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 1pwe_1_A DATA FIRST_RESID 6 DATA SEQUENCE SLHVKTPLRD SMALSKVAGT SVFLKMDSSQ PSGSFKIRGI GHLCKMKAKQ DATA SEQUENCE GCKHFVCSSA GNAGMATAYA ARRLGLPATI VVPSTTPALT IERLKNEGAT DATA SEQUENCE VEVVGEMLDE AIQLAKALEK NNPGWVYISP FDDPLIWEGH TSLVKELKET DATA SEQUENCE LSAKPGAIVL SVGGGGLLCG VVQGLREVGW EDVPIIAMET FGAHSFHAAV DATA SEQUENCE KEGKLVTLPK ITSVAKALGV NTVGAQTLKL FYEHPIFSEV ISDQEAVTAI DATA SEQUENCE EKFVDDEKIL VEPACGAALA AVYSGVVCRL QAEARLQTPL ASLVVIVCGG DATA SEQUENCE SNISLAQLQA LKAQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.582 174.600 -0.029 0.000 1.055 6 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 6 S CB 0.000 63.228 63.200 0.047 0.000 0.593 7 L N 2.693 123.950 121.223 0.056 0.000 2.017 7 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 7 L C 1.476 178.452 176.870 0.177 0.000 1.073 7 L CA 1.427 56.343 54.840 0.127 0.000 0.745 7 L CB -0.746 41.397 42.059 0.139 0.000 0.894 7 L HN 0.685 nan 8.230 nan 0.000 0.432 8 H N -0.191 118.942 119.070 0.104 0.000 2.490 8 H HA 0.506 5.062 4.556 -0.000 0.000 0.354 8 H C -0.355 175.010 175.328 0.060 0.000 1.365 8 H CA -0.376 55.718 56.048 0.077 0.000 1.413 8 H CB 1.171 30.977 29.762 0.074 0.000 1.631 8 H HN -0.057 nan 8.280 nan 0.000 0.607 9 V N -2.307 117.600 119.914 -0.012 0.000 3.040 9 V HA 0.395 4.515 4.120 -0.000 0.000 0.312 9 V C -0.137 175.985 176.094 0.047 0.000 1.115 9 V CA -1.367 60.886 62.300 -0.077 0.000 0.998 9 V CB 1.879 33.690 31.823 -0.019 0.000 1.042 9 V HN 0.873 nan 8.190 nan 0.000 0.433 10 K N 2.925 123.332 120.400 0.011 0.000 2.262 10 K HA 0.325 4.645 4.320 -0.000 0.000 0.288 10 K C 0.310 176.939 176.600 0.049 0.000 1.090 10 K CA 0.099 56.421 56.287 0.059 0.000 0.918 10 K CB 0.046 32.565 32.500 0.031 0.000 1.139 10 K HN 1.087 nan 8.250 nan 0.000 0.462 11 T N 2.736 117.331 114.554 0.070 0.000 2.913 11 T HA 0.282 4.632 4.350 -0.000 0.000 0.297 11 T C -2.047 172.676 174.700 0.038 0.000 1.029 11 T CA -1.612 60.519 62.100 0.052 0.000 1.104 11 T CB 0.889 69.796 68.868 0.065 0.000 0.964 11 T HN 0.417 nan 8.240 nan 0.000 0.532 12 P HA 0.191 nan 4.420 nan 0.000 0.270 12 P C -0.894 176.413 177.300 0.011 0.000 1.227 12 P CA -0.582 62.524 63.100 0.010 0.000 0.788 12 P CB 0.485 32.189 31.700 0.006 0.000 0.926 13 L N 2.085 123.295 121.223 -0.022 0.000 2.401 13 L HA 0.349 4.689 4.340 -0.000 0.000 0.263 13 L C 0.274 177.091 176.870 -0.089 0.000 1.004 13 L CA -0.488 54.328 54.840 -0.040 0.000 0.881 13 L CB 0.575 42.585 42.059 -0.082 0.000 1.219 13 L HN 0.233 nan 8.230 nan 0.000 0.441 14 R N 1.776 122.270 120.500 -0.010 0.000 2.490 14 R HA 0.237 4.577 4.340 -0.000 0.000 0.280 14 R C -0.577 175.753 176.300 0.051 0.000 1.077 14 R CA -0.506 55.596 56.100 0.004 0.000 1.065 14 R CB 0.698 31.031 30.300 0.055 0.000 1.003 14 R HN 0.459 nan 8.270 nan 0.000 0.470 15 D N 1.376 121.804 120.400 0.047 0.000 2.499 15 D HA -0.010 4.630 4.640 -0.000 0.000 0.225 15 D C -0.643 175.766 176.300 0.182 0.000 1.124 15 D CA -0.114 54.024 54.000 0.230 0.000 0.938 15 D CB 0.646 41.531 40.800 0.142 0.000 1.014 15 D HN 0.303 nan 8.370 nan 0.000 0.517 16 S N 3.961 119.775 115.700 0.189 0.000 2.465 16 S HA 0.020 4.490 4.470 -0.000 0.000 0.307 16 S C 1.483 176.126 174.600 0.073 0.000 1.187 16 S CA -0.532 57.734 58.200 0.109 0.000 1.141 16 S CB 0.105 63.372 63.200 0.113 0.000 1.108 16 S HN 0.464 nan 8.310 nan 0.000 0.525 17 M N 5.666 125.299 119.600 0.055 0.000 2.159 17 M HA 0.018 4.497 4.480 -0.000 0.000 0.263 17 M C 2.077 178.394 176.300 0.029 0.000 1.063 17 M CA 1.899 57.221 55.300 0.037 0.000 1.110 17 M CB -1.019 31.599 32.600 0.029 0.000 1.374 17 M HN 0.821 nan 8.290 nan 0.000 0.411 18 A N -0.753 122.089 122.820 0.036 0.000 1.841 18 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 18 A C 1.945 179.551 177.584 0.036 0.000 1.195 18 A CA 1.396 53.462 52.037 0.047 0.000 0.611 18 A CB -0.885 18.155 19.000 0.066 0.000 0.835 18 A HN 0.406 nan 8.150 nan 0.000 0.443 19 L N 0.118 121.351 121.223 0.016 0.000 2.291 19 L HA -0.037 4.303 4.340 -0.000 0.000 0.214 19 L C 2.650 179.473 176.870 -0.078 0.000 1.120 19 L CA 1.601 56.394 54.840 -0.078 0.000 0.799 19 L CB -0.441 41.550 42.059 -0.114 0.000 0.925 19 L HN 0.279 nan 8.230 nan 0.000 0.446 20 S N -0.699 114.977 115.700 -0.040 0.000 2.368 20 S HA -0.192 4.277 4.470 -0.000 0.000 0.224 20 S C 1.992 176.565 174.600 -0.046 0.000 1.029 20 S CA 1.095 59.261 58.200 -0.057 0.000 0.988 20 S CB -0.128 63.050 63.200 -0.037 0.000 0.838 20 S HN 0.385 nan 8.310 nan 0.000 0.462 21 K N 1.167 121.555 120.400 -0.020 0.000 2.063 21 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 21 K C 1.894 178.486 176.600 -0.013 0.000 1.048 21 K CA 1.342 57.623 56.287 -0.010 0.000 0.928 21 K CB -0.224 32.281 32.500 0.009 0.000 0.713 21 K HN 0.163 nan 8.250 nan 0.000 0.442 22 V N 0.970 120.876 119.914 -0.014 0.000 2.307 22 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 22 V C 2.340 178.408 176.094 -0.043 0.000 1.045 22 V CA 1.994 64.288 62.300 -0.011 0.000 1.024 22 V CB -0.443 31.381 31.823 0.002 0.000 0.651 22 V HN 0.509 nan 8.190 nan 0.000 0.449 23 A N -0.706 122.067 122.820 -0.079 0.000 2.119 23 A HA 0.317 4.637 4.320 -0.000 0.000 0.216 23 A C 1.963 179.500 177.584 -0.079 0.000 1.152 23 A CA 1.128 53.110 52.037 -0.092 0.000 0.708 23 A CB -0.536 18.389 19.000 -0.126 0.000 0.805 23 A HN 1.306 nan 8.150 nan 0.000 0.460 24 G N -1.516 107.244 108.800 -0.067 0.000 2.198 24 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.257 24 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.257 24 G C 0.265 175.118 174.900 -0.077 0.000 1.042 24 G CA 1.090 46.154 45.100 -0.060 0.000 0.791 24 G HN 1.730 nan 8.290 nan 0.000 0.502 25 T N -1.771 112.725 114.554 -0.096 0.000 2.893 25 T HA 0.545 4.895 4.350 -0.000 0.000 0.337 25 T C 0.055 174.659 174.700 -0.159 0.000 1.587 25 T CA 0.623 62.649 62.100 -0.123 0.000 1.066 25 T CB 1.059 69.846 68.868 -0.136 0.000 1.414 25 T HN 0.768 nan 8.240 nan 0.000 0.488 26 S N 1.718 117.295 115.700 -0.205 0.000 2.544 26 S HA 0.385 4.855 4.470 -0.000 0.000 0.290 26 S C -0.148 174.198 174.600 -0.424 0.000 1.276 26 S CA -0.296 57.724 58.200 -0.300 0.000 1.075 26 S CB 0.023 62.989 63.200 -0.390 0.000 0.849 26 S HN 0.569 nan 8.310 nan 0.000 0.494 27 V N 5.876 125.604 119.914 -0.310 0.000 2.444 27 V HA 0.459 4.579 4.120 -0.000 0.000 0.294 27 V C -0.490 175.588 176.094 -0.027 0.000 1.022 27 V CA -0.583 61.579 62.300 -0.229 0.000 0.850 27 V CB 0.903 32.658 31.823 -0.113 0.000 0.992 27 V HN 0.788 nan 8.190 nan 0.000 0.426 28 F N 4.677 124.615 119.950 -0.020 0.000 2.450 28 F HA 0.615 5.142 4.527 -0.000 0.000 0.332 28 F C -0.022 175.785 175.800 0.012 0.000 1.093 28 F CA -1.055 56.946 58.000 0.001 0.000 1.003 28 F CB 1.802 40.803 39.000 0.002 0.000 1.151 28 F HN 0.200 nan 8.300 nan 0.000 0.474 29 L N 3.435 124.803 121.223 0.242 0.000 2.298 29 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 29 L C -0.413 176.531 176.870 0.123 0.000 1.013 29 L CA -0.978 53.960 54.840 0.164 0.000 0.824 29 L CB 1.509 43.695 42.059 0.212 0.000 1.221 29 L HN 0.402 nan 8.230 nan 0.000 0.418 30 K N 4.498 124.955 120.400 0.095 0.000 2.250 30 K HA 0.269 4.588 4.320 -0.000 0.000 0.285 30 K C 0.199 176.843 176.600 0.074 0.000 1.097 30 K CA -0.254 56.078 56.287 0.074 0.000 0.913 30 K CB 0.488 33.025 32.500 0.062 0.000 1.179 30 K HN 0.404 nan 8.250 nan 0.000 0.462 31 M N 3.396 123.046 119.600 0.082 0.000 3.722 31 M HA -0.002 4.478 4.480 -0.000 0.000 0.183 31 M C -0.122 176.226 176.300 0.080 0.000 1.485 31 M CA 0.298 55.654 55.300 0.093 0.000 1.685 31 M CB -0.949 31.701 32.600 0.084 0.000 1.198 31 M HN 0.469 nan 8.290 nan 0.000 0.494 32 D N 0.526 120.974 120.400 0.080 0.000 2.384 32 D HA -0.084 4.556 4.640 -0.000 0.000 0.222 32 D C 1.800 178.151 176.300 0.084 0.000 0.976 32 D CA 0.808 54.863 54.000 0.092 0.000 0.915 32 D CB 0.237 41.111 40.800 0.123 0.000 0.896 32 D HN 0.516 nan 8.370 nan 0.000 0.523 33 S N -1.415 114.335 115.700 0.083 0.000 2.474 33 S HA -0.055 4.414 4.470 -0.000 0.000 0.235 33 S C 1.756 176.383 174.600 0.045 0.000 0.997 33 S CA 0.536 58.780 58.200 0.074 0.000 0.949 33 S CB 0.014 63.278 63.200 0.107 0.000 0.766 33 S HN -0.039 nan 8.310 nan 0.000 0.517 34 S N 1.277 117.002 115.700 0.043 0.000 2.575 34 S HA 0.220 4.690 4.470 -0.000 0.000 0.215 34 S C 0.470 175.068 174.600 -0.005 0.000 0.966 34 S CA -0.261 57.949 58.200 0.018 0.000 0.911 34 S CB -0.070 63.145 63.200 0.026 0.000 0.780 34 S HN 0.504 nan 8.310 nan 0.000 0.514 35 Q N 1.447 121.245 119.800 -0.002 0.000 2.373 35 Q HA 0.159 4.499 4.340 -0.000 0.000 0.255 35 Q C -1.659 174.266 176.000 -0.125 0.000 0.980 35 Q CA -1.592 54.194 55.803 -0.027 0.000 0.882 35 Q CB 0.101 28.842 28.738 0.006 0.000 1.249 35 Q HN 0.049 nan 8.270 nan 0.000 0.438 36 P HA -0.247 nan 4.420 nan 0.000 0.214 36 P C 1.488 178.444 177.300 -0.574 0.000 1.169 36 P CA 2.136 64.928 63.100 -0.514 0.000 0.908 36 P CB 0.061 31.243 31.700 -0.864 0.000 0.791 37 S N -1.645 113.761 115.700 -0.489 0.000 2.387 37 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 37 S C 1.652 176.146 174.600 -0.176 0.000 1.035 37 S CA 2.125 60.151 58.200 -0.289 0.000 1.014 37 S CB -1.134 61.973 63.200 -0.154 0.000 0.836 37 S HN 0.361 nan 8.310 nan 0.000 0.466 38 G N -0.507 108.208 108.800 -0.141 0.000 2.205 38 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.180 38 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.180 38 G C 0.104 174.981 174.900 -0.038 0.000 1.004 38 G CA 0.366 45.421 45.100 -0.074 0.000 0.670 38 G HN 1.719 nan 8.290 nan 0.000 0.496 39 S N -0.890 114.774 115.700 -0.060 0.000 2.625 39 S HA 0.650 5.120 4.470 -0.000 0.000 0.271 39 S C 0.737 175.298 174.600 -0.064 0.000 1.161 39 S CA -0.063 58.118 58.200 -0.031 0.000 0.820 39 S CB 0.730 63.875 63.200 -0.092 0.000 1.137 39 S HN 1.332 nan 8.310 nan 0.000 0.470 40 F N 0.823 120.731 119.950 -0.070 0.000 2.333 40 F HA 0.218 4.745 4.527 -0.000 0.000 0.300 40 F C 1.795 177.519 175.800 -0.126 0.000 1.083 40 F CA 0.865 58.803 58.000 -0.104 0.000 1.395 40 F CB -0.595 38.306 39.000 -0.166 0.000 1.056 40 F HN 0.550 nan 8.300 nan 0.000 0.529 41 K N 0.596 120.214 120.400 -1.304 0.000 2.218 41 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 41 K C 1.921 178.372 176.600 -0.249 0.000 1.046 41 K CA 1.573 57.300 56.287 -0.933 0.000 0.933 41 K CB -0.548 31.529 32.500 -0.706 0.000 0.728 41 K HN 0.385 nan 8.250 nan 0.000 0.454 42 I N 1.586 122.065 120.570 -0.152 0.000 2.567 42 I HA -0.230 3.940 4.170 -0.000 0.000 0.257 42 I C 1.805 177.964 176.117 0.071 0.000 1.184 42 I CA 1.146 62.444 61.300 -0.004 0.000 1.451 42 I CB -0.099 37.920 38.000 0.031 0.000 1.089 42 I HN 0.050 nan 8.210 nan 0.000 0.441 43 R N 0.063 120.595 120.500 0.053 0.000 2.109 43 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 43 R C 2.333 178.694 176.300 0.101 0.000 1.132 43 R CA 1.701 57.797 56.100 -0.006 0.000 0.907 43 R CB -1.411 28.881 30.300 -0.014 0.000 0.825 43 R HN 0.474 nan 8.270 nan 0.000 0.432 44 G N 1.281 110.239 108.800 0.264 0.000 2.418 44 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 44 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 44 G C 1.414 176.321 174.900 0.013 0.000 1.158 44 G CA 0.505 45.590 45.100 -0.025 0.000 0.771 44 G HN 0.078 nan 8.290 nan 0.000 0.545 45 I N 1.787 122.385 120.570 0.047 0.000 2.202 45 I HA -0.070 4.099 4.170 -0.000 0.000 0.242 45 I C 3.059 179.159 176.117 -0.028 0.000 1.091 45 I CA 1.426 62.718 61.300 -0.013 0.000 1.368 45 I CB -1.582 36.400 38.000 -0.031 0.000 1.058 45 I HN 0.233 nan 8.210 nan 0.000 0.410 46 G N -0.189 108.624 108.800 0.022 0.000 2.418 46 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 46 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 46 G C 1.643 176.567 174.900 0.042 0.000 1.158 46 G CA 1.270 46.386 45.100 0.028 0.000 0.771 46 G HN 0.434 nan 8.290 nan 0.000 0.545 47 H N 0.116 119.193 119.070 0.012 0.000 2.290 47 H HA 0.013 4.568 4.556 -0.000 0.000 0.298 47 H C 2.341 177.663 175.328 -0.009 0.000 1.087 47 H CA 1.415 57.470 56.048 0.011 0.000 1.291 47 H CB -0.292 29.464 29.762 -0.010 0.000 1.369 47 H HN 0.157 nan 8.280 nan 0.000 0.492 48 L N -0.055 121.103 121.223 -0.110 0.000 2.046 48 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 48 L C 2.196 179.024 176.870 -0.071 0.000 1.077 48 L CA 1.768 56.532 54.840 -0.126 0.000 0.747 48 L CB -1.284 40.742 42.059 -0.054 0.000 0.896 48 L HN 0.518 nan 8.230 nan 0.000 0.432 49 C N 0.031 119.285 119.300 -0.077 0.000 2.453 49 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 49 C C 2.831 177.836 174.990 0.025 0.000 1.262 49 C CA 1.089 60.069 59.018 -0.063 0.000 1.718 49 C CB -0.672 26.769 27.740 -0.499 0.000 2.031 49 C HN 0.510 nan 8.230 nan 0.000 0.480 50 K N 0.108 120.466 120.400 -0.070 0.000 2.097 50 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 50 K C 2.012 178.580 176.600 -0.053 0.000 1.049 50 K CA 1.557 57.815 56.287 -0.049 0.000 0.933 50 K CB -0.244 32.221 32.500 -0.058 0.000 0.717 50 K HN 0.278 nan 8.250 nan 0.000 0.442 51 M N 1.232 120.753 119.600 -0.132 0.000 2.067 51 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 51 M C 1.757 178.036 176.300 -0.034 0.000 1.069 51 M CA 1.674 56.898 55.300 -0.126 0.000 1.117 51 M CB -0.052 32.417 32.600 -0.217 0.000 1.334 51 M HN -0.049 nan 8.290 nan 0.000 0.407 52 K N -0.112 120.300 120.400 0.021 0.000 2.057 52 K HA -0.011 4.308 4.320 -0.000 0.000 0.207 52 K C 2.054 178.676 176.600 0.035 0.000 1.049 52 K CA 1.511 57.824 56.287 0.043 0.000 0.931 52 K CB -1.050 31.514 32.500 0.107 0.000 0.714 52 K HN 0.443 nan 8.250 nan 0.000 0.440 53 A N 1.620 124.510 122.820 0.117 0.000 1.883 53 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 53 A C 2.192 179.788 177.584 0.020 0.000 1.186 53 A CA 2.080 54.169 52.037 0.086 0.000 0.624 53 A CB -0.414 18.666 19.000 0.134 0.000 0.822 53 A HN 0.189 nan 8.150 nan 0.000 0.444 54 K N -0.134 120.272 120.400 0.011 0.000 2.103 54 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 54 K C 1.904 178.499 176.600 -0.007 0.000 1.048 54 K CA 1.660 57.946 56.287 -0.003 0.000 0.930 54 K CB -0.204 32.289 32.500 -0.011 0.000 0.716 54 K HN 0.667 nan 8.250 nan 0.000 0.444 55 Q N -1.064 118.730 119.800 -0.010 0.000 2.431 55 Q HA 0.119 4.458 4.340 -0.000 0.000 0.210 55 Q C 0.535 176.525 176.000 -0.017 0.000 0.958 55 Q CA 0.501 56.296 55.803 -0.013 0.000 0.957 55 Q CB 0.506 29.236 28.738 -0.015 0.000 1.007 55 Q HN 0.515 nan 8.270 nan 0.000 0.511 56 G N 0.654 109.442 108.800 -0.020 0.000 2.175 56 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.244 56 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.244 56 G C 0.342 175.214 174.900 -0.047 0.000 0.982 56 G CA -0.156 44.930 45.100 -0.024 0.000 0.641 56 G HN 0.488 nan 8.290 nan 0.000 0.527 57 C N 1.621 120.868 119.300 -0.087 0.000 2.597 57 C HA 0.487 4.947 4.460 -0.000 0.000 0.412 57 C C 1.827 176.693 174.990 -0.207 0.000 1.348 57 C CA 1.265 60.167 59.018 -0.194 0.000 1.769 57 C CB 0.121 27.639 27.740 -0.370 0.000 2.641 57 C HN 0.712 nan 8.230 nan 0.000 0.612 58 K N 2.785 123.061 120.400 -0.206 0.000 2.438 58 K HA 0.286 4.606 4.320 -0.000 0.000 0.206 58 K C -0.043 176.396 176.600 -0.269 0.000 1.081 58 K CA -0.114 56.081 56.287 -0.153 0.000 1.053 58 K CB 0.197 32.698 32.500 0.002 0.000 0.908 58 K HN 0.895 nan 8.250 nan 0.000 0.556 59 H N -0.586 118.079 119.070 -0.675 0.000 3.151 59 H HA 0.304 4.859 4.556 -0.000 0.000 0.333 59 H C -1.793 172.978 175.328 -0.927 0.000 1.093 59 H CA -0.757 54.744 56.048 -0.912 0.000 1.342 59 H CB 0.998 29.719 29.762 -1.735 0.000 1.983 59 H HN -0.038 nan 8.280 nan 0.000 0.503 60 F N 3.847 123.687 119.950 -0.182 0.000 2.422 60 F HA 0.582 5.109 4.527 -0.000 0.000 0.333 60 F C -0.352 175.476 175.800 0.046 0.000 1.095 60 F CA -0.688 57.280 58.000 -0.053 0.000 1.038 60 F CB 1.707 40.663 39.000 -0.074 0.000 1.156 60 F HN 0.165 nan 8.300 nan 0.000 0.483 61 V N 2.276 122.364 119.914 0.290 0.000 2.709 61 V HA 0.538 4.657 4.120 -0.000 0.000 0.308 61 V C -0.991 175.324 176.094 0.368 0.000 1.062 61 V CA -0.840 61.641 62.300 0.302 0.000 0.901 61 V CB 1.947 33.968 31.823 0.329 0.000 1.003 61 V HN 0.967 nan 8.190 nan 0.000 0.425 62 C N 3.166 122.644 119.300 0.296 0.000 2.888 62 C HA 0.688 5.148 4.460 -0.000 0.000 0.308 62 C C 0.913 176.062 174.990 0.265 0.000 1.213 62 C CA 0.223 59.382 59.018 0.234 0.000 1.461 62 C CB 1.904 29.703 27.740 0.099 0.000 1.934 62 C HN 1.057 nan 8.230 nan 0.000 0.474 63 S N 2.187 118.060 115.700 0.289 0.000 2.588 63 S HA 0.368 4.838 4.470 -0.000 0.000 0.245 63 S C -0.134 174.540 174.600 0.124 0.000 1.021 63 S CA -0.233 58.099 58.200 0.220 0.000 1.006 63 S CB -0.133 63.236 63.200 0.281 0.000 0.830 63 S HN 0.682 nan 8.310 nan 0.000 0.468 64 S N 1.092 116.847 115.700 0.092 0.000 2.473 64 S HA 0.720 5.190 4.470 -0.000 0.000 0.307 64 S C 0.762 175.393 174.600 0.051 0.000 1.094 64 S CA -0.429 57.807 58.200 0.060 0.000 1.070 64 S CB 1.667 64.896 63.200 0.049 0.000 1.019 64 S HN 0.538 nan 8.310 nan 0.000 0.480 65 A N 2.704 125.550 122.820 0.043 0.000 2.218 65 A HA 0.441 4.761 4.320 -0.000 0.000 0.209 65 A C 1.232 178.833 177.584 0.028 0.000 1.168 65 A CA 0.605 52.665 52.037 0.037 0.000 0.804 65 A CB -0.429 18.592 19.000 0.035 0.000 0.834 65 A HN 0.783 nan 8.150 nan 0.000 0.482 66 G N -0.542 108.273 108.800 0.025 0.000 2.783 66 G HA2 0.155 4.115 3.960 -0.000 0.000 0.182 66 G HA3 0.155 4.115 3.960 -0.000 0.000 0.182 66 G C 0.723 175.625 174.900 0.002 0.000 1.516 66 G CA 0.100 45.211 45.100 0.017 0.000 1.079 66 G HN 0.244 nan 8.290 nan 0.000 0.573 67 N N 0.524 119.218 118.700 -0.011 0.000 2.149 67 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 67 N C 2.378 177.852 175.510 -0.061 0.000 1.019 67 N CA 1.368 54.390 53.050 -0.046 0.000 0.857 67 N CB -0.458 37.985 38.487 -0.073 0.000 0.997 67 N HN 0.420 nan 8.380 nan 0.000 0.426 68 A N 0.885 123.681 122.820 -0.040 0.000 1.877 68 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 68 A C 2.440 180.012 177.584 -0.019 0.000 1.186 68 A CA 1.968 53.985 52.037 -0.033 0.000 0.620 68 A CB -1.183 17.818 19.000 0.002 0.000 0.822 68 A HN 0.365 nan 8.150 nan 0.000 0.443 69 G N -1.085 107.716 108.800 0.001 0.000 2.402 69 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 69 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 69 G C 1.536 176.441 174.900 0.008 0.000 1.162 69 G CA 1.194 46.303 45.100 0.015 0.000 0.777 69 G HN 0.308 nan 8.290 nan 0.000 0.539 70 M N 1.277 120.878 119.600 0.001 0.000 2.080 70 M HA -0.027 4.453 4.480 -0.000 0.000 0.260 70 M C 3.041 179.349 176.300 0.013 0.000 1.068 70 M CA 1.470 56.772 55.300 0.004 0.000 1.109 70 M CB -1.289 31.301 32.600 -0.017 0.000 1.342 70 M HN 0.327 nan 8.290 nan 0.000 0.405 71 A N -0.237 122.572 122.820 -0.018 0.000 1.883 71 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 71 A C 2.321 179.898 177.584 -0.012 0.000 1.186 71 A CA 2.445 54.477 52.037 -0.009 0.000 0.624 71 A CB -1.192 17.772 19.000 -0.059 0.000 0.822 71 A HN 0.505 nan 8.150 nan 0.000 0.444 72 T N 0.319 114.843 114.554 -0.050 0.000 2.674 72 T HA -0.036 4.314 4.350 -0.000 0.000 0.265 72 T C 2.260 176.888 174.700 -0.120 0.000 1.039 72 T CA 1.766 63.796 62.100 -0.117 0.000 1.150 72 T CB -0.564 68.268 68.868 -0.059 0.000 0.864 72 T HN 0.621 nan 8.240 nan 0.000 0.427 73 A N 0.634 123.433 122.820 -0.035 0.000 1.883 73 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 73 A C 2.128 179.697 177.584 -0.025 0.000 1.186 73 A CA 1.873 53.897 52.037 -0.022 0.000 0.624 73 A CB -1.117 17.894 19.000 0.018 0.000 0.822 73 A HN 0.608 nan 8.150 nan 0.000 0.444 74 Y N 0.555 120.798 120.300 -0.094 0.000 2.145 74 Y HA -0.069 4.481 4.550 -0.000 0.000 0.286 74 Y C 2.652 178.482 175.900 -0.117 0.000 1.145 74 Y CA 1.278 59.327 58.100 -0.086 0.000 1.148 74 Y CB -0.594 37.827 38.460 -0.066 0.000 0.981 74 Y HN 0.308 nan 8.280 nan 0.000 0.507 75 A N 0.634 123.341 122.820 -0.190 0.000 1.877 75 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 75 A C 2.455 179.798 177.584 -0.402 0.000 1.186 75 A CA 2.077 53.918 52.037 -0.326 0.000 0.620 75 A CB -1.586 17.233 19.000 -0.301 0.000 0.822 75 A HN 0.624 nan 8.150 nan 0.000 0.443 76 A N -0.409 122.169 122.820 -0.404 0.000 1.865 76 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 76 A C 2.272 179.739 177.584 -0.195 0.000 1.191 76 A CA 1.904 53.774 52.037 -0.280 0.000 0.623 76 A CB -0.603 18.303 19.000 -0.156 0.000 0.826 76 A HN 0.540 nan 8.150 nan 0.000 0.444 77 R N -0.921 119.450 120.500 -0.215 0.000 2.096 77 R HA -0.174 4.165 4.340 -0.000 0.000 0.240 77 R C 2.381 178.540 176.300 -0.235 0.000 1.139 77 R CA 1.643 57.627 56.100 -0.194 0.000 0.952 77 R CB -0.209 29.984 30.300 -0.179 0.000 0.854 77 R HN 0.371 nan 8.270 nan 0.000 0.436 78 R N 0.345 120.617 120.500 -0.381 0.000 2.120 78 R HA -0.092 4.247 4.340 -0.000 0.000 0.234 78 R C 2.030 178.210 176.300 -0.200 0.000 1.123 78 R CA 0.982 56.876 56.100 -0.344 0.000 0.975 78 R CB -0.440 29.550 30.300 -0.517 0.000 0.866 78 R HN 0.341 nan 8.270 nan 0.000 0.446 79 L N 0.113 121.232 121.223 -0.174 0.000 2.612 79 L HA 0.177 4.517 4.340 -0.000 0.000 0.230 79 L C 0.840 177.678 176.870 -0.053 0.000 1.140 79 L CA 0.303 55.091 54.840 -0.087 0.000 0.896 79 L CB -0.128 41.905 42.059 -0.044 0.000 1.065 79 L HN 0.315 nan 8.230 nan 0.000 0.447 80 G N 0.876 109.628 108.800 -0.079 0.000 2.249 80 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 80 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 80 G C -0.104 174.765 174.900 -0.052 0.000 1.036 80 G CA 0.250 45.313 45.100 -0.062 0.000 0.824 80 G HN 0.292 nan 8.290 nan 0.000 0.504 81 L N -0.732 120.463 121.223 -0.047 0.000 2.323 81 L HA 0.606 4.946 4.340 -0.000 0.000 0.265 81 L C -2.160 174.630 176.870 -0.133 0.000 1.012 81 L CA -2.712 52.094 54.840 -0.057 0.000 0.820 81 L CB 2.285 44.382 42.059 0.063 0.000 1.334 81 L HN -0.137 nan 8.230 nan 0.000 0.427 82 P HA 0.373 nan 4.420 nan 0.000 0.274 82 P C -1.454 175.500 177.300 -0.577 0.000 1.237 82 P CA -0.353 62.437 63.100 -0.516 0.000 0.793 82 P CB 1.064 32.255 31.700 -0.849 0.000 0.977 83 A N 0.870 123.477 122.820 -0.355 0.000 2.455 83 A HA 0.695 5.015 4.320 -0.000 0.000 0.300 83 A C -0.978 176.641 177.584 0.058 0.000 1.040 83 A CA -0.349 51.633 52.037 -0.091 0.000 0.697 83 A CB 1.068 20.055 19.000 -0.022 0.000 1.265 83 A HN 0.391 nan 8.150 nan 0.000 0.407 84 T N 3.334 118.003 114.554 0.192 0.000 2.840 84 T HA 0.516 4.865 4.350 -0.000 0.000 0.287 84 T C -0.523 174.270 174.700 0.155 0.000 0.991 84 T CA -0.268 61.948 62.100 0.193 0.000 0.964 84 T CB 0.633 69.643 68.868 0.237 0.000 0.954 84 T HN 0.450 nan 8.240 nan 0.000 0.438 85 I N 3.668 124.310 120.570 0.121 0.000 2.354 85 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 85 I C -0.034 176.147 176.117 0.106 0.000 0.989 85 I CA -0.944 60.423 61.300 0.112 0.000 1.188 85 I CB 1.411 39.460 38.000 0.082 0.000 1.342 85 I HN 0.308 nan 8.210 nan 0.000 0.457 86 V N 7.136 127.120 119.914 0.116 0.000 2.370 86 V HA 0.507 4.626 4.120 -0.000 0.000 0.279 86 V C 0.170 176.311 176.094 0.078 0.000 1.029 86 V CA -0.609 61.746 62.300 0.093 0.000 0.870 86 V CB 1.783 33.660 31.823 0.091 0.000 0.984 86 V HN 0.594 nan 8.190 nan 0.000 0.451 87 V N 3.905 123.855 119.914 0.060 0.000 2.962 87 V HA 0.797 4.917 4.120 -0.000 0.000 0.313 87 V C -2.713 173.404 176.094 0.038 0.000 1.099 87 V CA -2.535 59.794 62.300 0.049 0.000 0.971 87 V CB 2.435 34.285 31.823 0.045 0.000 1.028 87 V HN 0.635 nan 8.190 nan 0.000 0.430 88 P HA 0.171 nan 4.420 nan 0.000 0.274 88 P C 0.912 178.226 177.300 0.024 0.000 1.237 88 P CA 0.356 63.471 63.100 0.025 0.000 0.793 88 P CB 1.356 33.069 31.700 0.021 0.000 0.977 89 S N -0.110 115.603 115.700 0.020 0.000 2.469 89 S HA -0.111 4.359 4.470 -0.000 0.000 0.238 89 S C 1.200 175.811 174.600 0.018 0.000 0.998 89 S CA 1.405 59.616 58.200 0.019 0.000 0.957 89 S CB -1.702 61.507 63.200 0.016 0.000 0.764 89 S HN 0.637 nan 8.310 nan 0.000 0.514 90 T N 0.058 114.623 114.554 0.018 0.000 3.406 90 T HA 0.306 4.656 4.350 -0.000 0.000 0.244 90 T C 0.047 174.758 174.700 0.019 0.000 0.949 90 T CA -0.457 61.654 62.100 0.018 0.000 0.926 90 T CB -0.618 68.260 68.868 0.017 0.000 1.089 90 T HN 0.212 nan 8.240 nan 0.000 0.604 91 T N 3.740 118.307 114.554 0.021 0.000 2.859 91 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 91 T C -2.596 172.116 174.700 0.021 0.000 1.005 91 T CA -1.326 60.787 62.100 0.022 0.000 1.025 91 T CB 1.375 70.259 68.868 0.026 0.000 0.977 91 T HN 0.101 nan 8.240 nan 0.000 0.458 92 P HA 0.257 nan 4.420 nan 0.000 0.268 92 P C 0.536 177.847 177.300 0.019 0.000 1.204 92 P CA -0.275 62.836 63.100 0.018 0.000 0.768 92 P CB 0.460 32.170 31.700 0.017 0.000 0.842 93 A N 3.918 126.749 122.820 0.017 0.000 1.917 93 A HA -0.182 4.137 4.320 -0.000 0.000 0.219 93 A C 1.910 179.504 177.584 0.017 0.000 1.182 93 A CA 1.394 53.442 52.037 0.017 0.000 0.633 93 A CB -1.236 17.773 19.000 0.016 0.000 0.819 93 A HN 0.541 nan 8.150 nan 0.000 0.448 94 L N -0.148 121.085 121.223 0.016 0.000 2.131 94 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 94 L C 2.476 179.356 176.870 0.017 0.000 1.092 94 L CA 2.419 57.268 54.840 0.015 0.000 0.759 94 L CB -1.659 40.408 42.059 0.014 0.000 0.903 94 L HN 0.422 nan 8.230 nan 0.000 0.435 95 T N -0.348 114.217 114.554 0.018 0.000 2.857 95 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 95 T C 2.036 176.749 174.700 0.022 0.000 1.048 95 T CA 0.802 62.913 62.100 0.019 0.000 1.139 95 T CB 0.067 68.947 68.868 0.021 0.000 0.874 95 T HN 0.209 nan 8.240 nan 0.000 0.455 96 I N 0.962 121.546 120.570 0.023 0.000 2.315 96 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 96 I C 2.679 178.811 176.117 0.025 0.000 1.117 96 I CA 1.000 62.316 61.300 0.026 0.000 1.404 96 I CB -0.254 37.762 38.000 0.027 0.000 1.071 96 I HN 0.128 nan 8.210 nan 0.000 0.419 97 E N 0.704 120.917 120.200 0.021 0.000 2.077 97 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 97 E C 2.200 178.811 176.600 0.020 0.000 0.989 97 E CA 0.980 57.392 56.400 0.020 0.000 0.800 97 E CB -0.307 29.403 29.700 0.017 0.000 0.746 97 E HN 0.393 nan 8.360 nan 0.000 0.452 98 R N 0.064 120.575 120.500 0.019 0.000 2.091 98 R HA -0.156 4.184 4.340 -0.000 0.000 0.238 98 R C 2.295 178.607 176.300 0.021 0.000 1.136 98 R CA 0.920 57.031 56.100 0.017 0.000 0.959 98 R CB -0.184 30.124 30.300 0.014 0.000 0.856 98 R HN 0.075 nan 8.270 nan 0.000 0.437 99 L N 1.149 122.387 121.223 0.024 0.000 1.994 99 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 99 L C 2.087 178.974 176.870 0.028 0.000 1.071 99 L CA 1.845 56.702 54.840 0.028 0.000 0.745 99 L CB -0.643 41.435 42.059 0.032 0.000 0.892 99 L HN 0.062 nan 8.230 nan 0.000 0.431 100 K N -0.617 119.800 120.400 0.027 0.000 2.103 100 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 100 K C 1.565 178.178 176.600 0.022 0.000 1.048 100 K CA 1.211 57.514 56.287 0.025 0.000 0.930 100 K CB -0.173 32.342 32.500 0.025 0.000 0.716 100 K HN 0.300 nan 8.250 nan 0.000 0.444 101 N N 1.092 119.805 118.700 0.022 0.000 2.609 101 N HA -0.096 4.644 4.740 -0.000 0.000 0.190 101 N C 0.563 176.090 175.510 0.028 0.000 1.157 101 N CA 0.763 53.826 53.050 0.022 0.000 0.918 101 N CB 0.217 38.716 38.487 0.021 0.000 0.978 101 N HN 0.203 nan 8.380 nan 0.000 0.448 102 E N -0.567 119.652 120.200 0.031 0.000 2.476 102 E HA 0.161 4.511 4.350 -0.000 0.000 0.196 102 E C 0.890 177.501 176.600 0.017 0.000 1.029 102 E CA -0.172 56.254 56.400 0.043 0.000 0.896 102 E CB 0.196 29.932 29.700 0.059 0.000 1.012 102 E HN 0.323 nan 8.360 nan 0.000 0.475 103 G N 1.250 110.055 108.800 0.009 0.000 2.141 103 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.242 103 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.242 103 G C 0.481 175.375 174.900 -0.010 0.000 0.982 103 G CA 0.258 45.355 45.100 -0.006 0.000 0.662 103 G HN 0.483 nan 8.290 nan 0.000 0.527 104 A N -0.375 122.448 122.820 0.004 0.000 2.279 104 A HA 0.816 5.136 4.320 -0.000 0.000 0.303 104 A C 0.560 178.163 177.584 0.031 0.000 1.108 104 A CA 0.627 52.670 52.037 0.011 0.000 0.830 104 A CB 0.775 19.788 19.000 0.022 0.000 1.106 104 A HN 0.657 nan 8.150 nan 0.000 0.493 105 T N 1.078 115.663 114.554 0.052 0.000 2.806 105 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 105 T C -0.443 174.305 174.700 0.080 0.000 0.966 105 T CA -0.104 62.041 62.100 0.075 0.000 1.060 105 T CB 0.798 69.736 68.868 0.116 0.000 0.927 105 T HN 0.407 nan 8.240 nan 0.000 0.485 106 V N 3.572 123.527 119.914 0.068 0.000 2.378 106 V HA 0.371 4.490 4.120 -0.000 0.000 0.288 106 V C -0.034 176.100 176.094 0.066 0.000 1.016 106 V CA -0.813 61.527 62.300 0.066 0.000 0.840 106 V CB 1.536 33.390 31.823 0.051 0.000 0.994 106 V HN 0.757 nan 8.190 nan 0.000 0.431 107 E N 3.734 123.977 120.200 0.073 0.000 2.014 107 E HA 0.375 4.725 4.350 -0.000 0.000 0.275 107 E C -0.720 175.911 176.600 0.052 0.000 0.997 107 E CA -0.175 56.264 56.400 0.065 0.000 0.804 107 E CB 1.258 31.003 29.700 0.075 0.000 1.090 107 E HN 0.482 nan 8.360 nan 0.000 0.401 108 V N 5.772 125.711 119.914 0.042 0.000 2.389 108 V HA 0.155 4.275 4.120 -0.000 0.000 0.264 108 V C 0.580 176.691 176.094 0.029 0.000 1.049 108 V CA -0.244 62.077 62.300 0.035 0.000 0.932 108 V CB 0.867 32.708 31.823 0.030 0.000 1.011 108 V HN 0.514 nan 8.190 nan 0.000 0.475 109 V N 5.003 124.934 119.914 0.028 0.000 3.859 109 V HA 0.746 4.865 4.120 -0.000 0.000 0.277 109 V C 1.295 177.400 176.094 0.017 0.000 1.173 109 V CA 0.485 62.797 62.300 0.021 0.000 0.872 109 V CB 1.716 33.551 31.823 0.020 0.000 1.240 109 V HN 0.862 nan 8.190 nan 0.000 0.437 110 G N -0.433 108.375 108.800 0.013 0.000 2.489 110 G HA2 0.157 4.116 3.960 -0.000 0.000 0.271 110 G HA3 0.157 4.116 3.960 -0.000 0.000 0.271 110 G C 0.536 175.443 174.900 0.013 0.000 1.427 110 G CA 0.559 45.666 45.100 0.011 0.000 1.057 110 G HN 0.877 nan 8.290 nan 0.000 0.532 111 E N -1.637 118.569 120.200 0.011 0.000 2.340 111 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 111 E C 0.932 177.539 176.600 0.011 0.000 0.996 111 E CA 0.034 56.442 56.400 0.012 0.000 0.869 111 E CB 0.007 29.714 29.700 0.011 0.000 0.835 111 E HN 0.309 nan 8.360 nan 0.000 0.493 112 M N 1.765 121.370 119.600 0.009 0.000 2.194 112 M HA 0.074 4.554 4.480 -0.000 0.000 0.347 112 M C 0.133 176.437 176.300 0.006 0.000 1.439 112 M CA -0.531 54.773 55.300 0.007 0.000 1.131 112 M CB 1.092 33.695 32.600 0.005 0.000 1.733 112 M HN 0.110 nan 8.290 nan 0.000 0.467 113 L N 2.612 123.838 121.223 0.005 0.000 2.089 113 L HA -0.272 4.068 4.340 -0.000 0.000 0.213 113 L C 1.887 178.757 176.870 -0.000 0.000 1.079 113 L CA 1.903 56.745 54.840 0.003 0.000 0.758 113 L CB -0.922 41.134 42.059 -0.005 0.000 0.891 113 L HN 0.680 nan 8.230 nan 0.000 0.433 114 D N -0.913 119.485 120.400 -0.003 0.000 2.182 114 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 114 D C 2.037 178.333 176.300 -0.007 0.000 0.986 114 D CA 1.084 55.081 54.000 -0.005 0.000 0.847 114 D CB 0.221 41.019 40.800 -0.003 0.000 0.942 114 D HN 0.534 nan 8.370 nan 0.000 0.467 115 E N 0.635 120.834 120.200 -0.003 0.000 2.031 115 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 115 E C 2.127 178.725 176.600 -0.004 0.000 0.994 115 E CA 0.949 57.346 56.400 -0.004 0.000 0.800 115 E CB 0.049 29.750 29.700 0.001 0.000 0.752 115 E HN 0.136 nan 8.360 nan 0.000 0.447 116 A N 1.137 123.961 122.820 0.007 0.000 1.883 116 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 116 A C 2.167 179.758 177.584 0.011 0.000 1.186 116 A CA 1.552 53.600 52.037 0.019 0.000 0.624 116 A CB -0.752 18.268 19.000 0.033 0.000 0.822 116 A HN 0.311 nan 8.150 nan 0.000 0.444 117 I N -0.475 120.098 120.570 0.005 0.000 2.179 117 I HA -0.326 3.844 4.170 -0.000 0.000 0.242 117 I C 2.824 178.884 176.117 -0.094 0.000 1.088 117 I CA 1.678 62.969 61.300 -0.015 0.000 1.357 117 I CB -0.547 37.458 38.000 0.007 0.000 1.051 117 I HN 0.471 nan 8.210 nan 0.000 0.409 118 Q N 0.123 119.884 119.800 -0.066 0.000 2.119 118 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 118 Q C 2.304 178.250 176.000 -0.091 0.000 0.972 118 Q CA 1.195 56.949 55.803 -0.082 0.000 0.847 118 Q CB -0.296 28.413 28.738 -0.049 0.000 0.903 118 Q HN 0.391 nan 8.270 nan 0.000 0.433 119 L N 1.171 122.357 121.223 -0.061 0.000 2.012 119 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 119 L C 2.235 179.066 176.870 -0.065 0.000 1.073 119 L CA 2.166 56.977 54.840 -0.049 0.000 0.748 119 L CB -0.968 41.081 42.059 -0.016 0.000 0.891 119 L HN 0.116 nan 8.230 nan 0.000 0.431 120 A N -0.427 122.343 122.820 -0.083 0.000 1.865 120 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 120 A C 2.360 179.792 177.584 -0.252 0.000 1.191 120 A CA 2.254 54.223 52.037 -0.114 0.000 0.623 120 A CB -0.619 18.302 19.000 -0.131 0.000 0.826 120 A HN 0.537 nan 8.150 nan 0.000 0.444 121 K N -0.507 119.655 120.400 -0.398 0.000 2.097 121 K HA -0.045 4.274 4.320 -0.000 0.000 0.206 121 K C 2.303 178.803 176.600 -0.168 0.000 1.049 121 K CA 1.021 57.097 56.287 -0.353 0.000 0.933 121 K CB -0.314 32.002 32.500 -0.306 0.000 0.717 121 K HN 0.465 nan 8.250 nan 0.000 0.442 122 A N 1.502 124.241 122.820 -0.136 0.000 1.902 122 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 122 A C 2.113 179.616 177.584 -0.136 0.000 1.181 122 A CA 1.207 53.176 52.037 -0.113 0.000 0.623 122 A CB -0.641 18.301 19.000 -0.097 0.000 0.818 122 A HN 0.156 nan 8.150 nan 0.000 0.443 123 L N -0.686 120.464 121.223 -0.123 0.000 2.079 123 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 123 L C 2.689 179.456 176.870 -0.171 0.000 1.081 123 L CA 1.899 56.628 54.840 -0.186 0.000 0.752 123 L CB -0.450 41.610 42.059 0.003 0.000 0.896 123 L HN 0.645 nan 8.230 nan 0.000 0.433 124 E N 0.742 120.941 120.200 -0.002 0.000 2.047 124 E HA -0.279 4.071 4.350 -0.000 0.000 0.191 124 E C 2.232 178.818 176.600 -0.025 0.000 0.987 124 E CA 1.265 57.715 56.400 0.084 0.000 0.799 124 E CB 0.072 29.835 29.700 0.105 0.000 0.752 124 E HN 0.318 nan 8.360 nan 0.000 0.449 125 K N 0.100 120.460 120.400 -0.067 0.000 2.148 125 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 125 K C 1.607 178.135 176.600 -0.119 0.000 1.050 125 K CA 1.496 57.739 56.287 -0.073 0.000 0.942 125 K CB 0.036 32.496 32.500 -0.067 0.000 0.724 125 K HN 0.010 nan 8.250 nan 0.000 0.446 126 N N 0.531 119.122 118.700 -0.182 0.000 2.463 126 N HA 0.009 4.749 4.740 -0.000 0.000 0.181 126 N C -0.870 174.451 175.510 -0.315 0.000 1.078 126 N CA 0.318 53.235 53.050 -0.222 0.000 0.902 126 N CB 0.330 38.679 38.487 -0.230 0.000 0.970 126 N HN 0.135 nan 8.380 nan 0.000 0.451 127 N N 0.557 118.997 118.700 -0.433 0.000 2.442 127 N HA 0.287 5.026 4.740 -0.000 0.000 0.274 127 N C -2.865 172.474 175.510 -0.286 0.000 1.002 127 N CA -1.289 51.410 53.050 -0.585 0.000 0.910 127 N CB 1.927 39.513 38.487 -1.501 0.000 1.244 127 N HN -0.080 nan 8.380 nan 0.000 0.492 128 P HA 0.100 nan 4.420 nan 0.000 0.263 128 P C 0.933 178.301 177.300 0.114 0.000 1.195 128 P CA 0.720 63.816 63.100 -0.007 0.000 0.762 128 P CB 0.449 32.140 31.700 -0.015 0.000 0.799 129 G N 1.203 110.079 108.800 0.127 0.000 2.195 129 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 129 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 129 G C -0.494 174.523 174.900 0.195 0.000 0.984 129 G CA -0.742 44.443 45.100 0.141 0.000 0.633 129 G HN 0.332 nan 8.290 nan 0.000 0.525 130 W N 0.555 121.804 121.300 -0.084 0.000 2.287 130 W HA 0.616 5.275 4.660 -0.000 0.000 0.313 130 W C 0.248 176.722 176.519 -0.075 0.000 1.267 130 W CA -0.697 56.594 57.345 -0.090 0.000 1.201 130 W CB 1.288 30.694 29.460 -0.090 0.000 1.196 130 W HN 0.134 nan 8.180 nan 0.000 0.536 131 V N 4.917 124.837 119.914 0.010 0.000 2.448 131 V HA 0.214 4.334 4.120 -0.000 0.000 0.295 131 V C -0.898 175.327 176.094 0.219 0.000 1.025 131 V CA -1.476 60.861 62.300 0.062 0.000 0.859 131 V CB 1.207 32.988 31.823 -0.071 0.000 0.988 131 V HN 0.372 nan 8.190 nan 0.000 0.431 132 Y N 5.477 125.843 120.300 0.110 0.000 2.383 132 Y HA 0.469 5.019 4.550 -0.000 0.000 0.344 132 Y C 0.050 176.027 175.900 0.128 0.000 0.986 132 Y CA -0.918 57.258 58.100 0.127 0.000 1.175 132 Y CB 0.759 39.284 38.460 0.108 0.000 1.152 132 Y HN 0.443 nan 8.280 nan 0.000 0.511 133 I N 6.238 126.739 120.570 -0.116 0.000 2.308 133 I HA 0.057 4.226 4.170 -0.000 0.000 0.293 133 I C 0.042 175.865 176.117 -0.490 0.000 1.078 133 I CA 0.241 61.426 61.300 -0.191 0.000 1.292 133 I CB 0.455 38.432 38.000 -0.038 0.000 1.423 133 I HN 0.550 nan 8.210 nan 0.000 0.493 134 S N 8.786 124.210 115.700 -0.460 0.000 2.653 134 S HA 0.456 4.926 4.470 -0.000 0.000 0.272 134 S C -1.690 172.889 174.600 -0.034 0.000 1.221 134 S CA -1.224 56.756 58.200 -0.365 0.000 1.149 134 S CB 1.070 63.994 63.200 -0.459 0.000 1.029 134 S HN 0.268 nan 8.310 nan 0.000 0.481 135 P HA -0.024 nan 4.420 nan 0.000 0.222 135 P C 1.004 178.554 177.300 0.416 0.000 1.147 135 P CA 0.527 63.765 63.100 0.231 0.000 0.790 135 P CB 0.011 31.846 31.700 0.225 0.000 0.780 136 F N 1.474 121.534 119.950 0.185 0.000 2.216 136 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 136 F C 0.657 176.633 175.800 0.293 0.000 1.085 136 F CA 1.672 59.796 58.000 0.207 0.000 1.326 136 F CB 0.063 39.145 39.000 0.137 0.000 1.027 136 F HN 0.004 nan 8.300 nan 0.000 0.497 137 D N -2.881 117.694 120.400 0.291 0.000 2.538 137 D HA 0.084 4.724 4.640 -0.000 0.000 0.241 137 D C -0.612 175.717 176.300 0.048 0.000 1.297 137 D CA -0.233 53.882 54.000 0.191 0.000 0.804 137 D CB -0.586 40.333 40.800 0.199 0.000 1.122 137 D HN 0.033 nan 8.370 nan 0.000 0.519 138 D N 1.901 122.253 120.400 -0.080 0.000 2.467 138 D HA 0.158 4.797 4.640 -0.000 0.000 0.220 138 D C -1.351 174.384 176.300 -0.941 0.000 1.103 138 D CA -2.282 51.518 54.000 -0.334 0.000 0.886 138 D CB 1.838 42.510 40.800 -0.212 0.000 1.025 138 D HN -0.096 nan 8.370 nan 0.000 0.514 139 P HA -0.162 nan 4.420 nan 0.000 0.223 139 P C 1.563 178.236 177.300 -1.044 0.000 1.144 139 P CA 0.206 62.117 63.100 -1.983 0.000 0.783 139 P CB 0.605 31.679 31.700 -1.043 0.000 0.771 140 L N -0.525 120.328 121.223 -0.617 0.000 2.131 140 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 140 L C 2.671 179.351 176.870 -0.316 0.000 1.092 140 L CA 1.441 56.083 54.840 -0.331 0.000 0.759 140 L CB -1.220 40.722 42.059 -0.195 0.000 0.903 140 L HN -0.083 nan 8.230 nan 0.000 0.435 141 I N -1.985 118.320 120.570 -0.441 0.000 2.202 141 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 141 I C 2.171 178.037 176.117 -0.418 0.000 1.091 141 I CA 0.923 62.022 61.300 -0.334 0.000 1.368 141 I CB -0.466 37.407 38.000 -0.213 0.000 1.058 141 I HN 0.351 nan 8.210 nan 0.000 0.410 142 W N 1.477 122.604 121.300 -0.289 0.000 2.358 142 W HA -0.132 4.528 4.660 -0.000 0.000 0.303 142 W C 2.353 178.736 176.519 -0.227 0.000 1.208 142 W CA 0.587 57.769 57.345 -0.272 0.000 1.274 142 W CB -1.571 27.859 29.460 -0.049 0.000 1.138 142 W HN 0.244 nan 8.180 nan 0.000 0.515 143 E N -0.138 120.062 120.200 0.001 0.000 2.209 143 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 143 E C 2.472 179.011 176.600 -0.101 0.000 0.993 143 E CA 1.284 57.667 56.400 -0.028 0.000 0.819 143 E CB -0.632 29.029 29.700 -0.065 0.000 0.745 143 E HN 0.292 nan 8.360 nan 0.000 0.477 144 G N 0.133 108.831 108.800 -0.171 0.000 2.534 144 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 144 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 144 G C 1.065 175.917 174.900 -0.081 0.000 1.128 144 G CA 0.323 45.313 45.100 -0.183 0.000 0.784 144 G HN 0.260 nan 8.290 nan 0.000 0.542 145 H N -0.127 118.962 119.070 0.033 0.000 2.529 145 H HA 0.036 4.592 4.556 -0.000 0.000 0.277 145 H C 2.637 177.959 175.328 -0.009 0.000 0.999 145 H CA 0.961 57.046 56.048 0.063 0.000 1.256 145 H CB -0.621 29.263 29.762 0.202 0.000 1.402 145 H HN 0.184 nan 8.280 nan 0.000 0.566 146 T N 0.912 115.509 114.554 0.072 0.000 2.751 146 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 146 T C 2.311 176.995 174.700 -0.028 0.000 1.045 146 T CA 1.944 64.046 62.100 0.005 0.000 1.142 146 T CB -0.213 68.632 68.868 -0.039 0.000 0.851 146 T HN 0.663 nan 8.240 nan 0.000 0.474 147 S N 0.998 116.661 115.700 -0.061 0.000 2.402 147 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 147 S C 1.961 176.556 174.600 -0.009 0.000 1.030 147 S CA 1.385 59.552 58.200 -0.055 0.000 1.003 147 S CB -0.871 62.237 63.200 -0.153 0.000 0.813 147 S HN 0.603 nan 8.310 nan 0.000 0.477 148 L N 1.166 122.388 121.223 -0.002 0.000 1.989 148 L HA -0.098 4.241 4.340 -0.000 0.000 0.211 148 L C 2.508 179.393 176.870 0.024 0.000 1.071 148 L CA 1.728 56.584 54.840 0.026 0.000 0.749 148 L CB -0.428 41.644 42.059 0.022 0.000 0.890 148 L HN 0.259 nan 8.230 nan 0.000 0.431 149 V N -0.112 119.805 119.914 0.004 0.000 2.427 149 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 149 V C 2.472 178.514 176.094 -0.087 0.000 1.051 149 V CA 1.888 64.181 62.300 -0.011 0.000 1.048 149 V CB -0.576 31.232 31.823 -0.025 0.000 0.666 149 V HN 0.448 nan 8.190 nan 0.000 0.456 150 K N -0.100 120.249 120.400 -0.085 0.000 2.097 150 K HA -0.213 4.107 4.320 -0.000 0.000 0.206 150 K C 2.132 178.693 176.600 -0.065 0.000 1.049 150 K CA 1.657 57.878 56.287 -0.110 0.000 0.933 150 K CB -0.160 32.298 32.500 -0.070 0.000 0.717 150 K HN 0.543 nan 8.250 nan 0.000 0.442 151 E N 0.820 121.017 120.200 -0.006 0.000 2.072 151 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 151 E C 1.995 178.620 176.600 0.042 0.000 0.985 151 E CA 0.824 57.241 56.400 0.027 0.000 0.801 151 E CB -0.009 29.725 29.700 0.058 0.000 0.750 151 E HN 0.212 nan 8.360 nan 0.000 0.452 152 L N 0.820 122.083 121.223 0.068 0.000 2.046 152 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 152 L C 2.512 179.514 176.870 0.220 0.000 1.077 152 L CA 1.075 56.020 54.840 0.175 0.000 0.747 152 L CB -0.407 41.825 42.059 0.288 0.000 0.896 152 L HN 0.054 nan 8.230 nan 0.000 0.432 153 K N 1.332 121.708 120.400 -0.040 0.000 2.032 153 K HA -0.235 4.084 4.320 -0.000 0.000 0.209 153 K C 1.897 178.507 176.600 0.017 0.000 1.048 153 K CA 2.030 58.190 56.287 -0.211 0.000 0.927 153 K CB -0.175 31.999 32.500 -0.543 0.000 0.712 153 K HN 0.560 nan 8.250 nan 0.000 0.441 154 E N -1.681 118.517 120.200 -0.002 0.000 2.427 154 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 154 E C 1.087 177.715 176.600 0.047 0.000 1.028 154 E CA 1.236 57.648 56.400 0.019 0.000 0.864 154 E CB 0.045 29.746 29.700 0.000 0.000 0.813 154 E HN 0.162 nan 8.360 nan 0.000 0.514 155 T N 0.826 115.421 114.554 0.069 0.000 3.004 155 T HA 0.197 4.546 4.350 -0.000 0.000 0.243 155 T C 0.686 175.426 174.700 0.066 0.000 1.020 155 T CA -0.138 61.991 62.100 0.049 0.000 1.145 155 T CB 0.080 68.963 68.868 0.024 0.000 0.876 155 T HN 0.029 nan 8.240 nan 0.000 0.449 156 L N 2.671 123.981 121.223 0.144 0.000 2.416 156 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 156 L C 1.818 178.785 176.870 0.162 0.000 1.161 156 L CA -0.429 54.505 54.840 0.157 0.000 0.845 156 L CB 0.989 43.193 42.059 0.241 0.000 1.119 156 L HN 0.298 nan 8.230 nan 0.000 0.464 157 S N 1.629 117.395 115.700 0.110 0.000 2.395 157 S HA 0.105 4.574 4.470 -0.000 0.000 0.225 157 S C 0.673 175.333 174.600 0.099 0.000 1.027 157 S CA 0.294 58.551 58.200 0.095 0.000 0.965 157 S CB 0.120 63.359 63.200 0.065 0.000 0.812 157 S HN 0.676 nan 8.310 nan 0.000 0.482 158 A N 1.788 124.650 122.820 0.069 0.000 2.386 158 A HA 0.618 4.938 4.320 -0.000 0.000 0.311 158 A C -0.325 177.164 177.584 -0.157 0.000 1.068 158 A CA -1.139 50.896 52.037 -0.004 0.000 0.743 158 A CB 0.988 19.975 19.000 -0.022 0.000 1.258 158 A HN 0.491 nan 8.150 nan 0.000 0.429 159 K N 3.172 123.350 120.400 -0.368 0.000 2.489 159 K HA 0.221 4.541 4.320 -0.000 0.000 0.278 159 K C -2.227 173.990 176.600 -0.638 0.000 1.000 159 K CA -0.600 55.056 56.287 -1.053 0.000 1.012 159 K CB 0.133 31.796 32.500 -1.396 0.000 0.903 159 K HN 0.422 nan 8.250 nan 0.000 0.485 160 P HA -0.048 nan 4.420 nan 0.000 0.268 160 P C 0.518 177.663 177.300 -0.260 0.000 1.208 160 P CA -0.015 62.897 63.100 -0.313 0.000 0.777 160 P CB 0.893 32.466 31.700 -0.211 0.000 0.875 161 G N 1.008 109.689 108.800 -0.197 0.000 2.422 161 G HA2 0.211 4.171 3.960 -0.000 0.000 0.218 161 G HA3 0.211 4.171 3.960 -0.000 0.000 0.218 161 G C 0.440 175.265 174.900 -0.126 0.000 1.140 161 G CA 0.917 45.922 45.100 -0.159 0.000 0.775 161 G HN 0.928 nan 8.290 nan 0.000 0.545 162 A N -1.274 121.476 122.820 -0.116 0.000 2.586 162 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 162 A C -1.952 175.603 177.584 -0.047 0.000 1.062 162 A CA -0.479 51.517 52.037 -0.067 0.000 0.666 162 A CB 1.210 20.157 19.000 -0.089 0.000 1.281 162 A HN 0.361 nan 8.150 nan 0.000 0.421 163 I N 1.877 122.447 120.570 -0.000 0.000 2.468 163 I HA 0.515 4.684 4.170 -0.000 0.000 0.285 163 I C -1.298 174.817 176.117 -0.003 0.000 1.039 163 I CA -0.563 60.742 61.300 0.009 0.000 1.074 163 I CB 1.287 39.321 38.000 0.057 0.000 1.228 163 I HN 0.383 nan 8.210 nan 0.000 0.436 164 V N 8.326 128.218 119.914 -0.036 0.000 2.432 164 V HA 0.445 4.564 4.120 -0.000 0.000 0.275 164 V C -0.089 175.963 176.094 -0.070 0.000 1.043 164 V CA -0.425 61.843 62.300 -0.054 0.000 0.925 164 V CB 1.345 33.118 31.823 -0.083 0.000 0.985 164 V HN 0.610 nan 8.190 nan 0.000 0.466 165 L N 2.862 124.041 121.223 -0.074 0.000 2.415 165 L HA 0.776 5.116 4.340 -0.000 0.000 0.256 165 L C -0.316 176.488 176.870 -0.111 0.000 1.010 165 L CA -0.711 54.061 54.840 -0.114 0.000 0.826 165 L CB 2.056 44.032 42.059 -0.138 0.000 1.405 165 L HN 0.353 nan 8.230 nan 0.000 0.410 166 S N 0.526 116.145 115.700 -0.134 0.000 2.411 166 S HA 0.429 4.898 4.470 -0.000 0.000 0.294 166 S C 1.179 175.713 174.600 -0.110 0.000 1.115 166 S CA -0.447 57.689 58.200 -0.107 0.000 1.071 166 S CB 0.551 63.695 63.200 -0.093 0.000 0.967 166 S HN 0.575 nan 8.310 nan 0.000 0.488 167 V N 6.118 125.980 119.914 -0.086 0.000 2.278 167 V HA -0.093 4.026 4.120 -0.000 0.000 0.251 167 V C 2.224 178.287 176.094 -0.053 0.000 1.062 167 V CA 2.007 64.258 62.300 -0.081 0.000 1.038 167 V CB -2.093 29.686 31.823 -0.073 0.000 0.646 167 V HN 1.255 nan 8.190 nan 0.000 0.447 168 G N -0.226 108.560 108.800 -0.024 0.000 2.611 168 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.301 168 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.301 168 G C 0.926 175.848 174.900 0.037 0.000 1.233 168 G CA 0.312 45.427 45.100 0.024 0.000 0.993 168 G HN 1.093 nan 8.290 nan 0.000 0.553 169 G N -0.375 108.473 108.800 0.079 0.000 2.650 169 G HA2 0.459 4.419 3.960 -0.000 0.000 0.214 169 G HA3 0.459 4.419 3.960 -0.000 0.000 0.214 169 G C 1.763 176.671 174.900 0.014 0.000 1.136 169 G CA 1.850 47.006 45.100 0.093 0.000 0.789 169 G HN 2.559 nan 8.290 nan 0.000 0.536 170 G N -0.956 107.825 108.800 -0.032 0.000 2.391 170 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.204 170 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.204 170 G C 1.501 176.290 174.900 -0.184 0.000 1.012 170 G CA 0.650 45.663 45.100 -0.144 0.000 0.651 170 G HN 0.982 nan 8.290 nan 0.000 0.494 171 G N 1.005 109.764 108.800 -0.068 0.000 2.513 171 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.219 171 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.219 171 G C 1.818 176.837 174.900 0.199 0.000 1.160 171 G CA 1.938 47.096 45.100 0.096 0.000 0.767 171 G HN 1.140 nan 8.290 nan 0.000 0.571 172 L N 0.087 121.329 121.223 0.033 0.000 2.012 172 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 172 L C 2.590 179.350 176.870 -0.184 0.000 1.073 172 L CA 1.835 56.475 54.840 -0.334 0.000 0.748 172 L CB -0.645 40.927 42.059 -0.810 0.000 0.891 172 L HN 0.236 nan 8.230 nan 0.000 0.431 173 L N -0.695 120.437 121.223 -0.152 0.000 1.970 173 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 173 L C 2.571 179.378 176.870 -0.104 0.000 1.071 173 L CA 2.247 57.014 54.840 -0.121 0.000 0.751 173 L CB -1.142 40.851 42.059 -0.110 0.000 0.889 173 L HN 0.421 nan 8.230 nan 0.000 0.432 174 C N 0.153 119.375 119.300 -0.130 0.000 2.413 174 C HA -0.120 4.340 4.460 -0.000 0.000 0.276 174 C C 2.779 177.780 174.990 0.018 0.000 1.236 174 C CA 0.778 59.732 59.018 -0.106 0.000 1.735 174 C CB -2.115 25.452 27.740 -0.289 0.000 2.031 174 C HN 0.784 nan 8.230 nan 0.000 0.474 175 G N -0.067 108.798 108.800 0.108 0.000 2.432 175 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 175 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 175 G C 1.649 176.578 174.900 0.049 0.000 1.135 175 G CA 1.179 46.375 45.100 0.159 0.000 0.767 175 G HN 0.422 nan 8.290 nan 0.000 0.550 176 V N 0.701 120.604 119.914 -0.017 0.000 2.358 176 V HA -0.150 3.969 4.120 -0.000 0.000 0.246 176 V C 3.028 179.067 176.094 -0.092 0.000 1.047 176 V CA 1.677 63.947 62.300 -0.050 0.000 1.035 176 V CB 0.050 31.828 31.823 -0.075 0.000 0.658 176 V HN 0.368 nan 8.190 nan 0.000 0.452 177 V N -0.914 118.903 119.914 -0.161 0.000 2.453 177 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 177 V C 2.139 178.143 176.094 -0.150 0.000 1.048 177 V CA 2.021 64.133 62.300 -0.314 0.000 1.049 177 V CB -0.518 31.049 31.823 -0.427 0.000 0.672 177 V HN 0.579 nan 8.190 nan 0.000 0.457 178 Q N 0.674 120.438 119.800 -0.061 0.000 2.170 178 Q HA -0.012 4.327 4.340 -0.000 0.000 0.203 178 Q C 2.264 178.249 176.000 -0.024 0.000 0.976 178 Q CA 1.790 57.584 55.803 -0.014 0.000 0.858 178 Q CB -0.542 28.215 28.738 0.033 0.000 0.907 178 Q HN 0.786 nan 8.270 nan 0.000 0.433 179 G N 0.206 108.989 108.800 -0.029 0.000 2.396 179 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.214 179 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.214 179 G C 1.257 176.124 174.900 -0.055 0.000 1.166 179 G CA 0.135 45.209 45.100 -0.043 0.000 0.793 179 G HN 0.148 nan 8.290 nan 0.000 0.533 180 L N 0.743 121.955 121.223 -0.020 0.000 2.079 180 L HA -0.006 4.334 4.340 -0.000 0.000 0.210 180 L C 2.914 179.813 176.870 0.049 0.000 1.081 180 L CA 1.401 56.278 54.840 0.062 0.000 0.752 180 L CB -0.683 41.435 42.059 0.098 0.000 0.896 180 L HN 0.183 nan 8.230 nan 0.000 0.433 181 R N -0.326 120.184 120.500 0.017 0.000 2.061 181 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 181 R C 1.993 178.285 176.300 -0.013 0.000 1.140 181 R CA 1.581 57.698 56.100 0.029 0.000 0.940 181 R CB -0.439 29.876 30.300 0.025 0.000 0.839 181 R HN 0.569 nan 8.270 nan 0.000 0.429 182 E N 0.405 120.580 120.200 -0.041 0.000 2.333 182 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 182 E C 1.546 178.075 176.600 -0.118 0.000 1.007 182 E CA 0.916 57.279 56.400 -0.063 0.000 0.845 182 E CB -0.040 29.625 29.700 -0.058 0.000 0.766 182 E HN 0.130 nan 8.360 nan 0.000 0.507 183 V N 0.559 120.361 119.914 -0.187 0.000 3.506 183 V HA 0.123 4.243 4.120 -0.000 0.000 0.263 183 V C 1.456 177.320 176.094 -0.382 0.000 1.203 183 V CA 1.007 63.087 62.300 -0.367 0.000 1.133 183 V CB 0.226 31.685 31.823 -0.606 0.000 0.802 183 V HN 0.602 nan 8.190 nan 0.000 0.459 184 G N -1.024 107.683 108.800 -0.155 0.000 2.141 184 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 184 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 184 G C -0.018 175.011 174.900 0.215 0.000 0.984 184 G CA 0.043 45.142 45.100 -0.002 0.000 0.660 184 G HN 0.444 nan 8.290 nan 0.000 0.525 185 W N 2.220 123.548 121.300 0.046 0.000 2.817 185 W HA 0.379 5.039 4.660 -0.000 0.000 0.433 185 W C 1.472 178.049 176.519 0.096 0.000 0.838 185 W CA -0.425 56.955 57.345 0.058 0.000 2.356 185 W CB -0.306 29.188 29.460 0.057 0.000 1.216 185 W HN 0.551 nan 8.180 nan 0.000 0.793 186 E N 0.572 120.939 120.200 0.279 0.000 2.393 186 E HA -0.227 4.123 4.350 -0.000 0.000 0.201 186 E C 0.691 177.394 176.600 0.171 0.000 1.025 186 E CA 1.690 58.239 56.400 0.248 0.000 0.856 186 E CB -0.388 29.404 29.700 0.154 0.000 0.771 186 E HN 0.333 nan 8.360 nan 0.000 0.526 187 D N 0.630 121.100 120.400 0.116 0.000 2.398 187 D HA 0.026 4.666 4.640 -0.000 0.000 0.210 187 D C 0.435 176.727 176.300 -0.013 0.000 1.094 187 D CA -0.362 53.633 54.000 -0.008 0.000 0.839 187 D CB -0.107 40.689 40.800 -0.006 0.000 0.963 187 D HN -0.045 nan 8.370 nan 0.000 0.506 188 V N 3.882 123.848 119.914 0.086 0.000 2.446 188 V HA 0.164 4.284 4.120 -0.000 0.000 0.276 188 V C -1.850 174.315 176.094 0.118 0.000 1.030 188 V CA -1.052 61.289 62.300 0.067 0.000 1.033 188 V CB 0.515 32.393 31.823 0.092 0.000 0.993 188 V HN 0.135 nan 8.190 nan 0.000 0.477 189 P HA 0.245 nan 4.420 nan 0.000 0.271 189 P C -0.639 176.781 177.300 0.200 0.000 1.216 189 P CA -0.020 63.166 63.100 0.144 0.000 0.776 189 P CB 1.088 32.930 31.700 0.236 0.000 0.881 190 I N 3.861 124.588 120.570 0.261 0.000 2.362 190 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 190 I C 0.603 176.855 176.117 0.223 0.000 0.994 190 I CA -0.882 60.541 61.300 0.206 0.000 1.158 190 I CB 1.259 39.375 38.000 0.192 0.000 1.315 190 I HN 0.136 nan 8.210 nan 0.000 0.451 191 I N 6.378 127.026 120.570 0.130 0.000 2.269 191 I HA 0.279 4.449 4.170 -0.000 0.000 0.293 191 I C 0.629 176.781 176.117 0.059 0.000 1.106 191 I CA -0.240 61.127 61.300 0.110 0.000 1.248 191 I CB 0.859 38.854 38.000 -0.009 0.000 1.444 191 I HN 0.598 nan 8.210 nan 0.000 0.497 192 A N 8.567 131.439 122.820 0.086 0.000 2.415 192 A HA 0.560 4.880 4.320 -0.000 0.000 0.309 192 A C 0.197 177.775 177.584 -0.010 0.000 1.356 192 A CA -0.483 51.568 52.037 0.023 0.000 0.998 192 A CB 0.054 19.074 19.000 0.033 0.000 1.145 192 A HN 0.561 nan 8.150 nan 0.000 0.545 193 M N 2.271 121.844 119.600 -0.044 0.000 2.274 193 M HA 0.447 4.926 4.480 -0.000 0.000 0.344 193 M C 0.395 176.646 176.300 -0.081 0.000 1.161 193 M CA 0.098 55.356 55.300 -0.069 0.000 1.126 193 M CB 0.569 33.120 32.600 -0.081 0.000 1.522 193 M HN 0.898 nan 8.290 nan 0.000 0.461 194 E N 0.178 120.316 120.200 -0.104 0.000 2.437 194 E HA 0.600 4.949 4.350 -0.000 0.000 0.280 194 E C -1.478 175.028 176.600 -0.156 0.000 1.044 194 E CA -0.902 55.439 56.400 -0.099 0.000 0.826 194 E CB 1.352 31.008 29.700 -0.073 0.000 1.358 194 E HN 0.584 nan 8.360 nan 0.000 0.459 195 T N -0.753 113.726 114.554 -0.124 0.000 2.943 195 T HA 0.551 4.900 4.350 -0.000 0.000 0.284 195 T C -0.047 174.592 174.700 -0.101 0.000 1.015 195 T CA -0.730 61.265 62.100 -0.174 0.000 1.042 195 T CB 0.363 69.182 68.868 -0.081 0.000 1.055 195 T HN 0.287 nan 8.240 nan 0.000 0.500 196 F N 1.094 121.041 119.950 -0.005 0.000 2.553 196 F HA 0.484 5.011 4.527 -0.000 0.000 0.356 196 F C 1.431 177.220 175.800 -0.017 0.000 1.142 196 F CA 0.259 58.252 58.000 -0.012 0.000 1.322 196 F CB -0.031 38.955 39.000 -0.023 0.000 1.126 196 F HN 0.955 nan 8.300 nan 0.000 0.599 197 G N 0.267 109.190 108.800 0.205 0.000 2.828 197 G HA2 0.543 4.503 3.960 -0.000 0.000 0.244 197 G HA3 0.543 4.503 3.960 -0.000 0.000 0.244 197 G C 0.287 175.172 174.900 -0.025 0.000 1.365 197 G CA -0.176 44.972 45.100 0.080 0.000 1.041 197 G HN 0.777 nan 8.290 nan 0.000 0.560 198 A N -1.720 120.996 122.820 -0.173 0.000 2.063 198 A HA 0.408 4.728 4.320 -0.000 0.000 0.211 198 A C 0.719 177.977 177.584 -0.543 0.000 1.177 198 A CA 0.600 52.397 52.037 -0.399 0.000 0.759 198 A CB -0.139 18.515 19.000 -0.577 0.000 0.857 198 A HN 0.632 nan 8.150 nan 0.000 0.468 199 H N -0.742 118.282 119.070 -0.076 0.000 2.679 199 H HA 0.647 5.203 4.556 -0.000 0.000 0.367 199 H C -0.294 174.919 175.328 -0.191 0.000 1.162 199 H CA -0.119 55.834 56.048 -0.159 0.000 1.181 199 H CB 1.854 31.489 29.762 -0.211 0.000 1.693 199 H HN 0.266 nan 8.280 nan 0.000 0.538 200 S N 0.785 116.399 115.700 -0.144 0.000 2.667 200 S HA 0.690 5.160 4.470 -0.000 0.000 0.292 200 S C -1.084 173.285 174.600 -0.386 0.000 1.126 200 S CA -0.969 57.141 58.200 -0.150 0.000 0.881 200 S CB 1.407 64.596 63.200 -0.020 0.000 1.132 200 S HN 0.347 nan 8.310 nan 0.000 0.492 201 F N 0.002 119.943 119.950 -0.015 0.000 2.497 201 F HA 0.471 4.997 4.527 -0.000 0.000 0.331 201 F C 0.503 176.270 175.800 -0.055 0.000 1.060 201 F CA -0.908 57.079 58.000 -0.021 0.000 0.989 201 F CB 0.696 39.734 39.000 0.063 0.000 1.245 201 F HN 0.594 nan 8.300 nan 0.000 0.486 202 H N 0.687 119.892 119.070 0.226 0.000 3.004 202 H HA 0.365 4.921 4.556 -0.000 0.000 0.316 202 H C 0.329 175.737 175.328 0.134 0.000 1.014 202 H CA -0.067 56.064 56.048 0.138 0.000 1.454 202 H CB -0.124 29.705 29.762 0.112 0.000 1.472 202 H HN 0.729 nan 8.280 nan 0.000 0.571 203 A N 2.737 125.670 122.820 0.187 0.000 2.504 203 A HA 0.491 4.811 4.320 -0.000 0.000 0.242 203 A C 0.536 178.218 177.584 0.164 0.000 1.100 203 A CA 0.369 52.496 52.037 0.150 0.000 0.786 203 A CB -0.090 18.979 19.000 0.115 0.000 1.050 203 A HN 0.860 nan 8.150 nan 0.000 0.512 204 A N -0.923 121.991 122.820 0.156 0.000 2.486 204 A HA 0.689 5.009 4.320 -0.000 0.000 0.289 204 A C -0.094 177.591 177.584 0.168 0.000 1.176 204 A CA 0.087 52.229 52.037 0.174 0.000 0.757 204 A CB 0.739 19.875 19.000 0.228 0.000 1.337 204 A HN 2.224 nan 8.150 nan 0.000 0.423 205 V N -0.624 119.396 119.914 0.176 0.000 2.546 205 V HA 0.635 4.755 4.120 -0.000 0.000 0.284 205 V C 0.266 176.495 176.094 0.225 0.000 1.050 205 V CA 0.092 62.483 62.300 0.152 0.000 0.981 205 V CB 0.916 32.806 31.823 0.112 0.000 0.990 205 V HN 1.120 nan 8.190 nan 0.000 0.474 206 K N 2.524 123.000 120.400 0.127 0.000 4.487 206 K HA 0.405 4.725 4.320 -0.000 0.000 0.281 206 K C -0.061 176.563 176.600 0.041 0.000 1.137 206 K CA -0.019 56.316 56.287 0.081 0.000 1.838 206 K CB 0.787 33.200 32.500 -0.145 0.000 3.041 206 K HN 0.882 nan 8.250 nan 0.000 0.759 207 E N 0.447 120.625 120.200 -0.037 0.000 2.261 207 E HA 0.345 4.694 4.350 -0.000 0.000 0.239 207 E C 0.099 176.688 176.600 -0.019 0.000 0.991 207 E CA -0.153 56.228 56.400 -0.032 0.000 0.847 207 E CB 1.281 30.937 29.700 -0.073 0.000 1.223 207 E HN 0.817 nan 8.360 nan 0.000 0.446 208 G N 3.495 112.297 108.800 0.004 0.000 3.038 208 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.197 208 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.197 208 G C 0.255 175.169 174.900 0.023 0.000 1.925 208 G CA 0.220 45.325 45.100 0.009 0.000 1.405 208 G HN 0.609 nan 8.290 nan 0.000 0.524 209 K N -0.761 119.656 120.400 0.027 0.000 1.684 209 K HA 0.643 4.963 4.320 -0.000 0.000 0.298 209 K C 0.135 176.769 176.600 0.056 0.000 0.860 209 K CA -0.122 56.191 56.287 0.043 0.000 0.413 209 K CB -0.252 32.271 32.500 0.038 0.000 3.134 209 K HN 1.222 nan 8.250 nan 0.000 1.114 210 L N 1.059 122.318 121.223 0.059 0.000 2.492 210 L HA 0.618 4.958 4.340 -0.000 0.000 0.280 210 L C 0.218 177.129 176.870 0.068 0.000 1.240 210 L CA -0.317 54.566 54.840 0.072 0.000 0.831 210 L CB 0.307 42.407 42.059 0.068 0.000 1.100 210 L HN 0.502 nan 8.230 nan 0.000 0.505 211 V N -0.091 119.877 119.914 0.090 0.000 2.885 211 V HA 0.290 4.410 4.120 -0.000 0.000 0.254 211 V C -0.524 175.643 176.094 0.122 0.000 1.772 211 V CA -0.230 62.132 62.300 0.104 0.000 0.915 211 V CB 2.025 33.907 31.823 0.098 0.000 1.342 211 V HN 1.207 nan 8.190 nan 0.000 0.459 212 T N 7.059 121.674 114.554 0.103 0.000 2.806 212 T HA 0.611 4.961 4.350 -0.000 0.000 0.290 212 T C 0.014 174.682 174.700 -0.055 0.000 0.966 212 T CA -0.207 61.928 62.100 0.058 0.000 1.060 212 T CB 0.784 69.689 68.868 0.062 0.000 0.927 212 T HN 0.574 nan 8.240 nan 0.000 0.485 213 L N 4.322 125.469 121.223 -0.128 0.000 2.453 213 L HA 0.350 4.689 4.340 -0.000 0.000 0.261 213 L C -2.084 174.568 176.870 -0.363 0.000 1.179 213 L CA -2.365 52.211 54.840 -0.441 0.000 0.813 213 L CB -0.068 41.838 42.059 -0.256 0.000 1.110 213 L HN 0.308 nan 8.230 nan 0.000 0.466 214 P HA -0.010 nan 4.420 nan 0.000 0.267 214 P C 0.266 177.472 177.300 -0.156 0.000 1.205 214 P CA -0.072 62.862 63.100 -0.276 0.000 0.765 214 P CB 0.573 32.094 31.700 -0.297 0.000 0.828 215 K N 3.973 124.344 120.400 -0.050 0.000 2.107 215 K HA -0.210 4.110 4.320 -0.000 0.000 0.211 215 K C 1.602 178.176 176.600 -0.043 0.000 1.049 215 K CA 1.586 57.893 56.287 0.032 0.000 0.927 215 K CB -0.318 32.250 32.500 0.113 0.000 0.714 215 K HN 0.369 nan 8.250 nan 0.000 0.452 216 I N 1.730 122.269 120.570 -0.052 0.000 2.381 216 I HA -0.268 3.902 4.170 -0.000 0.000 0.255 216 I C 2.268 178.317 176.117 -0.113 0.000 1.140 216 I CA 2.137 63.403 61.300 -0.057 0.000 1.404 216 I CB -1.129 36.836 38.000 -0.059 0.000 1.075 216 I HN 0.476 nan 8.210 nan 0.000 0.433 217 T N -4.234 110.227 114.554 -0.155 0.000 3.031 217 T HA 0.038 4.388 4.350 -0.000 0.000 0.254 217 T C 1.993 176.574 174.700 -0.198 0.000 1.060 217 T CA 0.782 62.788 62.100 -0.158 0.000 1.135 217 T CB -0.186 68.595 68.868 -0.145 0.000 0.896 217 T HN 0.106 nan 8.240 nan 0.000 0.472 218 S N 1.354 116.887 115.700 -0.279 0.000 2.383 218 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 218 S C 2.155 176.341 174.600 -0.691 0.000 1.030 218 S CA 1.228 59.159 58.200 -0.448 0.000 1.002 218 S CB -0.631 62.239 63.200 -0.550 0.000 0.829 218 S HN 0.475 nan 8.310 nan 0.000 0.467 219 V N 1.853 121.375 119.914 -0.654 0.000 2.323 219 V HA -0.048 4.072 4.120 -0.000 0.000 0.244 219 V C 2.286 178.264 176.094 -0.193 0.000 1.041 219 V CA 1.825 63.857 62.300 -0.447 0.000 1.025 219 V CB -1.051 30.655 31.823 -0.195 0.000 0.656 219 V HN 0.434 nan 8.190 nan 0.000 0.451 220 A N -0.135 122.602 122.820 -0.138 0.000 1.978 220 A HA -0.247 4.072 4.320 -0.000 0.000 0.220 220 A C 2.380 179.921 177.584 -0.070 0.000 1.170 220 A CA 2.258 54.250 52.037 -0.076 0.000 0.636 220 A CB -0.663 18.282 19.000 -0.091 0.000 0.810 220 A HN 0.684 nan 8.150 nan 0.000 0.448 221 K N -0.411 119.929 120.400 -0.101 0.000 2.031 221 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 221 K C 2.133 178.700 176.600 -0.055 0.000 1.049 221 K CA 1.058 57.305 56.287 -0.067 0.000 0.939 221 K CB -0.319 32.143 32.500 -0.063 0.000 0.717 221 K HN 0.333 nan 8.250 nan 0.000 0.438 222 A N 1.010 123.776 122.820 -0.090 0.000 2.019 222 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 222 A C 1.916 179.501 177.584 0.001 0.000 1.164 222 A CA 1.188 53.206 52.037 -0.031 0.000 0.644 222 A CB -0.336 18.646 19.000 -0.030 0.000 0.805 222 A HN 0.339 nan 8.150 nan 0.000 0.449 223 L N -1.867 119.353 121.223 -0.006 0.000 2.513 223 L HA 0.238 4.578 4.340 -0.000 0.000 0.222 223 L C 1.576 178.457 176.870 0.019 0.000 1.096 223 L CA 0.415 55.268 54.840 0.021 0.000 0.857 223 L CB -0.317 41.767 42.059 0.041 0.000 1.026 223 L HN 0.506 nan 8.230 nan 0.000 0.469 224 G N 1.779 110.581 108.800 0.004 0.000 2.323 224 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.292 224 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.292 224 G C -0.110 174.799 174.900 0.016 0.000 1.040 224 G CA 0.634 45.737 45.100 0.004 0.000 0.942 224 G HN 0.199 nan 8.290 nan 0.000 0.506 225 V N -0.593 119.334 119.914 0.022 0.000 2.975 225 V HA 0.688 4.808 4.120 -0.000 0.000 0.318 225 V C -0.072 176.035 176.094 0.020 0.000 1.077 225 V CA -1.390 60.932 62.300 0.038 0.000 1.000 225 V CB 1.616 33.483 31.823 0.073 0.000 1.066 225 V HN 0.268 nan 8.190 nan 0.000 0.452 226 N N 3.673 122.393 118.700 0.033 0.000 2.767 226 N HA 0.302 5.042 4.740 -0.000 0.000 0.238 226 N C -0.264 175.260 175.510 0.024 0.000 1.083 226 N CA 0.002 53.072 53.050 0.033 0.000 0.964 226 N CB 0.874 39.392 38.487 0.052 0.000 1.252 226 N HN 0.934 nan 8.380 nan 0.000 0.512 227 T N -3.571 110.944 114.554 -0.065 0.000 2.910 227 T HA 0.228 4.578 4.350 -0.000 0.000 0.287 227 T C 1.200 175.759 174.700 -0.235 0.000 1.050 227 T CA -0.721 61.228 62.100 -0.250 0.000 1.011 227 T CB 1.354 69.849 68.868 -0.621 0.000 1.195 227 T HN -0.050 nan 8.240 nan 0.000 0.540 228 V N 1.229 120.919 119.914 -0.373 0.000 2.568 228 V HA 0.029 4.149 4.120 -0.000 0.000 0.253 228 V C 2.328 178.101 176.094 -0.535 0.000 1.072 228 V CA 2.853 64.747 62.300 -0.676 0.000 1.084 228 V CB -1.286 30.171 31.823 -0.609 0.000 0.676 228 V HN 1.082 nan 8.190 nan 0.000 0.469 229 G N -0.949 107.607 108.800 -0.406 0.000 2.408 229 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 229 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 229 G C 1.755 176.539 174.900 -0.193 0.000 1.150 229 G CA 0.934 45.882 45.100 -0.253 0.000 0.776 229 G HN 0.750 nan 8.290 nan 0.000 0.542 230 A N 0.371 123.089 122.820 -0.170 0.000 1.898 230 A HA -0.076 4.243 4.320 -0.000 0.000 0.216 230 A C 2.307 179.841 177.584 -0.083 0.000 1.181 230 A CA 2.206 54.188 52.037 -0.091 0.000 0.620 230 A CB -0.488 18.482 19.000 -0.050 0.000 0.819 230 A HN 0.410 nan 8.150 nan 0.000 0.442 231 Q N -0.192 119.520 119.800 -0.147 0.000 2.170 231 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 231 Q C 1.872 177.783 176.000 -0.148 0.000 0.976 231 Q CA 2.490 58.205 55.803 -0.148 0.000 0.858 231 Q CB -0.822 27.693 28.738 -0.372 0.000 0.907 231 Q HN 0.569 nan 8.270 nan 0.000 0.433 232 T N 0.628 115.062 114.554 -0.201 0.000 2.812 232 T HA -0.089 4.260 4.350 -0.000 0.000 0.264 232 T C 1.520 176.219 174.700 -0.002 0.000 1.042 232 T CA 1.017 63.040 62.100 -0.129 0.000 1.140 232 T CB -0.302 68.461 68.868 -0.175 0.000 0.870 232 T HN 0.259 nan 8.240 nan 0.000 0.445 233 L N 1.680 122.904 121.223 0.002 0.000 2.017 233 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 233 L C 2.342 179.364 176.870 0.253 0.000 1.073 233 L CA 1.891 56.803 54.840 0.120 0.000 0.745 233 L CB -0.599 41.496 42.059 0.060 0.000 0.894 233 L HN 0.098 nan 8.230 nan 0.000 0.432 234 K N -0.986 119.494 120.400 0.133 0.000 2.009 234 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 234 K C 2.006 178.719 176.600 0.188 0.000 1.049 234 K CA 1.790 58.158 56.287 0.134 0.000 0.929 234 K CB -0.253 32.285 32.500 0.064 0.000 0.714 234 K HN 0.247 nan 8.250 nan 0.000 0.440 235 L N 0.738 122.041 121.223 0.134 0.000 2.265 235 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 235 L C 2.018 178.995 176.870 0.177 0.000 1.117 235 L CA 1.352 56.267 54.840 0.124 0.000 0.782 235 L CB -0.870 41.220 42.059 0.051 0.000 0.914 235 L HN 0.251 nan 8.230 nan 0.000 0.441 236 F N -1.759 118.217 119.950 0.044 0.000 2.333 236 F HA -0.276 4.251 4.527 -0.000 0.000 0.300 236 F C 1.829 177.532 175.800 -0.162 0.000 1.083 236 F CA 1.164 59.126 58.000 -0.063 0.000 1.395 236 F CB 0.076 39.008 39.000 -0.113 0.000 1.056 236 F HN 0.094 nan 8.300 nan 0.000 0.529 237 Y N -0.441 119.824 120.300 -0.059 0.000 2.509 237 Y HA 0.096 4.646 4.550 -0.000 0.000 0.270 237 Y C 1.774 177.608 175.900 -0.110 0.000 1.103 237 Y CA 0.482 58.494 58.100 -0.146 0.000 1.278 237 Y CB -0.114 38.319 38.460 -0.046 0.000 1.087 237 Y HN 0.038 nan 8.280 nan 0.000 0.542 238 E N -1.165 119.094 120.200 0.099 0.000 2.479 238 E HA 0.033 4.382 4.350 -0.000 0.000 0.193 238 E C -0.373 176.279 176.600 0.086 0.000 1.049 238 E CA 0.151 56.598 56.400 0.078 0.000 0.870 238 E CB 0.279 30.037 29.700 0.097 0.000 0.944 238 E HN 0.286 nan 8.360 nan 0.000 0.492 239 H N -0.274 118.745 119.070 -0.084 0.000 2.996 239 H HA 0.188 4.744 4.556 -0.000 0.000 0.368 239 H C -2.638 172.587 175.328 -0.171 0.000 1.185 239 H CA -2.257 53.740 56.048 -0.084 0.000 1.160 239 H CB 1.880 31.625 29.762 -0.029 0.000 1.820 239 H HN -0.236 nan 8.280 nan 0.000 0.547 240 P HA 0.126 nan 4.420 nan 0.000 0.266 240 P C -0.759 176.387 177.300 -0.258 0.000 1.419 240 P CA 0.581 63.402 63.100 -0.464 0.000 1.112 240 P CB -0.204 31.250 31.700 -0.410 0.000 1.438 241 I N 3.817 124.213 120.570 -0.291 0.000 2.433 241 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 241 I C -0.045 175.976 176.117 -0.161 0.000 1.001 241 I CA -1.022 60.252 61.300 -0.043 0.000 1.119 241 I CB 1.406 39.505 38.000 0.164 0.000 1.289 241 I HN 0.052 nan 8.210 nan 0.000 0.438 242 F N 4.113 124.114 119.950 0.085 0.000 2.332 242 F HA 0.255 4.782 4.527 -0.000 0.000 0.368 242 F C 0.820 176.693 175.800 0.122 0.000 1.110 242 F CA -0.428 57.624 58.000 0.088 0.000 1.087 242 F CB 1.561 40.574 39.000 0.021 0.000 1.235 242 F HN 0.293 nan 8.300 nan 0.000 0.470 243 S N 3.070 118.956 115.700 0.309 0.000 2.405 243 S HA 0.255 4.725 4.470 -0.000 0.000 0.291 243 S C -0.280 174.379 174.600 0.097 0.000 1.137 243 S CA -0.304 57.974 58.200 0.130 0.000 1.061 243 S CB -0.222 62.943 63.200 -0.060 0.000 1.001 243 S HN 0.538 nan 8.310 nan 0.000 0.507 244 E N 2.970 123.205 120.200 0.058 0.000 2.171 244 E HA 0.516 4.866 4.350 -0.000 0.000 0.271 244 E C -0.955 175.607 176.600 -0.063 0.000 0.916 244 E CA -0.472 55.938 56.400 0.016 0.000 0.774 244 E CB 1.839 31.543 29.700 0.008 0.000 1.128 244 E HN 0.407 nan 8.360 nan 0.000 0.403 245 V N 4.687 124.538 119.914 -0.105 0.000 2.713 245 V HA 0.654 4.774 4.120 -0.000 0.000 0.307 245 V C -0.688 175.113 176.094 -0.489 0.000 1.052 245 V CA -0.527 61.605 62.300 -0.279 0.000 0.967 245 V CB 1.418 33.105 31.823 -0.228 0.000 1.019 245 V HN 0.695 nan 8.190 nan 0.000 0.459 246 I N 3.509 123.672 120.570 -0.679 0.000 3.074 246 I HA 0.597 4.766 4.170 -0.000 0.000 0.310 246 I C 0.002 175.654 176.117 -0.775 0.000 1.153 246 I CA 0.056 60.990 61.300 -0.610 0.000 0.993 246 I CB 2.614 40.455 38.000 -0.264 0.000 1.237 246 I HN 0.799 nan 8.210 nan 0.000 0.443 247 S N 2.425 117.907 115.700 -0.364 0.000 2.632 247 S HA 0.303 4.773 4.470 -0.000 0.000 0.271 247 S C 0.451 175.048 174.600 -0.006 0.000 1.260 247 S CA -0.360 57.837 58.200 -0.006 0.000 1.010 247 S CB 1.000 64.357 63.200 0.262 0.000 0.965 247 S HN 0.584 nan 8.310 nan 0.000 0.534 248 D N 1.384 121.815 120.400 0.052 0.000 2.149 248 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 248 D C 1.916 178.227 176.300 0.019 0.000 0.990 248 D CA 1.599 55.615 54.000 0.025 0.000 0.839 248 D CB -0.294 40.530 40.800 0.040 0.000 0.948 248 D HN 0.640 nan 8.370 nan 0.000 0.460 249 Q N 0.648 120.469 119.800 0.034 0.000 2.020 249 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 249 Q C 2.111 178.116 176.000 0.009 0.000 0.982 249 Q CA 1.151 56.968 55.803 0.023 0.000 0.838 249 Q CB -0.212 28.546 28.738 0.033 0.000 0.899 249 Q HN 0.417 nan 8.270 nan 0.000 0.423 250 E N 0.099 120.305 120.200 0.011 0.000 2.110 250 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 250 E C 1.886 178.482 176.600 -0.007 0.000 0.988 250 E CA 0.929 57.331 56.400 0.002 0.000 0.804 250 E CB -0.204 29.496 29.700 -0.001 0.000 0.745 250 E HN 0.391 nan 8.360 nan 0.000 0.458 251 A N 0.874 123.684 122.820 -0.017 0.000 1.858 251 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 251 A C 2.513 180.091 177.584 -0.010 0.000 1.190 251 A CA 1.257 53.283 52.037 -0.018 0.000 0.617 251 A CB -0.690 18.292 19.000 -0.029 0.000 0.827 251 A HN 0.125 nan 8.150 nan 0.000 0.443 252 V N -0.034 119.875 119.914 -0.008 0.000 2.407 252 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 252 V C 2.677 178.758 176.094 -0.022 0.000 1.055 252 V CA 2.392 64.688 62.300 -0.007 0.000 1.049 252 V CB -1.359 30.463 31.823 -0.002 0.000 0.662 252 V HN 0.606 nan 8.190 nan 0.000 0.455 253 T N 0.458 114.992 114.554 -0.034 0.000 2.821 253 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 253 T C 2.112 176.732 174.700 -0.133 0.000 1.046 253 T CA 1.452 63.509 62.100 -0.071 0.000 1.139 253 T CB -0.400 68.430 68.868 -0.064 0.000 0.871 253 T HN 0.576 nan 8.240 nan 0.000 0.454 254 A N 1.414 124.182 122.820 -0.087 0.000 1.908 254 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 254 A C 2.281 179.847 177.584 -0.029 0.000 1.181 254 A CA 1.301 53.293 52.037 -0.074 0.000 0.627 254 A CB -0.860 18.199 19.000 0.099 0.000 0.818 254 A HN 0.511 nan 8.150 nan 0.000 0.445 255 I N -0.399 120.178 120.570 0.011 0.000 2.118 255 I HA -0.318 3.851 4.170 -0.000 0.000 0.241 255 I C 2.625 178.775 176.117 0.056 0.000 1.070 255 I CA 1.951 63.290 61.300 0.064 0.000 1.327 255 I CB -0.541 37.481 38.000 0.038 0.000 1.034 255 I HN 0.485 nan 8.210 nan 0.000 0.405 256 E N 0.832 121.021 120.200 -0.018 0.000 2.038 256 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 256 E C 2.203 178.761 176.600 -0.070 0.000 1.000 256 E CA 1.317 57.695 56.400 -0.037 0.000 0.803 256 E CB -0.161 29.504 29.700 -0.058 0.000 0.750 256 E HN 0.440 nan 8.360 nan 0.000 0.448 257 K N 0.106 120.386 120.400 -0.200 0.000 2.074 257 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 257 K C 2.037 178.596 176.600 -0.069 0.000 1.048 257 K CA 1.313 57.402 56.287 -0.330 0.000 0.926 257 K CB -0.268 31.609 32.500 -1.039 0.000 0.713 257 K HN 0.052 nan 8.250 nan 0.000 0.444 258 F N 0.856 120.751 119.950 -0.092 0.000 2.146 258 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 258 F C 2.142 177.979 175.800 0.062 0.000 1.096 258 F CA 0.804 58.882 58.000 0.129 0.000 1.275 258 F CB -0.425 38.685 39.000 0.183 0.000 1.008 258 F HN -0.233 nan 8.300 nan 0.000 0.480 259 V N -0.025 119.927 119.914 0.063 0.000 2.594 259 V HA -0.245 3.874 4.120 -0.000 0.000 0.253 259 V C 1.774 177.816 176.094 -0.086 0.000 1.069 259 V CA 2.498 64.774 62.300 -0.040 0.000 1.082 259 V CB -0.481 31.353 31.823 0.018 0.000 0.680 259 V HN 0.260 nan 8.190 nan 0.000 0.469 260 D N -0.326 120.038 120.400 -0.061 0.000 2.137 260 D HA -0.075 4.564 4.640 -0.000 0.000 0.202 260 D C 1.867 178.127 176.300 -0.067 0.000 0.970 260 D CA 1.301 55.267 54.000 -0.055 0.000 0.837 260 D CB -0.165 40.611 40.800 -0.039 0.000 0.981 260 D HN 0.480 nan 8.370 nan 0.000 0.475 261 D N 0.230 120.589 120.400 -0.068 0.000 2.120 261 D HA -0.073 4.566 4.640 -0.000 0.000 0.202 261 D C 1.406 177.609 176.300 -0.162 0.000 0.972 261 D CA 0.932 54.898 54.000 -0.057 0.000 0.837 261 D CB 0.078 40.918 40.800 0.067 0.000 0.989 261 D HN 0.101 nan 8.370 nan 0.000 0.469 262 E N -0.621 119.355 120.200 -0.375 0.000 2.526 262 E HA 0.108 4.458 4.350 -0.000 0.000 0.208 262 E C -0.327 176.071 176.600 -0.337 0.000 0.997 262 E CA -0.050 56.090 56.400 -0.435 0.000 0.961 262 E CB 0.411 29.623 29.700 -0.814 0.000 1.030 262 E HN -0.154 nan 8.360 nan 0.000 0.483 263 K N -0.021 120.221 120.400 -0.263 0.000 3.129 263 K HA -0.151 4.169 4.320 -0.000 0.000 0.273 263 K C -0.962 175.566 176.600 -0.121 0.000 1.123 263 K CA 0.489 56.687 56.287 -0.149 0.000 0.800 263 K CB -1.202 31.240 32.500 -0.097 0.000 1.238 263 K HN 0.140 nan 8.250 nan 0.000 0.492 264 I N 0.689 121.161 120.570 -0.163 0.000 2.465 264 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 264 I C -0.265 175.921 176.117 0.114 0.000 1.014 264 I CA -1.170 60.130 61.300 -0.000 0.000 1.093 264 I CB 1.491 39.550 38.000 0.098 0.000 1.267 264 I HN -0.036 nan 8.210 nan 0.000 0.431 265 L N 8.658 129.940 121.223 0.099 0.000 2.255 265 L HA 0.511 4.851 4.340 -0.000 0.000 0.289 265 L C -0.091 176.852 176.870 0.122 0.000 1.046 265 L CA -0.141 54.763 54.840 0.106 0.000 0.816 265 L CB 0.913 43.006 42.059 0.057 0.000 1.197 265 L HN 0.441 nan 8.230 nan 0.000 0.427 266 V N 1.673 121.675 119.914 0.147 0.000 3.096 266 V HA 0.658 4.778 4.120 -0.000 0.000 0.319 266 V C 0.107 176.237 176.094 0.060 0.000 1.103 266 V CA -0.910 61.450 62.300 0.100 0.000 1.016 266 V CB 1.518 33.391 31.823 0.083 0.000 1.090 266 V HN 0.749 nan 8.190 nan 0.000 0.449 267 E N 1.787 122.011 120.200 0.041 0.000 2.371 267 E HA 0.248 4.598 4.350 -0.000 0.000 0.257 267 E C -1.922 174.688 176.600 0.018 0.000 1.134 267 E CA -1.473 54.945 56.400 0.030 0.000 0.919 267 E CB 0.904 30.622 29.700 0.030 0.000 1.025 267 E HN 0.537 nan 8.360 nan 0.000 0.438 268 P HA -0.271 nan 4.420 nan 0.000 0.216 268 P C 0.981 178.278 177.300 -0.006 0.000 1.154 268 P CA 1.973 65.076 63.100 0.005 0.000 0.865 268 P CB 0.104 31.809 31.700 0.009 0.000 0.789 269 A N -1.118 121.703 122.820 0.001 0.000 1.883 269 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 269 A C 2.505 180.072 177.584 -0.028 0.000 1.186 269 A CA 2.049 54.081 52.037 -0.007 0.000 0.624 269 A CB -1.851 17.159 19.000 0.016 0.000 0.822 269 A HN 0.316 nan 8.150 nan 0.000 0.444 270 C N -0.518 118.766 119.300 -0.026 0.000 2.422 270 C HA 0.035 4.494 4.460 -0.000 0.000 0.279 270 C C 2.918 177.852 174.990 -0.095 0.000 1.305 270 C CA 0.970 59.949 59.018 -0.065 0.000 1.757 270 C CB -1.725 25.984 27.740 -0.052 0.000 1.962 270 C HN 0.646 nan 8.230 nan 0.000 0.499 271 G N 0.244 109.010 108.800 -0.057 0.000 2.440 271 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 271 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 271 G C 1.993 176.866 174.900 -0.045 0.000 1.154 271 G CA 1.214 46.289 45.100 -0.042 0.000 0.767 271 G HN 0.739 nan 8.290 nan 0.000 0.552 272 A N 1.335 124.123 122.820 -0.054 0.000 1.873 272 A HA 0.083 4.402 4.320 -0.000 0.000 0.218 272 A C 2.873 180.409 177.584 -0.079 0.000 1.193 272 A CA 2.821 54.817 52.037 -0.069 0.000 0.629 272 A CB -1.046 17.909 19.000 -0.074 0.000 0.826 272 A HN 0.960 nan 8.150 nan 0.000 0.447 273 A N -0.389 122.375 122.820 -0.094 0.000 1.865 273 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 273 A C 2.185 179.695 177.584 -0.124 0.000 1.191 273 A CA 1.670 53.639 52.037 -0.113 0.000 0.623 273 A CB -0.772 18.148 19.000 -0.134 0.000 0.826 273 A HN 0.503 nan 8.150 nan 0.000 0.444 274 L N -0.637 120.500 121.223 -0.144 0.000 2.127 274 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 274 L C 2.994 179.851 176.870 -0.022 0.000 1.089 274 L CA 0.937 55.692 54.840 -0.140 0.000 0.757 274 L CB -0.543 41.436 42.059 -0.133 0.000 0.899 274 L HN 0.447 nan 8.230 nan 0.000 0.434 275 A N 0.149 122.986 122.820 0.027 0.000 2.024 275 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 275 A C 2.567 180.144 177.584 -0.011 0.000 1.164 275 A CA 1.568 53.639 52.037 0.057 0.000 0.643 275 A CB -0.621 18.381 19.000 0.004 0.000 0.806 275 A HN 0.419 nan 8.150 nan 0.000 0.451 276 A N -0.467 122.314 122.820 -0.066 0.000 1.948 276 A HA -0.047 4.272 4.320 -0.000 0.000 0.220 276 A C 2.357 179.881 177.584 -0.101 0.000 1.177 276 A CA 2.349 54.334 52.037 -0.087 0.000 0.636 276 A CB -0.824 18.115 19.000 -0.102 0.000 0.815 276 A HN 1.267 nan 8.150 nan 0.000 0.449 277 V N -3.233 116.595 119.914 -0.145 0.000 2.690 277 V HA 0.009 4.128 4.120 -0.000 0.000 0.240 277 V C 2.034 178.053 176.094 -0.124 0.000 1.078 277 V CA 1.076 63.269 62.300 -0.178 0.000 1.102 277 V CB -0.901 30.756 31.823 -0.276 0.000 0.800 277 V HN 0.532 nan 8.190 nan 0.000 0.479 278 Y N 1.519 121.804 120.300 -0.025 0.000 2.256 278 Y HA -0.094 4.456 4.550 -0.000 0.000 0.288 278 Y C 2.373 178.264 175.900 -0.016 0.000 1.155 278 Y CA 1.661 59.755 58.100 -0.009 0.000 1.203 278 Y CB 0.025 38.486 38.460 0.001 0.000 0.980 278 Y HN 0.332 nan 8.280 nan 0.000 0.530 279 S N -0.727 115.042 115.700 0.116 0.000 2.583 279 S HA 0.224 4.694 4.470 -0.000 0.000 0.239 279 S C 1.115 175.726 174.600 0.018 0.000 0.966 279 S CA 0.400 58.635 58.200 0.059 0.000 0.973 279 S CB 0.121 63.342 63.200 0.035 0.000 0.794 279 S HN 0.619 nan 8.310 nan 0.000 0.463 280 G N 1.172 109.973 108.800 0.003 0.000 2.341 280 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.292 280 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.292 280 G C 0.714 175.589 174.900 -0.041 0.000 1.021 280 G CA 0.557 45.643 45.100 -0.023 0.000 0.905 280 G HN 0.441 nan 8.290 nan 0.000 0.508 281 V N 0.204 120.085 119.914 -0.054 0.000 2.283 281 V HA -0.214 3.905 4.120 -0.000 0.000 0.243 281 V C 3.065 179.097 176.094 -0.102 0.000 1.039 281 V CA 2.304 64.563 62.300 -0.069 0.000 1.016 281 V CB -0.699 31.081 31.823 -0.071 0.000 0.650 281 V HN 0.855 nan 8.190 nan 0.000 0.449 282 V N -1.355 118.487 119.914 -0.119 0.000 2.282 282 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 282 V C 2.350 178.362 176.094 -0.137 0.000 1.057 282 V CA 2.327 64.536 62.300 -0.151 0.000 1.032 282 V CB -1.945 29.790 31.823 -0.147 0.000 0.645 282 V HN 0.552 nan 8.190 nan 0.000 0.447 283 C N 0.003 119.241 119.300 -0.103 0.000 2.413 283 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 283 C C 2.940 177.883 174.990 -0.079 0.000 1.228 283 C CA 1.574 60.541 59.018 -0.085 0.000 1.731 283 C CB -1.475 26.228 27.740 -0.062 0.000 2.042 283 C HN 0.601 nan 8.230 nan 0.000 0.468 284 R N 0.690 121.149 120.500 -0.069 0.000 2.103 284 R HA -0.127 4.212 4.340 -0.000 0.000 0.242 284 R C 2.035 178.291 176.300 -0.074 0.000 1.142 284 R CA 1.561 57.628 56.100 -0.055 0.000 0.960 284 R CB -0.586 29.691 30.300 -0.039 0.000 0.858 284 R HN 0.571 nan 8.270 nan 0.000 0.439 285 L N 0.244 121.395 121.223 -0.120 0.000 2.141 285 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 285 L C 2.593 179.370 176.870 -0.155 0.000 1.094 285 L CA 1.265 56.000 54.840 -0.175 0.000 0.763 285 L CB -0.285 41.573 42.059 -0.336 0.000 0.908 285 L HN 0.268 nan 8.230 nan 0.000 0.437 286 Q N -0.505 119.213 119.800 -0.137 0.000 2.123 286 Q HA -0.109 4.231 4.340 -0.000 0.000 0.199 286 Q C 2.466 178.423 176.000 -0.073 0.000 0.966 286 Q CA 1.201 56.939 55.803 -0.108 0.000 0.845 286 Q CB -0.131 28.545 28.738 -0.103 0.000 0.907 286 Q HN 0.536 nan 8.270 nan 0.000 0.439 287 A N 1.386 124.168 122.820 -0.062 0.000 1.908 287 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 287 A C 1.074 178.638 177.584 -0.034 0.000 1.181 287 A CA 1.163 53.174 52.037 -0.042 0.000 0.627 287 A CB -0.280 18.699 19.000 -0.035 0.000 0.818 287 A HN 0.319 nan 8.150 nan 0.000 0.445 288 E N -1.530 118.649 120.200 -0.035 0.000 3.218 288 E HA 0.491 4.841 4.350 -0.000 0.000 0.265 288 E C 1.472 178.059 176.600 -0.022 0.000 1.393 288 E CA -0.173 56.215 56.400 -0.019 0.000 1.160 288 E CB 0.297 29.992 29.700 -0.008 0.000 1.272 288 E HN 0.265 nan 8.360 nan 0.000 0.720 289 A N 0.486 123.305 122.820 -0.002 0.000 1.823 289 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 289 A C 1.514 179.099 177.584 0.001 0.000 1.225 289 A CA 1.276 53.314 52.037 0.002 0.000 0.604 289 A CB -0.576 18.436 19.000 0.019 0.000 0.878 289 A HN 0.609 nan 8.150 nan 0.000 0.450 290 R N -0.477 120.056 120.500 0.054 0.000 2.379 290 R HA -0.256 4.084 4.340 -0.000 0.000 0.183 290 R C 0.429 176.723 176.300 -0.010 0.000 0.862 290 R CA 2.032 58.198 56.100 0.109 0.000 0.196 290 R CB -2.323 27.968 30.300 -0.015 0.000 0.592 290 R HN 0.505 nan 8.270 nan 0.000 0.225 291 L N 3.378 124.494 121.223 -0.179 0.000 2.307 291 L HA 0.238 4.578 4.340 -0.000 0.000 0.282 291 L C 1.000 177.808 176.870 -0.102 0.000 1.051 291 L CA -0.778 53.959 54.840 -0.173 0.000 0.804 291 L CB 1.529 43.427 42.059 -0.269 0.000 1.197 291 L HN 0.344 nan 8.230 nan 0.000 0.431 292 Q N 1.371 121.125 119.800 -0.076 0.000 2.417 292 Q HA 0.362 4.702 4.340 -0.000 0.000 0.241 292 Q C -1.001 174.955 176.000 -0.073 0.000 1.008 292 Q CA -0.395 55.370 55.803 -0.062 0.000 0.901 292 Q CB 0.814 29.521 28.738 -0.051 0.000 1.259 292 Q HN 0.482 nan 8.270 nan 0.000 0.489 293 T N 2.395 116.912 114.554 -0.061 0.000 2.879 293 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 293 T C -2.291 172.377 174.700 -0.052 0.000 0.993 293 T CA -1.146 60.917 62.100 -0.062 0.000 0.975 293 T CB 1.261 70.095 68.868 -0.057 0.000 0.981 293 T HN 0.658 nan 8.240 nan 0.000 0.439 294 P HA 0.388 nan 4.420 nan 0.000 0.275 294 P C -1.046 176.207 177.300 -0.078 0.000 1.228 294 P CA -0.721 62.340 63.100 -0.065 0.000 0.786 294 P CB 0.849 32.513 31.700 -0.059 0.000 0.927 295 L N 2.445 123.611 121.223 -0.095 0.000 2.276 295 L HA 0.426 4.766 4.340 -0.000 0.000 0.286 295 L C 1.351 178.147 176.870 -0.124 0.000 1.061 295 L CA -0.162 54.611 54.840 -0.111 0.000 0.807 295 L CB 0.617 42.599 42.059 -0.128 0.000 1.177 295 L HN 0.713 nan 8.230 nan 0.000 0.429 296 A N 3.704 126.450 122.820 -0.124 0.000 2.200 296 A HA -0.120 4.200 4.320 -0.000 0.000 0.210 296 A C 0.810 178.289 177.584 -0.176 0.000 1.266 296 A CA 1.780 53.737 52.037 -0.133 0.000 0.839 296 A CB -0.824 18.092 19.000 -0.140 0.000 0.813 296 A HN 0.804 nan 8.150 nan 0.000 0.520 297 S N -1.555 114.011 115.700 -0.223 0.000 2.652 297 S HA 0.495 4.965 4.470 -0.000 0.000 0.273 297 S C -0.875 173.524 174.600 -0.336 0.000 1.172 297 S CA -0.448 57.538 58.200 -0.356 0.000 1.009 297 S CB 0.362 63.300 63.200 -0.437 0.000 1.094 297 S HN 1.259 nan 8.310 nan 0.000 0.471 298 L N 3.286 124.314 121.223 -0.324 0.000 2.379 298 L HA 0.947 5.287 4.340 -0.000 0.000 0.269 298 L C -0.679 176.086 176.870 -0.176 0.000 1.084 298 L CA -0.531 54.180 54.840 -0.215 0.000 0.802 298 L CB 0.995 42.950 42.059 -0.172 0.000 1.175 298 L HN 0.296 nan 8.230 nan 0.000 0.448 299 V N 2.867 122.745 119.914 -0.059 0.000 2.448 299 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 299 V C -0.231 175.864 176.094 0.001 0.000 1.025 299 V CA -0.580 61.742 62.300 0.037 0.000 0.859 299 V CB 1.819 33.709 31.823 0.113 0.000 0.988 299 V HN 0.661 nan 8.190 nan 0.000 0.431 300 V N 6.229 126.144 119.914 0.001 0.000 2.370 300 V HA 0.427 4.547 4.120 -0.000 0.000 0.283 300 V C 0.158 176.231 176.094 -0.036 0.000 1.023 300 V CA -0.456 61.816 62.300 -0.047 0.000 0.857 300 V CB 1.690 33.460 31.823 -0.088 0.000 0.985 300 V HN 0.674 nan 8.190 nan 0.000 0.443 301 I N 5.447 125.979 120.570 -0.064 0.000 2.389 301 I HA 0.095 4.265 4.170 -0.000 0.000 0.295 301 I C 0.134 176.195 176.117 -0.093 0.000 1.117 301 I CA -0.075 61.182 61.300 -0.072 0.000 1.317 301 I CB 0.968 38.894 38.000 -0.124 0.000 1.431 301 I HN 0.335 nan 8.210 nan 0.000 0.521 302 V N 6.813 126.695 119.914 -0.053 0.000 2.302 302 V HA -0.064 4.056 4.120 -0.000 0.000 0.244 302 V C 1.405 177.496 176.094 -0.006 0.000 1.160 302 V CA -0.295 61.966 62.300 -0.066 0.000 1.127 302 V CB -0.193 31.637 31.823 0.011 0.000 1.253 302 V HN 1.028 nan 8.190 nan 0.000 0.496 303 C N 1.838 121.123 119.300 -0.024 0.000 2.419 303 C HA 0.343 4.803 4.460 -0.000 0.000 0.283 303 C C 1.748 176.819 174.990 0.136 0.000 1.373 303 C CA 0.135 59.200 59.018 0.079 0.000 1.781 303 C CB -1.653 26.124 27.740 0.062 0.000 1.886 303 C HN 1.204 nan 8.230 nan 0.000 0.520 304 G N 0.433 109.278 108.800 0.074 0.000 2.669 304 G HA2 0.390 4.350 3.960 -0.000 0.000 0.250 304 G HA3 0.390 4.350 3.960 -0.000 0.000 0.250 304 G C 0.324 175.261 174.900 0.062 0.000 1.247 304 G CA 0.461 45.606 45.100 0.075 0.000 0.958 304 G HN 2.711 nan 8.290 nan 0.000 0.559 305 G N -2.418 106.412 108.800 0.049 0.000 3.055 305 G HA2 0.470 4.430 3.960 -0.000 0.000 0.685 305 G HA3 0.470 4.430 3.960 -0.000 0.000 0.685 305 G C 0.575 175.488 174.900 0.022 0.000 1.212 305 G CA 0.931 46.051 45.100 0.034 0.000 0.822 305 G HN 2.292 nan 8.290 nan 0.000 0.610 306 S N 0.270 115.976 115.700 0.009 0.000 2.497 306 S HA 0.128 4.598 4.470 -0.000 0.000 0.218 306 S C 0.980 175.588 174.600 0.012 0.000 1.023 306 S CA 0.745 58.949 58.200 0.006 0.000 0.913 306 S CB 0.296 63.492 63.200 -0.007 0.000 0.800 306 S HN 0.923 nan 8.310 nan 0.000 0.505 307 N N 1.592 120.301 118.700 0.015 0.000 2.971 307 N HA 0.449 5.189 4.740 -0.000 0.000 0.294 307 N C -0.985 174.538 175.510 0.020 0.000 1.210 307 N CA -0.227 52.833 53.050 0.017 0.000 1.157 307 N CB -0.552 37.947 38.487 0.019 0.000 1.450 307 N HN 0.494 nan 8.380 nan 0.000 0.527 308 I N 0.373 120.955 120.570 0.020 0.000 2.842 308 I HA 0.526 4.696 4.170 -0.000 0.000 0.296 308 I C -1.452 174.677 176.117 0.020 0.000 1.538 308 I CA -0.168 61.145 61.300 0.022 0.000 0.994 308 I CB 1.503 39.520 38.000 0.028 0.000 1.372 308 I HN 0.326 nan 8.210 nan 0.000 0.478 309 S N 4.923 120.634 115.700 0.019 0.000 2.636 309 S HA 0.470 4.939 4.470 -0.000 0.000 0.266 309 S C -0.082 174.526 174.600 0.014 0.000 1.147 309 S CA -0.766 57.443 58.200 0.016 0.000 0.815 309 S CB 0.769 63.977 63.200 0.013 0.000 1.119 309 S HN 0.598 nan 8.310 nan 0.000 0.470 310 L N 1.381 122.611 121.223 0.011 0.000 2.042 310 L HA 0.083 4.423 4.340 -0.000 0.000 0.210 310 L C 3.000 179.874 176.870 0.008 0.000 1.076 310 L CA 2.749 57.594 54.840 0.008 0.000 0.749 310 L CB -1.811 40.251 42.059 0.006 0.000 0.893 310 L HN 0.994 nan 8.230 nan 0.000 0.432 311 A N -1.137 121.687 122.820 0.008 0.000 1.845 311 A HA -0.269 4.051 4.320 -0.000 0.000 0.215 311 A C 2.147 179.736 177.584 0.008 0.000 1.195 311 A CA 1.738 53.779 52.037 0.007 0.000 0.616 311 A CB -0.604 18.400 19.000 0.008 0.000 0.832 311 A HN 0.559 nan 8.150 nan 0.000 0.443 312 Q N -0.542 119.264 119.800 0.010 0.000 2.181 312 Q HA -0.124 4.216 4.340 -0.000 0.000 0.205 312 Q C 2.102 178.109 176.000 0.011 0.000 0.980 312 Q CA 1.234 57.044 55.803 0.011 0.000 0.862 312 Q CB -0.380 28.366 28.738 0.014 0.000 0.905 312 Q HN 0.684 nan 8.270 nan 0.000 0.429 313 L N 0.423 121.653 121.223 0.011 0.000 2.012 313 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 313 L C 2.342 179.215 176.870 0.006 0.000 1.073 313 L CA 1.434 56.280 54.840 0.009 0.000 0.748 313 L CB -0.095 41.970 42.059 0.009 0.000 0.891 313 L HN 0.286 nan 8.230 nan 0.000 0.431 314 Q N -0.368 119.435 119.800 0.005 0.000 2.020 314 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 314 Q C 2.209 178.212 176.000 0.005 0.000 0.982 314 Q CA 2.055 57.860 55.803 0.004 0.000 0.838 314 Q CB -0.636 28.104 28.738 0.003 0.000 0.899 314 Q HN 0.574 nan 8.270 nan 0.000 0.423 315 A N -0.265 122.558 122.820 0.006 0.000 1.958 315 A HA -0.220 4.099 4.320 -0.000 0.000 0.221 315 A C 1.853 179.442 177.584 0.007 0.000 1.178 315 A CA 1.696 53.737 52.037 0.007 0.000 0.642 315 A CB -0.570 18.435 19.000 0.009 0.000 0.816 315 A HN 0.340 nan 8.150 nan 0.000 0.453 316 L N -0.870 120.358 121.223 0.008 0.000 2.102 316 L HA 0.018 4.358 4.340 -0.000 0.000 0.202 316 L C 2.298 179.172 176.870 0.006 0.000 1.076 316 L CA 1.770 56.615 54.840 0.008 0.000 0.761 316 L CB -0.589 41.475 42.059 0.009 0.000 0.921 316 L HN 0.263 nan 8.230 nan 0.000 0.444 317 K N -0.400 120.002 120.400 0.004 0.000 2.211 317 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 317 K C 1.907 178.509 176.600 0.002 0.000 1.047 317 K CA 1.269 57.556 56.287 0.001 0.000 0.935 317 K CB -0.178 32.322 32.500 -0.001 0.000 0.728 317 K HN 0.344 nan 8.250 nan 0.000 0.452 318 A N 1.197 124.019 122.820 0.003 0.000 1.865 318 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 318 A C 2.103 179.689 177.584 0.004 0.000 1.315 318 A CA 0.977 53.016 52.037 0.003 0.000 0.605 318 A CB -0.858 18.144 19.000 0.003 0.000 0.984 318 A HN 0.289 nan 8.150 nan 0.000 0.470 319 Q N -0.892 118.911 119.800 0.005 0.000 2.165 319 Q HA -0.229 4.110 4.340 -0.000 0.000 0.215 319 Q C 0.889 176.893 176.000 0.006 0.000 1.010 319 Q CA 1.941 57.747 55.803 0.006 0.000 0.896 319 Q CB -0.426 28.316 28.738 0.007 0.000 0.956 319 Q HN 0.481 nan 8.270 nan 0.000 0.413 320 L N 0.000 121.227 121.223 0.007 0.000 2.949 320 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 320 L CA 0.000 54.845 54.840 0.009 0.000 0.813 320 L CB 0.000 42.066 42.059 0.012 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502