0.316 0.000 1.360 266 Y CB -0.231 38.052 38.460 -0.296 0.000 1.176 266 Y HN 0.145 nan 8.280 nan 0.000 0.518 267 A N -0.092 122.833 122.820 0.175 0.000 2.317 267 A HA 0.898 5.218 4.320 0.000 0.000 0.327 267 A C 0.572 178.468 177.584 0.519 0.000 1.178 267 A CA 0.196 52.467 52.037 0.389 0.000 0.817 267 A CB 0.723 19.927 19.000 0.340 0.000 1.189 267 A HN 0.487 nan 8.150 nan 0.000 0.489 268 G N 0.115 109.299 108.800 0.641 0.000 2.345 268 G HA2 0.450 4.410 3.960 0.000 0.000 0.285 268 G HA3 0.450 4.410 3.960 0.000 0.000 0.285 268 G C -0.446 174.453 174.900 -0.002 0.000 1.297 268 G CA -0.054 45.306 45.100 0.433 0.000 0.875 268 G HN 1.065 nan 8.290 nan 0.000 0.506 269 S N -1.400 114.154 115.700 -0.243 0.000 2.713 269 S HA 0.906 5.376 4.470 0.000 0.000 0.277 269 S C 0.380 174.430 174.600 -0.917 0.000 1.168 269 S CA 0.192 58.112 58.200 -0.468 0.000 0.994 269 S CB 1.411 64.478 63.200 -0.221 0.000 1.054 269 S HN 2.059 nan 8.310 nan 0.000 0.555 270 G N 0.549 108.956 108.800 -0.655 0.000 2.596 270 G HA2 0.481 4.441 3.960 0.000 0.000 0.296 270 G HA3 0.481 4.441 3.960 0.000 0.000 0.296 270 G C -2.294 172.393 174.900 -0.355 0.000 1.513 270 G CA -0.953 43.802 45.100 -0.575 0.000 0.851 270 G HN 0.495 nan 8.290 nan 0.000 0.548 271 N N -0.086 118.490 118.700 -0.206 0.000 2.354 271 N HA 0.541 5.281 4.740 0.000 0.000 0.287 271 N C -0.989 174.396 175.510 -0.208 0.000 1.016 271 N CA -0.529 52.393 53.050 -0.213 0.000 0.871 271 N CB 2.574 40.950 38.487 -0.184 0.000 1.299 271 N HN 0.499 nan 8.380 nan 0.000 0.482 272 L N 2.116 123.124 121.223 -0.358 0.000 2.272 272 L HA 0.485 4.825 4.340 0.000 0.000 0.284 272 L C -0.660 176.043 176.870 -0.278 0.000 1.045 272 L CA -0.212 54.385 54.840 -0.406 0.000 0.842 272 L CB 0.269 41.788 42.059 -0.900 0.000 1.224 272 L HN 0.548 nan 8.230 nan 0.000 0.430 273 T N 4.729 119.203 114.554 -0.134 0.000 2.744 273 T HA 0.507 4.857 4.350 0.000 0.000 0.291 273 T C -0.378 174.329 174.700 0.013 0.000 0.957 273 T CA -0.398 61.606 62.100 -0.159 0.000 1.002 273 T CB 1.339 70.051 68.868 -0.260 0.000 0.919 273 T HN 0.360 nan 8.240 nan 0.000 0.468 274 L N 2.699 123.953 121.223 0.052 0.000 2.334 274 L HA 0.788 5.128 4.340 0.000 0.000 0.276 274 L C -0.624 176.204 176.870 -0.069 0.000 1.014 274 L CA -0.393 54.502 54.840 0.091 0.000 0.815 274 L CB 1.446 43.633 42.059 0.213 0.000 1.268 274 L HN 0.895 nan 8.230 nan 0.000 0.428 275 A N 5.928 128.694 122.820 -0.090 0.000 2.497 275 A HA 0.634 4.954 4.320 0.000 0.000 0.280 275 A C -1.001 176.509 177.584 -0.124 0.000 1.065 275 A CA -0.627 51.343 52.037 -0.112 0.000 0.781 275 A CB 0.555 19.495 19.000 -0.100 0.000 1.289 275 A HN 0.675 nan 8.150 nan 0.000 0.415 276 L N 0.322 121.461 121.223 -0.139 0.000 2.777 276 L HA 0.978 5.318 4.340 0.000 0.000 0.241 276 L C 0.217 176.998 176.870 -0.148 0.000 1.854 276 L CA -0.764 53.980 54.840 -0.160 0.000 2.070 276 L CB 0.512 42.448 42.059 -0.204 0.000 2.441 276 L HN 0.908 nan 8.230 nan 0.000 0.587 277 E N -1.749 118.336 120.200 -0.192 0.000 1.894 277 E HA 0.607 4.957 4.350 0.000 0.000 0.215 277 E C -0.434 176.053 176.600 -0.188 0.000 1.642 277 E CA -0.204 56.105 56.400 -0.152 0.000 1.032 277 E CB 1.122 30.765 29.700 -0.096 0.000 1.625 277 E HN 0.905 nan 8.360 nan 0.000 0.591 278 A N -0.222 122.554 122.820 -0.074 0.000 3.259 278 A HA 0.008 4.328 4.320 0.000 0.000 0.196 278 A C 0.128 177.725 177.584 0.021 0.000 0.701 278 A CA 0.455 52.492 52.037 -0.000 0.000 2.223 278 A CB -0.850 18.206 19.000 0.094 0.000 0.604 278 A HN 0.270 nan 8.150 nan 0.000 0.576 279 K N 1.835 122.251 120.400 0.027 0.000 3.098 279 K HA 0.322 4.642 4.320 0.000 0.000 0.204 279 K C 0.304 176.910 176.600 0.008 0.000 1.210 279 K CA 0.610 56.910 56.287 0.021 0.000 0.899 279 K CB 0.847 33.370 32.500 0.038 0.000 1.176 279 K HN 0.927 nan 8.250 nan 0.000 0.585 280 T N -1.259 113.282 114.554 -0.021 0.000 2.484 280 T HA 0.157 4.507 4.350 0.000 0.000 0.407 280 T C 0.718 175.403 174.700 -0.024 0.000 1.049 280 T CA 0.728 62.805 62.100 -0.039 0.000 1.080 280 T CB 0.362 69.205 68.868 -0.041 0.000 1.041 280 T HN 0.649 nan 8.240 nan 0.000 0.546 281 G N -0.555 108.223 108.800 -0.036 0.000 2.336 281 G HA2 0.460 4.420 3.960 0.000 0.000 0.300 281 G HA3 0.460 4.420 3.960 0.000 0.000 0.300 281 G C -1.959 172.909 174.900 -0.053 0.000 1.375 281 G CA -0.616 44.469 45.100 -0.025 0.000 0.885 281 G HN 0.915 nan 8.290 nan 0.000 0.599 282 K N 0.779 121.147 120.400 -0.053 0.000 2.541 282 K HA 0.567 4.887 4.320 0.000 0.000 0.250 282 K C -0.585 175.885 176.600 -0.216 0.000 0.950 282 K CA -0.771 55.425 56.287 -0.152 0.000 0.805 282 K CB 2.485 34.863 32.500 -0.203 0.000 1.166 282 K HN 0.492 nan 8.250 nan 0.000 0.430 283 L N 2.751 123.863 121.223 -0.185 0.000 2.439 283 L HA 0.386 4.726 4.340 0.000 0.000 0.261 283 L C -0.275 176.472 176.870 -0.206 0.000 1.153 283 L CA -0.490 54.333 54.840 -0.029 0.000 0.808 283 L CB 0.138 42.216 42.059 0.031 0.000 1.126 283 L HN 0.614 nan 8.230 nan 0.000 0.460 284 H N 0.026 119.198 119.070 0.169 0.000 2.961 284 H HA 0.624 5.180 4.556 0.000 0.000 0.371 284 H C -1.194 174.110 175.328 -0.041 0.000 1.190 284 H CA -0.953 55.101 56.048 0.010 0.000 1.138 284 H CB 1.859 31.580 29.762 -0.070 0.000 1.816 284 H HN 0.449 nan 8.280 nan 0.000 0.551 285 Q N 0.252 119.956 119.800 -0.160 0.000 2.430 285 Q HA 0.303 4.643 4.340 0.000 0.000 0.253 285 Q C -1.458 174.337 176.000 -0.341 0.000 0.945 285 Q CA -0.919 54.709 55.803 -0.292 0.000 0.964 285 Q CB 1.735 30.110 28.738 -0.605 0.000 1.460 285 Q HN 0.630 nan 8.270 nan 0.000 0.428 286 E N 1.648 121.716 120.200 -0.221 0.000 2.390 286 E HA 0.578 4.928 4.350 0.000 0.000 0.261 286 E C -1.238 175.218 176.600 -0.239 0.000 1.076 286 E CA -0.478 55.789 56.400 -0.221 0.000 0.905 286 E CB 1.163 30.775 29.700 -0.147 0.000 0.984 286 E HN 0.496 nan 8.360 nan 0.000 0.427 287 V N 4.494 124.228 119.914 -0.300 0.000 2.888 287 V HA 0.473 4.593 4.120 0.000 0.000 0.309 287 V C -0.927 174.933 176.094 -0.390 0.000 1.114 287 V CA -0.889 61.228 62.300 -0.305 0.000 0.940 287 V CB 2.214 33.768 31.823 -0.449 0.000 1.021 287 V HN 0.836 nan 8.190 nan 0.000 0.426 288 N N 3.437 122.012 118.700 -0.209 0.000 2.308 288 N HA 0.632 5.372 4.740 0.000 0.000 0.283 288 N C -1.905 173.689 175.510 0.140 0.000 1.105 288 N CA -0.558 52.408 53.050 -0.139 0.000 0.840 288 N CB 3.133 41.568 38.487 -0.088 0.000 1.633 288 N HN 0.450 nan 8.380 nan 0.000 0.476 289 L N 1.566 122.978 121.223 0.315 0.000 2.436 289 L HA 0.579 4.919 4.340 0.000 0.000 0.268 289 L C -1.396 175.688 176.870 0.357 0.000 0.974 289 L CA -0.645 54.467 54.840 0.452 0.000 0.826 289 L CB 1.888 44.428 42.059 0.801 0.000 1.291 289 L HN 0.322 nan 8.230 nan 0.000 0.406 290 V N 4.863 124.938 119.914 0.268 0.000 2.715 290 V HA 0.792 4.912 4.120 0.000 0.000 0.310 290 V C -0.598 175.672 176.094 0.293 0.000 1.054 290 V CA -0.730 61.752 62.300 0.303 0.000 0.928 290 V CB 2.022 34.066 31.823 0.369 0.000 1.007 290 V HN 0.531 nan 8.190 nan 0.000 0.437 291 V N 4.053 124.160 119.914 0.322 0.000 2.876 291 V HA 0.583 4.704 4.120 0.000 0.000 0.312 291 V C -0.451 175.835 176.094 0.321 0.000 1.085 291 V CA -0.538 61.937 62.300 0.293 0.000 0.945 291 V CB 2.019 34.005 31.823 0.272 0.000 1.017 291 V HN 0.914 nan 8.190 nan 0.000 0.428 292 M N 3.744 123.485 119.600 0.234 0.000 2.321 292 M HA 0.828 5.308 4.480 0.000 0.000 0.315 292 M C -0.437 175.971 176.300 0.180 0.000 1.052 292 M CA -0.555 54.854 55.300 0.182 0.000 0.936 292 M CB 1.774 34.444 32.600 0.116 0.000 1.639 292 M HN 0.812 nan 8.290 nan 0.000 0.433 293 R N 3.336 123.946 120.500 0.183 0.000 2.407 293 R HA 0.790 5.130 4.340 0.000 0.000 0.298 293 R C -0.969 175.397 176.300 0.110 0.000 1.166 293 R CA -0.068 56.132 56.100 0.167 0.000 1.006 293 R CB 0.811 31.267 30.300 0.259 0.000 1.145 293 R HN 0.885 nan 8.270 nan 0.000 0.538 294 A N 1.705 124.574 122.820 0.081 0.000 2.316 294 A HA 0.650 4.970 4.320 0.000 0.000 0.311 294 A C -0.115 177.495 177.584 0.042 0.000 1.339 294 A CA -0.202 51.870 52.037 0.059 0.000 0.960 294 A CB 0.379 19.416 19.000 0.062 0.000 1.152 294 A HN 0.614 nan 8.150 nan 0.000 0.547 295 T N 2.558 117.130 114.554 0.031 0.000 3.143 295 T HA 0.206 4.556 4.350 0.000 0.000 0.312 295 T C -0.536 174.156 174.700 -0.012 0.000 0.986 295 T CA -0.378 61.731 62.100 0.014 0.000 1.024 295 T CB 1.069 69.957 68.868 0.034 0.000 1.030 295 T HN 0.790 nan 8.240 nan 0.000 0.448 296 Q N 4.653 124.426 119.800 -0.045 0.000 2.297 296 Q HA 0.252 4.592 4.340 0.000 0.000 0.267 296 Q C 0.769 176.744 176.000 -0.041 0.000 1.006 296 Q CA -0.232 55.526 55.803 -0.075 0.000 0.896 296 Q CB 0.554 29.226 28.738 -0.110 0.000 1.186 296 Q HN 0.672 nan 8.270 nan 0.000 0.392 297 L N 2.906 124.109 121.223 -0.033 0.000 1.921 297 L HA -0.275 4.065 4.340 0.000 0.000 0.219 297 L C 1.260 178.116 176.870 -0.023 0.000 1.081 297 L CA 1.594 56.423 54.840 -0.018 0.000 0.771 297 L CB -0.599 41.450 42.059 -0.016 0.000 0.888 297 L HN 0.724 nan 8.230 nan 0.000 0.433 298 Q N -1.090 118.693 119.800 -0.029 0.000 3.074 298 Q HA 0.175 4.515 4.340 0.000 0.000 0.208 298 Q C 0.946 176.923 176.000 -0.038 0.000 1.163 298 Q CA -0.751 55.035 55.803 -0.027 0.000 0.358 298 Q CB -0.342 28.383 28.738 -0.020 0.000 5.680 298 Q HN -0.022 nan 8.270 nan 0.000 0.297 299 K N 0.685 121.065 120.400 -0.033 0.000 2.555 299 K HA 0.139 4.459 4.320 0.000 0.000 0.193 299 K C -0.497 176.068 176.600 -0.059 0.000 1.032 299 K CA 0.395 56.659 56.287 -0.040 0.000 1.004 299 K CB -0.372 32.114 32.500 -0.023 0.000 0.804 299 K HN 0.296 nan 8.250 nan 0.000 0.496 300 N N 1.246 119.912 118.700 -0.057 0.000 2.272 300 N HA 0.350 5.090 4.740 0.000 0.000 0.305 300 N C -0.482 174.980 175.510 -0.080 0.000 1.103 300 N CA -0.697 52.313 53.050 -0.066 0.000 0.791 300 N CB 2.117 40.592 38.487 -0.021 0.000 1.356 300 N HN -0.016 nan 8.380 nan 0.000 0.486 301 L N -1.263 119.887 121.223 -0.122 0.000 2.299 301 L HA 0.898 5.238 4.340 0.000 0.000 0.268 301 L C 0.074 176.925 176.870 -0.031 0.000 1.012 301 L CA -0.332 54.435 54.840 -0.121 0.000 0.816 301 L CB 1.595 43.495 42.059 -0.265 0.000 1.355 301 L HN 0.426 nan 8.230 nan 0.000 0.457 302 T N -1.088 113.456 114.554 -0.017 0.000 2.831 302 T HA 0.490 4.840 4.350 0.000 0.000 0.333 302 T C -1.995 172.728 174.700 0.037 0.000 1.684 302 T CA -0.346 61.784 62.100 0.050 0.000 1.049 302 T CB 1.080 70.008 68.868 0.101 0.000 1.518 302 T HN 0.972 nan 8.240 nan 0.000 0.491 303 C N 2.579 121.907 119.300 0.047 0.000 3.170 303 C HA 0.881 5.341 4.460 0.000 0.000 0.319 303 C C -2.035 172.958 174.990 0.005 0.000 1.260 303 C CA -0.359 58.683 59.018 0.040 0.000 1.374 303 C CB 1.531 29.296 27.740 0.042 0.000 1.739 303 C HN 0.970 nan 8.230 nan 0.000 0.479 304 E N 2.980 123.167 120.200 -0.021 0.000 2.352 304 E HA 0.514 4.864 4.350 0.000 0.000 0.280 304 E C -2.004 174.475 176.600 -0.202 0.000 0.930 304 E CA -0.520 55.773 56.400 -0.178 0.000 0.765 304 E CB 1.581 31.062 29.700 -0.364 0.000 1.219 304 E HN 0.380 nan 8.360 nan 0.000 0.434 305 V N 2.969 122.738 119.914 -0.242 0.000 2.347 305 V HA 0.354 4.474 4.120 0.000 0.000 0.280 305 V C -1.066 174.949 176.094 -0.132 0.000 1.021 305 V CA -0.398 61.852 62.300 -0.084 0.000 0.847 305 V CB 0.252 32.075 31.823 0.000 0.000 0.990 305 V HN 0.598 nan 8.190 nan 0.000 0.444 306 W N 3.786 125.150 121.300 0.108 0.000 2.485 306 W HA 0.807 5.467 4.660 -0.000 0.000 0.364 306 W C 0.843 177.447 176.519 0.142 0.000 1.171 306 W CA 0.817 58.231 57.345 0.114 0.000 1.304 306 W CB 0.991 30.517 29.460 0.111 0.000 1.335 306 W HN 0.983 nan 8.180 nan 0.000 0.643 307 G N 0.564 109.621 108.800 0.428 0.000 2.482 307 G HA2 -0.174 3.786 3.960 0.000 0.000 0.214 307 G HA3 -0.174 3.786 3.960 0.000 0.000 0.214 307 G C -2.741 172.300 174.900 0.234 0.000 1.271 307 G CA -0.850 44.443 45.100 0.322 0.000 0.944 307 G HN 0.421 nan 8.290 nan 0.000 0.568 308 P HA 0.308 nan 4.420 nan 0.000 0.247 308 P C 0.264 177.660 177.300 0.161 0.000 1.756 308 P CA 0.617 63.804 63.100 0.146 0.000 1.117 308 P CB -0.185 31.577 31.700 0.102 0.000 1.869 309 T N -0.726 113.915 114.554 0.145 0.000 2.934 309 T HA 0.448 4.798 4.350 0.000 0.000 0.283 309 T C 0.228 174.985 174.700 0.095 0.000 1.005 309 T CA -0.746 61.434 62.100 0.132 0.000 1.041 309 T CB 1.186 70.113 68.868 0.099 0.000 1.042 309 T HN 0.182 nan 8.240 nan 0.000 0.505 310 S N 1.696 117.445 115.700 0.081 0.000 2.541 310 S HA 0.407 4.877 4.470 0.000 0.000 0.283 310 S C -1.790 172.832 174.600 0.037 0.000 1.196 310 S CA -1.734 56.501 58.200 0.058 0.000 1.062 310 S CB 0.873 64.106 63.200 0.056 0.000 1.009 310 S HN 0.643 nan 8.310 nan 0.000 0.502 311 P HA 0.161 nan 4.420 nan 0.000 0.252 311 P C 0.084 177.393 177.300 0.015 0.000 1.265 311 P CA 0.323 63.435 63.100 0.021 0.000 0.775 311 P CB 0.078 31.791 31.700 0.022 0.000 1.128 312 K N -0.741 119.668 120.400 0.016 0.000 2.348 312 K HA 0.181 4.501 4.320 0.000 0.000 0.194 312 K C 1.015 177.617 176.600 0.002 0.000 1.052 312 K CA 0.274 56.567 56.287 0.010 0.000 1.004 312 K CB -0.389 32.119 32.500 0.014 0.000 0.873 312 K HN 0.155 nan 8.250 nan 0.000 0.523 313 L N -0.256 120.969 121.223 0.003 0.000 2.479 313 L HA 0.358 4.698 4.340 0.000 0.000 0.248 313 L C 0.394 177.254 176.870 -0.018 0.000 1.205 313 L CA -0.213 54.621 54.840 -0.010 0.000 0.817 313 L CB 0.122 42.174 42.059 -0.011 0.000 1.162 313 L HN -0.163 nan 8.230 nan 0.000 0.486 314 M N 1.202 120.784 119.600 -0.029 0.000 2.631 314 M HA 0.550 5.030 4.480 0.000 0.000 0.288 314 M C -1.071 175.205 176.300 -0.040 0.000 1.260 314 M CA -0.363 54.916 55.300 -0.035 0.000 0.842 314 M CB 2.380 34.958 32.600 -0.036 0.000 1.743 314 M HN 0.541 nan 8.290 nan 0.000 0.461 315 L N 0.939 122.135 121.223 -0.044 0.000 2.371 315 L HA 0.825 5.165 4.340 0.000 0.000 0.262 315 L C -1.182 175.661 176.870 -0.046 0.000 1.006 315 L CA -0.131 54.683 54.840 -0.043 0.000 0.818 315 L CB 2.263 44.295 42.059 -0.045 0.000 1.354 315 L HN 0.949 nan 8.230 nan 0.000 0.415 316 S N 3.811 119.492 115.700 -0.032 0.000 2.537 316 S HA 0.667 5.137 4.470 0.000 0.000 0.270 316 S C -1.203 173.403 174.600 0.011 0.000 1.142 316 S CA -0.753 57.430 58.200 -0.029 0.000 0.870 316 S CB 2.160 65.337 63.200 -0.038 0.000 1.112 316 S HN 0.509 nan 8.310 nan 0.000 0.466 317 L N 2.135 123.383 121.223 0.042 0.000 2.439 317 L HA 0.664 5.004 4.340 0.000 0.000 0.270 317 L C -0.719 176.234 176.870 0.140 0.000 0.972 317 L CA -0.407 54.534 54.840 0.168 0.000 0.836 317 L CB 1.923 44.128 42.059 0.243 0.000 1.255 317 L HN 0.927 nan 8.230 nan 0.000 0.404 318 K N 2.329 122.709 120.400 -0.033 0.000 2.509 318 K HA 0.527 4.847 4.320 0.000 0.000 0.266 318 K C -0.321 175.696 176.600 -0.972 0.000 0.987 318 K CA -0.944 55.053 56.287 -0.484 0.000 0.868 318 K CB 1.659 33.981 32.500 -0.296 0.000 1.421 318 K HN 0.344 nan 8.250 nan 0.000 0.444 319 L N -0.492 119.825 121.223 -1.510 0.000 2.688 319 L HA 0.277 4.617 4.340 0.000 0.000 0.234 319 L C 1.092 177.594 176.870 -0.613 0.000 1.192 319 L CA 0.575 54.480 54.840 -1.559 0.000 0.984 319 L CB -0.703 40.452 42.059 -1.508 0.000 1.232 319 L HN 1.128 nan 8.230 nan 0.000 0.465 320 E N -0.114 119.838 120.200 -0.413 0.000 4.540 320 E HA -0.449 3.901 4.350 0.000 0.000 0.175 320 E C 0.954 177.441 176.600 -0.188 0.000 1.236 320 E CA 1.851 58.116 56.400 -0.224 0.000 2.396 320 E CB -1.568 28.044 29.700 -0.147 0.000 1.797 320 E HN 0.598 nan 8.360 nan 0.000 0.437 321 N N 1.850 120.433 118.700 -0.195 0.000 2.005 321 N HA -0.113 4.627 4.740 0.000 0.000 0.199 321 N C 0.709 176.139 175.510 -0.134 0.000 1.054 321 N CA 2.168 55.134 53.050 -0.140 0.000 0.864 321 N CB -0.221 38.187 38.487 -0.133 0.000 1.063 321 N HN 0.471 nan 8.380 nan 0.000 0.428 322 K N 1.108 121.408 120.400 -0.166 0.000 2.109 322 K HA 0.208 4.528 4.320 0.000 0.000 0.243 322 K C 0.350 176.857 176.600 -0.156 0.000 1.006 322 K CA -0.637 55.567 56.287 -0.139 0.000 0.917 322 K CB 0.846 33.270 32.500 -0.127 0.000 1.081 322 K HN 0.099 nan 8.250 nan 0.000 0.468 323 E N 0.435 120.564 120.200 -0.118 0.000 2.405 323 E HA 0.099 4.449 4.350 0.000 0.000 0.253 323 E C -0.240 176.288 176.600 -0.120 0.000 1.257 323 E CA -0.350 55.985 56.400 -0.108 0.000 0.960 323 E CB 0.306 29.961 29.700 -0.076 0.000 1.077 323 E HN 0.693 nan 8.360 nan 0.000 0.512 324 A N 0.627 123.388 122.820 -0.099 0.000 2.198 324 A HA -0.126 4.194 4.320 0.000 0.000 0.322 324 A C 1.266 178.802 177.584 -0.079 0.000 0.870 324 A CA 1.609 53.594 52.037 -0.087 0.000 1.382 324 A CB -0.902 18.058 19.000 -0.066 0.000 0.668 324 A HN 0.652 nan 8.150 nan 0.000 0.299 325 K N 1.586 121.938 120.400 -0.080 0.000 2.305 325 K HA 0.448 4.768 4.320 0.000 0.000 0.199 325 K C 0.716 177.321 176.600 0.008 0.000 1.047 325 K CA 1.372 57.653 56.287 -0.011 0.000 0.976 325 K CB 0.195 32.731 32.500 0.060 0.000 0.765 325 K HN 1.954 nan 8.250 nan 0.000 0.474 326 V N 0.039 119.936 119.914 -0.027 0.000 2.839 326 V HA 0.435 4.555 4.120 0.000 0.000 0.284 326 V C -1.981 174.058 176.094 -0.092 0.000 1.397 326 V CA -0.416 61.830 62.300 -0.091 0.000 0.938 326 V CB 1.490 33.219 31.823 -0.157 0.000 1.112 326 V HN 0.326 nan 8.190 nan 0.000 0.443 327 S N 5.988 121.628 115.700 -0.100 0.000 2.503 327 S HA 0.940 5.410 4.470 0.000 0.000 0.301 327 S C -0.755 173.786 174.600 -0.098 0.000 1.087 327 S CA -0.432 57.718 58.200 -0.083 0.000 1.042 327 S CB 1.757 64.918 63.200 -0.064 0.000 1.043 327 S HN 0.893 nan 8.310 nan 0.000 0.489 328 K N 1.233 121.583 120.400 -0.084 0.000 2.735 328 K HA 0.356 4.676 4.320 0.000 0.000 0.295 328 K C -1.566 175.002 176.600 -0.053 0.000 1.052 328 K CA -0.666 55.574 56.287 -0.079 0.000 0.853 328 K CB 1.240 33.670 32.500 -0.117 0.000 1.535 328 K HN 0.514 nan 8.250 nan 0.000 0.383 329 R N 2.041 122.517 120.500 -0.038 0.000 2.664 329 R HA 0.210 4.550 4.340 0.000 0.000 0.281 329 R C -1.160 175.130 176.300 -0.016 0.000 1.383 329 R CA -0.121 55.964 56.100 -0.024 0.000 1.563 329 R CB 0.481 30.772 30.300 -0.015 0.000 1.131 329 R HN 0.586 nan 8.270 nan 0.000 0.599 330 E N 0.025 120.211 120.200 -0.023 0.000 2.429 330 E HA 0.084 4.434 4.350 0.000 0.000 0.277 330 E C -0.793 175.782 176.600 -0.042 0.000 1.130 330 E CA -0.955 55.433 56.400 -0.020 0.000 0.875 330 E CB 0.608 30.308 29.700 0.000 0.000 1.443 330 E HN 0.142 nan 8.360 nan 0.000 0.444 331 K N -0.417 119.943 120.400 -0.068 0.000 2.358 331 K HA 0.515 4.835 4.320 0.000 0.000 0.197 331 K C 0.285 176.764 176.600 -0.202 0.000 1.025 331 K CA 0.299 56.504 56.287 -0.136 0.000 1.104 331 K CB 0.961 33.359 32.500 -0.170 0.000 0.855 331 K HN 0.411 nan 8.250 nan 0.000 0.531 332 A N 1.563 124.316 122.820 -0.112 0.000 3.127 332 A HA 0.379 4.699 4.320 0.000 0.000 0.319 332 A C -0.875 176.771 177.584 0.103 0.000 1.104 332 A CA -0.590 51.404 52.037 -0.072 0.000 0.802 332 A CB 0.747 19.675 19.000 -0.120 0.000 1.193 332 A HN 0.039 nan 8.150 nan 0.000 0.479 333 V N 1.263 121.217 119.914 0.067 0.000 2.997 333 V HA 0.754 4.874 4.120 0.000 0.000 0.311 333 V C -0.309 175.890 176.094 0.176 0.000 1.066 333 V CA -0.015 62.319 62.300 0.057 0.000 1.039 333 V CB 1.600 33.355 31.823 -0.114 0.000 1.081 333 V HN 0.948 nan 8.190 nan 0.000 0.467 334 W N 1.992 123.279 121.300 -0.021 0.000 3.032 334 W HA 0.776 5.436 4.660 0.000 0.000 0.335 334 W C -1.962 174.548 176.519 -0.015 0.000 1.154 334 W CA -1.095 56.234 57.345 -0.027 0.000 1.204 334 W CB 1.436 30.878 29.460 -0.030 0.000 1.416 334 W HN 0.256 nan 8.180 nan 0.000 0.521 335 V N 5.173 125.103 119.914 0.028 0.000 2.385 335 V HA 0.250 4.370 4.120 0.000 0.000 0.277 335 V C -0.038 176.070 176.094 0.022 0.000 1.012 335 V CA -0.944 61.331 62.300 -0.042 0.000 0.832 335 V CB 0.673 32.457 31.823 -0.064 0.000 1.028 335 V HN 0.757 nan 8.190 nan 0.000 0.436 336 L N 3.493 124.805 121.223 0.148 0.000 2.367 336 L HA 0.613 4.953 4.340 0.000 0.000 0.275 336 L C 0.428 177.325 176.870 0.045 0.000 1.129 336 L CA 0.304 55.215 54.840 0.118 0.000 0.839 336 L CB 0.440 42.616 42.059 0.194 0.000 1.133 336 L HN 0.700 nan 8.230 nan 0.000 0.453 337 N N 2.383 121.084 118.700 0.001 0.000 2.623 337 N HA -0.092 4.648 4.740 0.000 0.000 0.271 337 N C -2.589 172.916 175.510 -0.009 0.000 1.206 337 N CA 0.554 53.604 53.050 0.000 0.000 0.666 337 N CB -0.623 37.885 38.487 0.034 0.000 0.887 337 N HN 0.679 nan 8.380 nan 0.000 0.554 338 P HA 0.467 nan 4.420 nan 0.000 0.283 338 P C -0.528 176.835 177.300 0.105 0.000 1.278 338 P CA -0.244 62.799 63.100 -0.095 0.000 0.834 338 P CB 1.049 32.366 31.700 -0.637 0.000 1.150 339 E N -0.445 119.964 120.200 0.349 0.000 2.263 339 E HA 0.618 4.968 4.350 0.000 0.000 0.264 339 E C -0.517 176.285 176.600 0.335 0.000 0.923 339 E CA -1.152 55.401 56.400 0.254 0.000 0.802 339 E CB 1.113 30.936 29.700 0.204 0.000 1.228 339 E HN 0.481 nan 8.360 nan 0.000 0.417 340 A N 1.283 124.220 122.820 0.196 0.000 2.567 340 A HA 0.486 4.806 4.320 0.000 0.000 0.240 340 A C 0.475 178.182 177.584 0.205 0.000 1.053 340 A CA 1.043 53.190 52.037 0.184 0.000 0.755 340 A CB -0.471 18.589 19.000 0.099 0.000 0.978 340 A HN 0.663 nan 8.150 nan 0.000 0.507 341 G N 1.486 110.433 108.800 0.246 0.000 2.376 341 G HA2 0.424 4.384 3.960 0.000 0.000 0.302 341 G HA3 0.424 4.384 3.960 0.000 0.000 0.302 341 G C -0.711 174.335 174.900 0.243 0.000 1.586 341 G CA -0.976 44.208 45.100 0.140 0.000 0.907 341 G HN 0.638 nan 8.290 nan 0.000 0.655 342 M N 1.484 121.153 119.600 0.115 0.000 2.725 342 M HA 0.221 4.701 4.480 0.000 0.000 0.322 342 M C -0.507 175.877 176.300 0.140 0.000 1.393 342 M CA -0.212 55.177 55.300 0.148 0.000 1.452 342 M CB -0.161 32.485 32.600 0.076 0.000 1.242 342 M HN 0.456 nan 8.290 nan 0.000 0.487 343 W N 2.951 124.250 121.300 -0.003 0.000 2.231 343 W HA 0.055 4.715 4.660 0.000 0.000 0.341 343 W C 0.413 176.928 176.519 -0.006 0.000 1.298 343 W CA 0.350 57.691 57.345 -0.006 0.000 1.266 343 W CB 0.176 29.634 29.460 -0.004 0.000 1.172 343 W HN 0.454 nan 8.180 nan 0.000 0.568 344 Q N 2.800 122.694 119.800 0.156 0.000 2.330 344 Q HA 0.387 4.727 4.340 0.000 0.000 0.269 344 Q C -0.952 175.109 176.000 0.102 0.000 1.022 344 Q CA -0.881 54.976 55.803 0.091 0.000 0.796 344 Q CB 2.318 31.063 28.738 0.012 0.000 1.271 344 Q HN 0.477 nan 8.270 nan 0.000 0.450 345 C N 3.939 123.293 119.300 0.091 0.000 2.350 345 C HA 0.700 5.160 4.460 0.000 0.000 0.348 345 C C -1.072 173.935 174.990 0.029 0.000 1.260 345 C CA -0.294 58.767 59.018 0.070 0.000 1.966 345 C CB -0.429 27.351 27.740 0.067 0.000 2.380 345 C HN 0.704 nan 8.230 nan 0.000 0.535 346 L N 6.946 128.173 121.223 0.007 0.000 2.381 346 L HA 0.607 4.947 4.340 0.000 0.000 0.274 346 L C -0.446 176.403 176.870 -0.034 0.000 0.988 346 L CA -0.172 54.657 54.840 -0.018 0.000 0.824 346 L CB 1.539 43.581 42.059 -0.027 0.000 1.263 346 L HN 0.535 nan 8.230 nan 0.000 0.410 347 L N 2.271 123.462 121.223 -0.053 0.000 2.341 347 L HA 0.805 5.145 4.340 0.000 0.000 0.278 347 L C -0.281 176.520 176.870 -0.114 0.000 1.005 347 L CA 0.435 55.231 54.840 -0.073 0.000 0.818 347 L CB 1.777 43.793 42.059 -0.072 0.000 1.259 347 L HN 0.817 nan 8.230 nan 0.000 0.418 348 S N 3.420 119.059 115.700 -0.101 0.000 4.261 348 S HA 0.642 5.112 4.470 0.000 0.000 0.262 348 S C -1.895 172.658 174.600 -0.078 0.000 1.063 348 S CA -0.095 58.041 58.200 -0.106 0.000 1.355 348 S CB 1.048 64.203 63.200 -0.075 0.000 1.629 348 S HN 0.837 nan 8.310 nan 0.000 0.658 349 D N -1.069 119.302 120.400 -0.049 0.000 2.527 349 D HA 0.266 4.906 4.640 0.000 0.000 0.191 349 D C 0.188 176.476 176.300 -0.020 0.000 0.915 349 D CA 1.020 55.004 54.000 -0.025 0.000 0.963 349 D CB 0.093 40.886 40.800 -0.012 0.000 4.192 349 D HN 0.841 nan 8.370 nan 0.000 0.471 350 S N 1.730 117.421 115.700 -0.014 0.000 2.557 350 S HA -0.262 4.208 4.470 0.000 0.000 0.240 350 S C 1.439 176.029 174.600 -0.017 0.000 1.210 350 S CA 2.152 60.345 58.200 -0.012 0.000 2.526 350 S CB -1.676 61.521 63.200 -0.005 0.000 1.373 350 S HN 1.611 nan 8.310 nan 0.000 0.497 351 G N 1.281 110.069 108.800 -0.021 0.000 4.120 351 G HA2 0.259 4.219 3.960 0.000 0.000 0.209 351 G HA3 0.259 4.219 3.960 0.000 0.000 0.209 351 G C -0.238 174.644 174.900 -0.029 0.000 1.430 351 G CA 0.416 45.502 45.100 -0.024 0.000 0.975 351 G HN 0.697 nan 8.290 nan 0.000 0.525 352 Q N 1.997 121.781 119.800 -0.026 0.000 2.274 352 Q HA 0.375 4.715 4.340 0.000 0.000 0.280 352 Q C 0.143 176.113 176.000 -0.050 0.000 1.047 352 Q CA -0.247 55.539 55.803 -0.029 0.000 0.907 352 Q CB 0.885 29.613 28.738 -0.017 0.000 1.171 352 Q HN 0.165 nan 8.270 nan 0.000 0.381 353 V N 6.751 126.634 119.914 -0.051 0.000 2.509 353 V HA -0.133 3.987 4.120 0.000 0.000 0.297 353 V C 1.333 177.363 176.094 -0.107 0.000 1.014 353 V CA 0.529 62.787 62.300 -0.070 0.000 1.127 353 V CB -0.146 31.647 31.823 -0.050 0.000 0.925 353 V HN 0.879 nan 8.190 nan 0.000 0.480 354 L N 4.206 125.324 121.223 -0.176 0.000 2.121 354 L HA 0.289 4.629 4.340 0.000 0.000 0.200 354 L C 0.552 177.279 176.870 -0.238 0.000 1.132 354 L CA 0.555 55.194 54.840 -0.335 0.000 0.782 354 L CB 0.042 41.739 42.059 -0.604 0.000 0.940 354 L HN 0.409 nan 8.230 nan 0.000 0.458 355 L N 0.199 121.307 121.223 -0.190 0.000 2.309 355 L HA 0.319 4.659 4.340 0.000 0.000 0.282 355 L C -0.478 176.375 176.870 -0.029 0.000 1.036 355 L CA 0.044 54.843 54.840 -0.068 0.000 0.806 355 L CB 1.626 43.671 42.059 -0.023 0.000 1.220 355 L HN 0.144 nan 8.230 nan 0.000 0.429 356 E N 1.671 121.871 120.200 -0.000 0.000 2.260 356 E HA 0.461 4.811 4.350 0.000 0.000 0.266 356 E C -1.577 175.040 176.600 0.027 0.000 0.887 356 E CA -0.330 56.075 56.400 0.008 0.000 0.777 356 E CB 1.630 31.331 29.700 0.000 0.000 1.205 356 E HN 0.478 nan 8.360 nan 0.000 0.414 357 S N 3.324 119.047 115.700 0.039 0.000 2.756 357 S HA 0.375 4.845 4.470 0.000 0.000 0.303 357 S C -0.787 173.850 174.600 0.063 0.000 1.135 357 S CA -0.853 57.377 58.200 0.049 0.000 1.066 357 S CB 0.863 64.097 63.200 0.057 0.000 1.008 357 S HN 0.495 nan 8.310 nan 0.000 0.482 358 N N 1.811 120.546 118.700 0.058 0.000 2.513 358 N HA 0.741 5.481 4.740 0.000 0.000 0.274 358 N C -0.714 174.844 175.510 0.081 0.000 1.189 358 N CA -0.232 52.862 53.050 0.074 0.000 0.975 358 N CB 0.632 39.152 38.487 0.055 0.000 1.157 358 N HN 0.599 nan 8.380 nan 0.000 0.465 359 I N -0.356 120.283 120.570 0.114 0.000 2.771 359 I HA 0.252 4.422 4.170 0.000 0.000 0.291 359 I C -1.528 174.670 176.117 0.136 0.000 1.527 359 I CA -0.552 60.804 61.300 0.095 0.000 1.024 359 I CB 1.363 39.402 38.000 0.066 0.000 1.388 359 I HN 0.421 nan 8.210 nan 0.000 0.447 360 K N 4.793 125.248 120.400 0.093 0.000 2.139 360 K HA 0.859 5.179 4.320 0.000 0.000 0.243 360 K C -1.332 175.297 176.600 0.048 0.000 0.983 360 K CA -0.931 55.428 56.287 0.120 0.000 0.890 360 K CB 1.941 34.493 32.500 0.087 0.000 1.090 360 K HN 0.315 nan 8.250 nan 0.000 0.445 361 V N 2.423 122.383 119.914 0.078 0.000 2.715 361 V HA 0.233 4.353 4.120 0.000 0.000 0.310 361 V C 0.868 176.984 176.094 0.038 0.000 1.054 361 V CA -0.737 61.562 62.300 -0.000 0.000 0.928 361 V CB 1.417 33.211 31.823 -0.048 0.000 1.007 361 V HN 0.672 nan 8.190 nan 0.000 0.437 362 L N 1.820 123.051 121.223 0.013 0.000 2.117 362 L HA 0.299 4.639 4.340 0.000 0.000 0.200 362 L C -0.831 176.055 176.870 0.026 0.000 1.110 362 L CA -0.008 54.843 54.840 0.019 0.000 0.774 362 L CB -1.969 40.094 42.059 0.006 0.000 0.934 362 L HN 0.487 nan 8.230 nan 0.000 0.456 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.114 63.100 0.024 0.000 0.800 363 P CB 0.000 31.710 31.700 0.017 0.000 0.726