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 1ex5_1_D DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVAPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAGA DATA SEQUENCE AASESLFISN HAY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.292 177.300 -0.013 0.000 1.155 1 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1 P CB 0.000 31.713 31.700 0.022 0.000 0.726 2 H N 0.664 119.735 119.070 0.001 0.000 2.274 2 H HA 0.433 nan 4.556 nan 0.000 0.271 2 H C -0.469 174.848 175.328 -0.019 0.000 0.945 2 H CA 0.703 56.748 56.048 -0.005 0.000 1.200 2 H CB 0.995 30.753 29.762 -0.007 0.000 1.456 2 H HN 0.216 8.601 8.280 0.176 0.000 0.536 3 S N -1.060 114.720 115.700 0.132 0.000 2.574 3 S HA -0.010 nan 4.470 nan 0.000 0.331 3 S C -2.351 172.251 174.600 0.003 0.000 0.901 3 S CA -0.137 58.080 58.200 0.028 0.000 0.834 3 S CB 0.384 63.588 63.200 0.007 0.000 1.102 3 S HN -0.012 8.408 8.310 0.183 0.000 0.473 4 H N 6.178 125.187 119.070 -0.101 0.000 2.887 4 H HA 0.356 nan 4.556 nan 0.000 0.300 4 H C -2.467 172.792 175.328 -0.115 0.000 1.038 4 H CA -1.583 54.406 56.048 -0.099 0.000 1.352 4 H CB 0.727 30.433 29.762 -0.094 0.000 1.473 4 H HN 0.234 8.500 8.280 -0.024 0.000 0.503 5 P HA 0.016 nan 4.420 nan 0.000 0.258 5 P C -1.442 175.913 177.300 0.092 0.000 1.187 5 P CA 0.275 63.366 63.100 -0.015 0.000 0.767 5 P CB 1.199 32.852 31.700 -0.079 0.000 0.770 6 A N 3.992 126.842 122.820 0.050 0.000 2.197 6 A HA 0.073 nan 4.320 nan 0.000 0.210 6 A C -0.748 176.843 177.584 0.012 0.000 1.180 6 A CA 1.180 53.254 52.037 0.061 0.000 0.846 6 A CB 1.190 20.235 19.000 0.076 0.000 0.884 6 A HN 0.234 8.389 8.150 0.007 0.000 0.487 7 L N -1.488 119.713 121.223 -0.037 0.000 2.422 7 L HA 0.230 nan 4.340 nan 0.000 0.264 7 L C -1.154 175.651 176.870 -0.108 0.000 0.984 7 L CA -1.009 53.780 54.840 -0.085 0.000 0.819 7 L CB 3.529 45.496 42.059 -0.153 0.000 1.330 7 L HN -0.856 7.313 8.230 -0.044 0.034 0.410 8 T N -1.727 112.772 114.554 -0.092 0.000 2.874 8 T HA 0.519 nan 4.350 nan 0.000 0.281 8 T C -0.277 174.359 174.700 -0.108 0.000 0.994 8 T CA -2.850 59.200 62.100 -0.084 0.000 1.015 8 T CB 0.029 68.865 68.868 -0.054 0.000 1.028 8 T HN 0.378 8.902 8.240 -0.077 -0.331 0.523 9 P HA -0.151 nan 4.420 nan 0.000 0.216 9 P C 1.758 179.023 177.300 -0.058 0.000 1.150 9 P CA 2.915 65.969 63.100 -0.078 0.000 0.837 9 P CB 0.113 31.784 31.700 -0.048 0.000 0.786 10 E N -1.745 118.429 120.200 -0.044 0.000 2.051 10 E HA -0.267 nan 4.350 nan 0.000 0.192 10 E C 2.641 179.225 176.600 -0.027 0.000 0.991 10 E CA 3.662 60.046 56.400 -0.026 0.000 0.799 10 E CB -0.832 28.856 29.700 -0.020 0.000 0.748 10 E HN 0.460 8.779 8.360 -0.045 0.014 0.449 11 Q N -0.925 118.847 119.800 -0.045 0.000 2.096 11 Q HA -0.347 nan 4.340 nan 0.000 0.204 11 Q C 2.540 178.508 176.000 -0.054 0.000 0.982 11 Q CA 3.010 58.787 55.803 -0.044 0.000 0.850 11 Q CB 0.003 28.706 28.738 -0.058 0.000 0.901 11 Q HN -0.610 7.559 8.270 -0.053 0.068 0.422 12 K N -0.947 119.372 120.400 -0.135 0.000 2.009 12 K HA -0.391 nan 4.320 nan 0.000 0.210 12 K C 1.938 178.579 176.600 0.068 0.000 1.049 12 K CA 3.306 59.473 56.287 -0.200 0.000 0.929 12 K CB -0.310 31.901 32.500 -0.481 0.000 0.714 12 K HN 0.101 8.259 8.250 -0.154 0.000 0.440 13 K N -0.730 119.698 120.400 0.047 0.000 2.020 13 K HA -0.426 nan 4.320 nan 0.000 0.212 13 K C 1.726 178.381 176.600 0.092 0.000 1.050 13 K CA 3.407 59.745 56.287 0.084 0.000 0.929 13 K CB -0.206 32.320 32.500 0.043 0.000 0.714 13 K HN -0.464 7.782 8.250 -0.007 0.000 0.443 14 E N -1.079 119.159 120.200 0.062 0.000 2.070 14 E HA -0.348 nan 4.350 nan 0.000 0.197 14 E C 2.422 179.073 176.600 0.086 0.000 1.004 14 E CA 3.044 59.481 56.400 0.062 0.000 0.805 14 E CB -0.223 29.503 29.700 0.044 0.000 0.744 14 E HN -0.831 7.553 8.360 0.040 0.000 0.451 15 L N -2.207 119.081 121.223 0.109 0.000 1.970 15 L HA -0.409 nan 4.340 nan 0.000 0.212 15 L C 2.365 179.312 176.870 0.129 0.000 1.071 15 L CA 3.151 58.069 54.840 0.129 0.000 0.751 15 L CB -0.326 41.848 42.059 0.192 0.000 0.889 15 L HN -0.667 7.624 8.230 0.101 -0.000 0.432 16 S N -1.443 114.369 115.700 0.186 0.000 2.419 16 S HA -0.373 nan 4.470 nan 0.000 0.233 16 S C 2.738 177.473 174.600 0.224 0.000 1.016 16 S CA 3.551 61.864 58.200 0.190 0.000 0.974 16 S CB -0.887 62.460 63.200 0.245 0.000 0.786 16 S HN -0.130 8.327 8.310 0.247 0.000 0.492 17 D N 3.309 123.799 120.400 0.149 0.000 2.123 17 D HA -0.138 nan 4.640 nan 0.000 0.200 17 D C 2.796 179.155 176.300 0.098 0.000 0.976 17 D CA 3.233 57.300 54.000 0.112 0.000 0.831 17 D CB -0.161 40.680 40.800 0.068 0.000 0.974 17 D HN 0.009 8.431 8.370 0.130 0.026 0.469 18 I N 0.491 121.108 120.570 0.078 0.000 2.252 18 I HA -0.447 nan 4.170 nan 0.000 0.245 18 I C 1.480 177.604 176.117 0.011 0.000 1.102 18 I CA 3.481 64.814 61.300 0.055 0.000 1.385 18 I CB -0.219 37.824 38.000 0.071 0.000 1.064 18 I HN -0.486 7.774 8.210 0.083 0.000 0.414 19 A N -0.975 121.842 122.820 -0.005 0.000 1.908 19 A HA -0.390 nan 4.320 nan 0.000 0.218 19 A C 1.996 179.494 177.584 -0.144 0.000 1.181 19 A CA 3.244 55.217 52.037 -0.107 0.000 0.627 19 A CB -0.901 18.019 19.000 -0.133 0.000 0.818 19 A HN 0.322 8.492 8.150 0.033 0.000 0.445 20 H N -1.336 117.703 119.070 -0.051 0.000 2.395 20 H HA -0.181 nan 4.556 nan 0.000 0.299 20 H C 2.432 177.730 175.328 -0.051 0.000 1.070 20 H CA 3.164 59.184 56.048 -0.046 0.000 1.356 20 H CB 0.271 30.018 29.762 -0.024 0.000 1.401 20 H HN -0.431 7.910 8.280 0.120 0.011 0.524 21 R N -0.949 119.601 120.500 0.084 0.000 2.120 21 R HA -0.230 nan 4.340 nan 0.000 0.234 21 R C 1.773 178.059 176.300 -0.024 0.000 1.123 21 R CA 3.072 59.190 56.100 0.030 0.000 0.975 21 R CB -0.313 30.005 30.300 0.029 0.000 0.866 21 R HN -0.440 7.885 8.270 0.093 0.000 0.446 22 I N -1.854 118.671 120.570 -0.075 0.000 2.315 22 I HA -0.300 nan 4.170 nan 0.000 0.248 22 I C 0.538 176.557 176.117 -0.164 0.000 1.117 22 I CA 3.160 64.369 61.300 -0.153 0.000 1.404 22 I CB 0.358 38.187 38.000 -0.285 0.000 1.071 22 I HN -0.674 7.473 8.210 -0.071 0.020 0.419 23 V N -8.875 110.956 119.914 -0.138 0.000 3.170 23 V HA 0.206 nan 4.120 nan 0.000 0.354 23 V C 0.247 176.314 176.094 -0.045 0.000 1.350 23 V CA -2.901 59.327 62.300 -0.121 0.000 1.244 23 V CB -2.096 29.643 31.823 -0.139 0.000 1.222 23 V HN -0.815 7.214 8.190 -0.122 0.087 0.478 24 A N 1.850 124.657 122.820 -0.022 0.000 2.386 24 A HA 0.291 nan 4.320 nan 0.000 0.246 24 A C -2.101 175.488 177.584 0.009 0.000 1.089 24 A CA -1.745 50.299 52.037 0.012 0.000 0.790 24 A CB -0.881 18.126 19.000 0.012 0.000 1.042 24 A HN -0.658 7.400 8.150 -0.038 0.069 0.497 25 P HA -0.263 nan 4.420 nan 0.000 0.260 25 P C -0.343 176.980 177.300 0.038 0.000 1.185 25 P CA 1.721 64.843 63.100 0.036 0.000 0.763 25 P CB -0.511 31.210 31.700 0.035 0.000 0.776 26 G N 3.886 112.721 108.800 0.058 0.000 2.284 26 G HA2 -0.472 nan 3.960 nan 0.000 0.230 26 G HA3 -0.472 nan 3.960 nan 0.000 0.230 26 G C -0.578 174.369 174.900 0.079 0.000 1.021 26 G CA -0.062 45.085 45.100 0.079 0.000 0.619 26 G HN 0.222 8.553 8.290 0.068 0.000 0.510 27 K N 3.526 123.931 120.400 0.007 0.000 2.202 27 K HA 0.301 nan 4.320 nan 0.000 0.264 27 K C -1.142 175.303 176.600 -0.259 0.000 1.010 27 K CA 0.264 56.505 56.287 -0.076 0.000 0.940 27 K CB 0.784 33.233 32.500 -0.085 0.000 0.983 27 K HN -0.226 7.932 8.250 0.003 0.094 0.475 28 G N -1.872 106.606 108.800 -0.537 0.000 2.646 28 G HA2 0.629 nan 3.960 nan 0.000 0.291 28 G HA3 0.629 nan 3.960 nan 0.000 0.291 28 G C -2.524 171.853 174.900 -0.872 0.000 1.445 28 G CA -0.196 44.147 45.100 -1.262 0.000 0.814 28 G HN -0.168 7.978 8.290 -0.358 -0.071 0.495 29 I N 0.632 120.757 120.570 -0.742 0.000 2.385 29 I HA 0.392 nan 4.170 nan 0.000 0.294 29 I C -1.925 174.140 176.117 -0.086 0.000 0.988 29 I CA -0.603 60.518 61.300 -0.298 0.000 1.265 29 I CB 2.431 40.304 38.000 -0.212 0.000 1.388 29 I HN 0.626 8.213 8.210 -0.879 0.096 0.480 30 L N 7.218 128.474 121.223 0.054 0.000 2.255 30 L HA 0.316 nan 4.340 nan 0.000 0.289 30 L C -1.900 175.026 176.870 0.094 0.000 1.046 30 L CA -1.687 53.245 54.840 0.154 0.000 0.816 30 L CB 1.266 43.432 42.059 0.179 0.000 1.197 30 L HN 0.332 8.585 8.230 0.038 0.000 0.427 31 A N 7.900 130.784 122.820 0.107 0.000 3.118 31 A HA 0.268 nan 4.320 nan 0.000 0.256 31 A C -0.584 177.020 177.584 0.033 0.000 1.667 31 A CA -1.267 50.815 52.037 0.075 0.000 1.338 31 A CB -1.474 17.580 19.000 0.090 0.000 1.127 31 A HN 0.349 8.593 8.150 0.156 0.000 0.634 32 A N 1.582 124.389 122.820 -0.021 0.000 2.840 32 A HA 0.044 nan 4.320 nan 0.000 0.269 32 A C -0.780 176.766 177.584 -0.064 0.000 1.439 32 A CA -0.466 51.519 52.037 -0.086 0.000 1.083 32 A CB -1.033 17.840 19.000 -0.213 0.000 1.019 32 A HN -0.452 7.622 8.150 -0.022 0.064 0.607 33 D N -2.200 118.192 120.400 -0.013 0.000 2.561 33 D HA -0.035 nan 4.640 nan 0.000 0.232 33 D C -0.598 175.686 176.300 -0.026 0.000 1.198 33 D CA -0.214 53.800 54.000 0.023 0.000 0.826 33 D CB 0.095 40.927 40.800 0.054 0.000 0.992 33 D HN -0.446 7.815 8.370 0.001 0.110 0.490 34 E N 0.238 120.406 120.200 -0.054 0.000 2.161 34 E HA -0.045 nan 4.350 nan 0.000 0.263 34 E C -0.682 175.765 176.600 -0.255 0.000 1.185 34 E CA 0.386 56.725 56.400 -0.101 0.000 0.938 34 E CB -0.696 28.994 29.700 -0.017 0.000 1.023 34 E HN -0.124 8.120 8.360 -0.037 0.095 0.433 35 S N 4.259 119.665 115.700 -0.489 0.000 2.572 35 S HA -0.129 nan 4.470 nan 0.000 0.267 35 S C 1.426 175.664 174.600 -0.603 0.000 1.361 35 S CA 1.159 58.713 58.200 -1.077 0.000 1.009 35 S CB 0.711 63.304 63.200 -1.011 0.000 0.888 35 S HN -0.245 7.850 8.310 -0.358 0.000 0.553 36 T N 3.997 118.196 114.554 -0.592 0.000 2.714 36 T HA -0.322 nan 4.350 nan 0.000 0.268 36 T C 2.182 176.815 174.700 -0.112 0.000 1.036 36 T CA 4.881 66.879 62.100 -0.170 0.000 1.148 36 T CB -0.261 68.609 68.868 0.002 0.000 0.856 36 T HN 0.661 8.296 8.240 -1.007 0.000 0.462 37 G N 0.245 108.958 108.800 -0.144 0.000 2.447 37 G HA2 0.026 nan 3.960 nan 0.000 0.211 37 G HA3 0.026 nan 3.960 nan 0.000 0.211 37 G C 1.025 175.875 174.900 -0.084 0.000 1.184 37 G CA 1.398 46.448 45.100 -0.084 0.000 0.813 37 G HN 0.012 8.146 8.290 -0.218 0.025 0.540 38 S N 2.772 118.400 115.700 -0.120 0.000 2.419 38 S HA -0.268 nan 4.470 nan 0.000 0.235 38 S C 1.416 175.977 174.600 -0.064 0.000 1.019 38 S CA 3.070 61.216 58.200 -0.090 0.000 0.982 38 S CB -0.206 62.928 63.200 -0.109 0.000 0.789 38 S HN -0.146 8.062 8.310 -0.169 0.000 0.490 39 I N 0.103 120.628 120.570 -0.074 0.000 2.406 39 I HA -0.301 nan 4.170 nan 0.000 0.249 39 I C 0.345 176.449 176.117 -0.022 0.000 1.122 39 I CA 1.448 62.730 61.300 -0.030 0.000 1.431 39 I CB -0.186 37.810 38.000 -0.006 0.000 1.087 39 I HN 0.301 8.373 8.210 -0.115 0.069 0.424 40 A N -0.946 121.860 122.820 -0.024 0.000 1.933 40 A HA -0.345 nan 4.320 nan 0.000 0.218 40 A C 2.035 179.612 177.584 -0.012 0.000 1.175 40 A CA 3.148 55.179 52.037 -0.010 0.000 0.628 40 A CB -1.142 17.853 19.000 -0.009 0.000 0.814 40 A HN -0.685 7.248 8.150 -0.039 0.193 0.444 41 K N -2.829 117.560 120.400 -0.019 0.000 2.211 41 K HA -0.328 nan 4.320 nan 0.000 0.204 41 K C 1.243 177.837 176.600 -0.010 0.000 1.047 41 K CA 2.938 59.216 56.287 -0.014 0.000 0.935 41 K CB 0.111 32.600 32.500 -0.018 0.000 0.728 41 K HN -0.256 7.962 8.250 -0.027 0.016 0.452 42 R N -4.753 115.739 120.500 -0.014 0.000 2.397 42 R HA -0.067 nan 4.340 nan 0.000 0.241 42 R C 0.876 177.162 176.300 -0.023 0.000 0.914 42 R CA 0.968 57.060 56.100 -0.014 0.000 1.071 42 R CB 0.501 30.794 30.300 -0.012 0.000 1.116 42 R HN -0.525 7.459 8.270 -0.018 0.276 0.524 43 L N 0.140 121.352 121.223 -0.017 0.000 2.488 43 L HA 0.199 nan 4.340 nan 0.000 0.186 43 L C 0.405 177.280 176.870 0.009 0.000 1.124 43 L CA 1.733 56.571 54.840 -0.003 0.000 0.838 43 L CB 1.151 43.212 42.059 0.003 0.000 1.107 43 L HN -0.047 7.985 8.230 -0.015 0.189 0.494 44 Q N -0.769 119.035 119.800 0.007 0.000 2.291 44 Q HA -0.111 nan 4.340 nan 0.000 0.211 44 Q C 1.288 177.287 176.000 -0.002 0.000 0.925 44 Q CA 1.555 57.360 55.803 0.004 0.000 0.949 44 Q CB -0.453 28.289 28.738 0.006 0.000 1.015 44 Q HN -0.203 7.969 8.270 0.005 0.101 0.477 45 S N -0.777 114.921 115.700 -0.004 0.000 2.441 45 S HA -0.037 nan 4.470 nan 0.000 0.224 45 S C 0.684 175.279 174.600 -0.008 0.000 1.043 45 S CA 1.408 59.605 58.200 -0.005 0.000 0.948 45 S CB 0.361 63.558 63.200 -0.004 0.000 0.810 45 S HN 0.202 8.390 8.310 -0.003 0.120 0.504 46 I N -3.735 116.829 120.570 -0.009 0.000 3.862 46 I HA 0.393 nan 4.170 nan 0.000 0.328 46 I C 0.411 176.513 176.117 -0.026 0.000 1.474 46 I CA -1.491 59.799 61.300 -0.017 0.000 1.215 46 I CB -0.739 37.251 38.000 -0.016 0.000 1.183 46 I HN -0.732 7.474 8.210 -0.006 0.000 0.413 47 G N 0.688 109.476 108.800 -0.020 0.000 2.382 47 G HA2 -0.436 nan 3.960 nan 0.000 0.259 47 G HA3 -0.436 nan 3.960 nan 0.000 0.259 47 G C 0.224 175.109 174.900 -0.025 0.000 1.009 47 G CA 1.041 46.127 45.100 -0.024 0.000 0.625 47 G HN 0.170 8.348 8.290 -0.014 0.104 0.541 48 T N 2.456 116.993 114.554 -0.028 0.000 2.866 48 T HA -0.145 nan 4.350 nan 0.000 0.293 48 T C 0.160 174.869 174.700 0.015 0.000 1.005 48 T CA 0.970 63.057 62.100 -0.022 0.000 1.162 48 T CB 0.335 69.205 68.868 0.003 0.000 0.968 48 T HN -0.585 7.525 8.240 -0.029 0.112 0.530 49 E N 5.624 125.834 120.200 0.016 0.000 2.652 49 E HA -0.227 nan 4.350 nan 0.000 0.255 49 E C -0.895 175.739 176.600 0.057 0.000 0.952 49 E CA 0.834 57.252 56.400 0.031 0.000 0.947 49 E CB 0.672 30.389 29.700 0.028 0.000 0.912 49 E HN -0.036 8.320 8.360 -0.006 0.000 0.489 50 N N 5.716 124.443 118.700 0.045 0.000 2.437 50 N HA 0.070 nan 4.740 nan 0.000 0.243 50 N C -1.341 174.203 175.510 0.058 0.000 1.041 50 N CA -0.099 52.982 53.050 0.052 0.000 0.940 50 N CB 0.280 38.787 38.487 0.034 0.000 1.133 50 N HN 0.053 8.452 8.380 0.032 0.000 0.506 51 T N 1.622 116.222 114.554 0.078 0.000 2.889 51 T HA 0.197 nan 4.350 nan 0.000 0.315 51 T C -0.025 174.735 174.700 0.100 0.000 1.291 51 T CA -1.098 61.049 62.100 0.078 0.000 1.028 51 T CB 3.024 71.934 68.868 0.070 0.000 1.235 51 T HN -0.355 7.942 8.240 0.094 0.000 0.491 52 E N 1.704 121.961 120.200 0.096 0.000 2.130 52 E HA -0.435 nan 4.350 nan 0.000 0.196 52 E C 1.651 178.330 176.600 0.131 0.000 0.998 52 E CA 3.561 60.029 56.400 0.113 0.000 0.806 52 E CB 0.137 29.896 29.700 0.099 0.000 0.738 52 E HN 0.416 8.825 8.360 0.082 0.000 0.459 53 E N -1.731 118.542 120.200 0.122 0.000 2.047 53 E HA -0.251 nan 4.350 nan 0.000 0.191 53 E C 2.217 178.936 176.600 0.199 0.000 0.987 53 E CA 3.079 59.565 56.400 0.144 0.000 0.799 53 E CB -0.678 29.086 29.700 0.106 0.000 0.752 53 E HN 0.334 8.740 8.360 0.102 0.015 0.449 54 N N -0.695 118.116 118.700 0.185 0.000 2.104 54 N HA -0.323 nan 4.740 nan 0.000 0.190 54 N C 2.539 178.203 175.510 0.256 0.000 1.024 54 N CA 3.009 56.209 53.050 0.250 0.000 0.853 54 N CB -0.234 38.387 38.487 0.223 0.000 1.008 54 N HN -0.549 7.919 8.380 0.146 0.000 0.424 55 R N -0.303 120.318 120.500 0.202 0.000 2.075 55 R HA -0.318 nan 4.340 nan 0.000 0.232 55 R C 2.218 178.641 176.300 0.205 0.000 1.126 55 R CA 3.558 59.777 56.100 0.198 0.000 0.963 55 R CB -0.131 30.266 30.300 0.162 0.000 0.858 55 R HN 0.292 8.665 8.270 0.174 0.002 0.435 56 R N -0.638 119.997 120.500 0.225 0.000 2.096 56 R HA -0.287 nan 4.340 nan 0.000 0.235 56 R C 2.034 178.495 176.300 0.269 0.000 1.127 56 R CA 3.179 59.440 56.100 0.269 0.000 0.968 56 R CB -0.180 30.262 30.300 0.237 0.000 0.861 56 R HN -0.002 8.196 8.270 0.211 0.199 0.440 57 F N 0.713 120.727 119.950 0.108 0.000 2.084 57 F HA -0.399 nan 4.527 nan 0.000 0.296 57 F C 1.243 177.001 175.800 -0.070 0.000 1.111 57 F CA 3.670 61.702 58.000 0.053 0.000 1.224 57 F CB 0.277 39.332 39.000 0.091 0.000 0.991 57 F HN 0.107 8.433 8.300 0.387 0.206 0.471 58 Y N -0.504 119.646 120.300 -0.249 0.000 2.102 58 Y HA -0.671 nan 4.550 nan 0.000 0.280 58 Y C 1.903 177.522 175.900 -0.469 0.000 1.178 58 Y CA 3.552 61.352 58.100 -0.501 0.000 1.146 58 Y CB 0.253 38.489 38.460 -0.374 0.000 0.968 58 Y HN -0.224 8.187 8.280 0.218 0.000 0.504 59 R N -3.442 116.759 120.500 -0.498 0.000 2.070 59 R HA -0.439 nan 4.340 nan 0.000 0.232 59 R C 2.128 177.986 176.300 -0.737 0.000 1.138 59 R CA 2.082 57.771 56.100 -0.685 0.000 0.936 59 R CB -1.140 28.829 30.300 -0.551 0.000 0.839 59 R HN -0.609 7.523 8.270 -0.217 0.008 0.429 60 Q N 0.045 119.445 119.800 -0.665 0.000 2.248 60 Q HA -0.259 nan 4.340 nan 0.000 0.208 60 Q C 2.522 178.222 176.000 -0.500 0.000 0.984 60 Q CA 2.911 58.382 55.803 -0.554 0.000 0.875 60 Q CB -0.397 28.217 28.738 -0.208 0.000 0.910 60 Q HN -0.674 7.312 8.270 -0.474 0.000 0.433 61 L N -1.193 119.663 121.223 -0.612 0.000 2.017 61 L HA -0.327 nan 4.340 nan 0.000 0.208 61 L C 1.798 178.429 176.870 -0.398 0.000 1.073 61 L CA 3.295 57.810 54.840 -0.542 0.000 0.745 61 L CB 0.016 41.711 42.059 -0.608 0.000 0.894 61 L HN -0.158 7.535 8.230 -0.672 0.134 0.432 62 L N -2.920 118.001 121.223 -0.503 0.000 2.131 62 L HA -0.309 nan 4.340 nan 0.000 0.206 62 L C 2.361 179.023 176.870 -0.347 0.000 1.087 62 L CA 2.584 57.123 54.840 -0.501 0.000 0.767 62 L CB -0.070 41.524 42.059 -0.774 0.000 0.917 62 L HN -0.591 7.182 8.230 -0.620 0.085 0.441 63 L N -3.134 117.851 121.223 -0.397 0.000 2.549 63 L HA -0.293 nan 4.340 nan 0.000 0.229 63 L C 1.166 177.932 176.870 -0.174 0.000 1.158 63 L CA 2.421 57.080 54.840 -0.301 0.000 0.842 63 L CB -0.916 40.865 42.059 -0.464 0.000 0.952 63 L HN 0.192 8.114 8.230 -0.512 0.000 0.452 64 T N -6.891 107.568 114.554 -0.158 0.000 3.105 64 T HA 0.152 nan 4.350 nan 0.000 0.253 64 T C 0.576 175.258 174.700 -0.029 0.000 1.047 64 T CA -1.741 60.310 62.100 -0.081 0.000 0.944 64 T CB -0.784 68.032 68.868 -0.088 0.000 1.016 64 T HN -0.639 7.423 8.240 -0.211 0.052 0.544 65 A N 4.254 127.074 122.820 -0.001 0.000 2.545 65 A HA -0.093 nan 4.320 nan 0.000 0.253 65 A C -0.438 177.167 177.584 0.035 0.000 1.074 65 A CA 0.289 52.360 52.037 0.055 0.000 0.760 65 A CB 0.539 19.636 19.000 0.163 0.000 1.005 65 A HN -0.503 7.568 8.150 -0.020 0.067 0.506 66 D N 3.368 123.784 120.400 0.027 0.000 2.319 66 D HA -0.304 nan 4.640 nan 0.000 0.235 66 D C 0.832 177.143 176.300 0.018 0.000 1.304 66 D CA 0.156 54.168 54.000 0.020 0.000 0.894 66 D CB 0.480 41.291 40.800 0.019 0.000 1.183 66 D HN 0.059 8.447 8.370 0.029 0.000 0.472 67 D N -2.156 118.253 120.400 0.015 0.000 2.315 67 D HA -0.346 nan 4.640 nan 0.000 0.211 67 D C 0.564 176.870 176.300 0.010 0.000 0.977 67 D CA 2.717 56.725 54.000 0.013 0.000 0.894 67 D CB -0.737 40.071 40.800 0.013 0.000 0.910 67 D HN 0.341 8.720 8.370 0.015 0.000 0.490 68 R N -0.940 119.564 120.500 0.006 0.000 2.120 68 R HA -0.167 nan 4.340 nan 0.000 0.234 68 R C 1.721 178.014 176.300 -0.012 0.000 1.123 68 R CA 2.309 58.408 56.100 -0.001 0.000 0.975 68 R CB 0.322 30.620 30.300 -0.004 0.000 0.866 68 R HN -0.727 7.684 8.270 0.009 -0.136 0.446 69 V N -2.844 117.061 119.914 -0.015 0.000 2.591 69 V HA -0.168 nan 4.120 nan 0.000 0.249 69 V C 1.863 177.957 176.094 -0.001 0.000 1.053 69 V CA 2.719 64.999 62.300 -0.033 0.000 1.068 69 V CB -0.469 31.340 31.823 -0.024 0.000 0.689 69 V HN -0.006 8.159 8.190 -0.002 0.024 0.462 70 N N 0.686 119.393 118.700 0.013 0.000 2.058 70 N HA -0.251 nan 4.740 nan 0.000 0.200 70 N C -0.145 175.374 175.510 0.016 0.000 1.033 70 N CA 4.079 57.139 53.050 0.018 0.000 0.880 70 N CB -2.770 35.727 38.487 0.016 0.000 1.069 70 N HN -0.406 7.892 8.380 0.013 0.090 0.461 71 P HA -0.100 nan 4.420 nan 0.000 0.218 71 P C 0.018 177.333 177.300 0.025 0.000 1.146 71 P CA 1.910 65.020 63.100 0.017 0.000 0.813 71 P CB -0.270 31.441 31.700 0.018 0.000 0.778 72 C N -5.311 114.009 119.300 0.034 0.000 2.464 72 C HA -0.089 nan 4.460 nan 0.000 0.278 72 C C -0.389 174.643 174.990 0.071 0.000 1.375 72 C CA 0.929 59.994 59.018 0.079 0.000 1.761 72 C CB -0.176 27.605 27.740 0.068 0.000 1.944 72 C HN -0.331 7.768 8.230 0.021 0.143 0.509 73 I N -0.483 120.105 120.570 0.030 0.000 2.328 73 I HA 0.136 nan 4.170 nan 0.000 0.287 73 I C 0.171 176.267 176.117 -0.035 0.000 1.012 73 I CA -2.453 58.848 61.300 0.001 0.000 1.195 73 I CB -1.389 36.651 38.000 0.067 0.000 1.350 73 I HN -0.556 7.565 8.210 0.028 0.106 0.464 74 G N 5.819 114.554 108.800 -0.107 0.000 2.411 74 G HA2 -0.031 nan 3.960 nan 0.000 0.213 74 G HA3 -0.031 nan 3.960 nan 0.000 0.213 74 G C -1.405 173.466 174.900 -0.049 0.000 1.166 74 G CA 0.731 45.773 45.100 -0.096 0.000 0.802 74 G HN 0.901 9.031 8.290 -0.190 0.046 0.533 75 G N -3.405 105.371 108.800 -0.040 0.000 2.692 75 G HA2 0.676 nan 3.960 nan 0.000 0.291 75 G HA3 0.676 nan 3.960 nan 0.000 0.291 75 G C -3.041 171.948 174.900 0.148 0.000 1.423 75 G CA -0.154 45.015 45.100 0.114 0.000 0.843 75 G HN -0.884 7.350 8.290 -0.093 0.000 0.486 76 V N 0.301 120.339 119.914 0.206 0.000 2.577 76 V HA 0.719 nan 4.120 nan 0.000 0.303 76 V C -1.160 174.959 176.094 0.041 0.000 1.042 76 V CA -1.252 61.106 62.300 0.097 0.000 0.872 76 V CB 2.577 34.400 31.823 -0.000 0.000 0.998 76 V HN 0.180 8.522 8.190 0.255 0.000 0.423 77 I N 6.083 126.679 120.570 0.044 0.000 2.353 77 I HA 0.633 nan 4.170 nan 0.000 0.293 77 I C -0.650 175.416 176.117 -0.085 0.000 0.992 77 I CA -0.399 60.858 61.300 -0.071 0.000 1.268 77 I CB 0.205 38.229 38.000 0.040 0.000 1.387 77 I HN -0.226 8.031 8.210 0.078 0.000 0.478 78 L N 1.159 122.298 121.223 -0.140 0.000 2.279 78 L HA 0.562 nan 4.340 nan 0.000 0.262 78 L C -1.262 175.601 176.870 -0.013 0.000 1.019 78 L CA -2.632 52.161 54.840 -0.079 0.000 0.823 78 L CB 2.329 44.319 42.059 -0.116 0.000 1.358 78 L HN 0.493 8.475 8.230 -0.229 0.111 0.432 79 F N -0.367 119.523 119.950 -0.099 0.000 2.370 79 F HA 0.080 nan 4.527 nan 0.000 0.324 79 F C 0.750 176.528 175.800 -0.037 0.000 1.116 79 F CA -0.918 57.055 58.000 -0.046 0.000 1.123 79 F CB 2.758 41.758 39.000 -0.000 0.000 1.238 79 F HN 0.007 8.411 8.300 0.173 0.000 0.536 80 H N 4.642 123.205 119.070 -0.846 0.000 2.390 80 H HA -0.422 nan 4.556 nan 0.000 0.298 80 H C 1.249 176.457 175.328 -0.199 0.000 1.106 80 H CA 4.271 60.022 56.048 -0.496 0.000 1.297 80 H CB 0.202 29.679 29.762 -0.475 0.000 1.375 80 H HN 0.620 8.090 8.280 -1.350 0.000 0.509 81 E N -2.027 118.121 120.200 -0.086 0.000 2.023 81 E HA -0.299 nan 4.350 nan 0.000 0.196 81 E C 2.285 178.931 176.600 0.076 0.000 1.003 81 E CA 3.652 60.133 56.400 0.135 0.000 0.809 81 E CB -0.036 29.875 29.700 0.351 0.000 0.755 81 E HN 0.470 8.651 8.360 -0.269 0.017 0.449 82 T N 0.878 115.499 114.554 0.111 0.000 2.849 82 T HA -0.228 nan 4.350 nan 0.000 0.270 82 T C 2.301 177.014 174.700 0.022 0.000 1.066 82 T CA 3.059 65.239 62.100 0.134 0.000 1.130 82 T CB -0.806 68.144 68.868 0.138 0.000 0.864 82 T HN -0.000 8.352 8.240 0.188 0.000 0.481 83 L N 2.434 123.527 121.223 -0.216 0.000 2.042 83 L HA -0.313 nan 4.340 nan 0.000 0.210 83 L C 0.013 176.586 176.870 -0.495 0.000 1.076 83 L CA 2.898 57.470 54.840 -0.448 0.000 0.749 83 L CB -0.239 41.339 42.059 -0.801 0.000 0.893 83 L HN -0.602 7.448 8.230 -0.245 0.033 0.432 84 Y N -6.545 113.665 120.300 -0.150 0.000 2.495 84 Y HA -0.030 nan 4.550 nan 0.000 0.293 84 Y C -0.277 175.526 175.900 -0.162 0.000 1.186 84 Y CA -0.585 57.430 58.100 -0.142 0.000 1.266 84 Y CB -0.927 37.447 38.460 -0.144 0.000 1.101 84 Y HN -0.894 7.209 8.280 -0.277 0.010 0.517 85 Q N 0.245 119.962 119.800 -0.138 0.000 2.256 85 Q HA 0.221 nan 4.340 nan 0.000 0.257 85 Q C -0.761 174.701 176.000 -0.897 0.000 0.936 85 Q CA -1.006 54.588 55.803 -0.348 0.000 0.903 85 Q CB 2.325 30.949 28.738 -0.189 0.000 1.263 85 Q HN -0.548 7.456 8.270 -0.131 0.188 0.440 86 K N 1.078 121.036 120.400 -0.737 0.000 2.267 86 K HA 0.722 nan 4.320 nan 0.000 0.236 86 K C -1.311 174.823 176.600 -0.777 0.000 1.030 86 K CA -1.809 54.045 56.287 -0.723 0.000 0.930 86 K CB 2.452 34.780 32.500 -0.288 0.000 1.182 86 K HN 0.327 8.306 8.250 -0.453 0.000 0.474 87 A N -2.010 120.643 122.820 -0.278 0.000 2.282 87 A HA 0.404 nan 4.320 nan 0.000 0.324 87 A C 0.697 178.319 177.584 0.063 0.000 1.119 87 A CA -2.282 49.812 52.037 0.095 0.000 0.880 87 A CB 1.784 20.956 19.000 0.286 0.000 1.294 87 A HN 0.228 8.148 8.150 -0.203 0.109 0.493 88 D N 0.597 121.068 120.400 0.118 0.000 2.182 88 D HA -0.290 nan 4.640 nan 0.000 0.201 88 D C 0.251 176.592 176.300 0.068 0.000 0.986 88 D CA 3.072 57.131 54.000 0.099 0.000 0.847 88 D CB -0.258 40.621 40.800 0.132 0.000 0.942 88 D HN 0.301 9.113 8.370 0.165 -0.342 0.467 89 D N -3.772 116.668 120.400 0.065 0.000 2.324 89 D HA -0.080 nan 4.640 nan 0.000 0.235 89 D C 1.000 177.318 176.300 0.031 0.000 1.095 89 D CA -0.127 53.901 54.000 0.048 0.000 0.871 89 D CB -1.051 39.779 40.800 0.049 0.000 0.906 89 D HN -0.464 7.926 8.370 0.082 0.029 0.522 90 G N 0.016 108.828 108.800 0.019 0.000 2.284 90 G HA2 -0.444 nan 3.960 nan 0.000 0.261 90 G HA3 -0.444 nan 3.960 nan 0.000 0.261 90 G C -0.359 174.530 174.900 -0.018 0.000 0.997 90 G CA 0.090 45.188 45.100 -0.003 0.000 0.621 90 G HN -0.069 8.029 8.290 0.024 0.207 0.534 91 R N 1.145 121.645 120.500 -0.001 0.000 2.438 91 R HA 0.167 nan 4.340 nan 0.000 0.287 91 R C -1.820 174.459 176.300 -0.036 0.000 1.077 91 R CA -2.521 53.579 56.100 -0.001 0.000 1.034 91 R CB 0.014 30.332 30.300 0.031 0.000 0.993 91 R HN 0.021 8.201 8.270 0.020 0.101 0.459 92 P HA 0.113 nan 4.420 nan 0.000 0.276 92 P C 0.433 177.738 177.300 0.009 0.000 1.235 92 P CA -0.247 62.780 63.100 -0.121 0.000 0.772 92 P CB 0.353 32.009 31.700 -0.074 0.000 0.871 93 F N 3.746 123.664 119.950 -0.053 0.000 2.082 93 F HA -0.427 nan 4.527 nan 0.000 0.298 93 F C 0.055 175.808 175.800 -0.078 0.000 1.091 93 F CA 4.018 61.974 58.000 -0.073 0.000 1.230 93 F CB -3.443 35.499 39.000 -0.095 0.000 0.983 93 F HN 0.311 8.337 8.300 -0.456 0.000 0.485 94 P HA -0.331 nan 4.420 nan 0.000 0.215 94 P C 1.727 179.041 177.300 0.023 0.000 1.157 94 P CA 3.087 66.197 63.100 0.016 0.000 0.868 94 P CB -0.540 31.138 31.700 -0.036 0.000 0.788 95 Q N -1.543 118.274 119.800 0.028 0.000 2.112 95 Q HA -0.351 nan 4.340 nan 0.000 0.206 95 Q C 2.505 178.524 176.000 0.033 0.000 0.987 95 Q CA 3.350 59.168 55.803 0.026 0.000 0.858 95 Q CB -0.145 28.607 28.738 0.023 0.000 0.905 95 Q HN -0.432 7.854 8.270 0.027 0.000 0.420 96 V N -0.062 119.882 119.914 0.051 0.000 2.358 96 V HA -0.391 nan 4.120 nan 0.000 0.246 96 V C 2.258 178.364 176.094 0.020 0.000 1.047 96 V CA 4.051 66.376 62.300 0.043 0.000 1.035 96 V CB -0.843 31.019 31.823 0.066 0.000 0.658 96 V HN -0.725 7.501 8.190 0.076 0.009 0.452 97 I N -0.633 119.945 120.570 0.013 0.000 2.127 97 I HA -0.677 nan 4.170 nan 0.000 0.241 97 I C 1.981 178.106 176.117 0.013 0.000 1.075 97 I CA 4.482 65.782 61.300 0.000 0.000 1.334 97 I CB -0.353 37.640 38.000 -0.011 0.000 1.040 97 I HN -0.356 7.795 8.210 0.026 0.074 0.405 98 K N -0.964 119.446 120.400 0.016 0.000 2.103 98 K HA -0.370 nan 4.320 nan 0.000 0.207 98 K C 3.072 179.683 176.600 0.019 0.000 1.048 98 K CA 3.619 59.918 56.287 0.020 0.000 0.930 98 K CB -0.166 32.345 32.500 0.019 0.000 0.716 98 K HN -0.029 8.230 8.250 0.015 0.000 0.444 99 S N 0.264 115.975 115.700 0.019 0.000 2.419 99 S HA -0.160 nan 4.470 nan 0.000 0.233 99 S C 1.230 175.841 174.600 0.017 0.000 1.016 99 S CA 2.976 61.187 58.200 0.018 0.000 0.974 99 S CB -0.511 62.701 63.200 0.019 0.000 0.786 99 S HN 0.032 8.277 8.310 0.020 0.076 0.492 100 K N -0.427 119.983 120.400 0.017 0.000 2.366 100 K HA 0.000 nan 4.320 nan 0.000 0.198 100 K C 0.301 176.912 176.600 0.018 0.000 1.044 100 K CA -0.693 55.604 56.287 0.017 0.000 0.973 100 K CB 0.040 32.550 32.500 0.016 0.000 0.767 100 K HN -0.510 7.617 8.250 0.016 0.133 0.475 101 G N -3.111 105.700 108.800 0.018 0.000 2.159 101 G HA2 -0.245 nan 3.960 nan 0.000 0.227 101 G HA3 -0.245 nan 3.960 nan 0.000 0.227 101 G C -0.693 174.219 174.900 0.021 0.000 0.986 101 G CA -0.200 44.911 45.100 0.018 0.000 0.651 101 G HN -0.320 7.786 8.290 0.019 0.195 0.523 102 G N -1.293 107.522 108.800 0.025 0.000 2.434 102 G HA2 0.641 nan 3.960 nan 0.000 0.330 102 G HA3 0.641 nan 3.960 nan 0.000 0.330 102 G C -0.969 173.964 174.900 0.055 0.000 1.155 102 G CA -1.479 43.642 45.100 0.035 0.000 0.917 102 G HN -0.752 7.512 8.290 0.024 0.041 0.493 103 V N 1.644 121.616 119.914 0.096 0.000 2.644 103 V HA 0.186 nan 4.120 nan 0.000 0.295 103 V C -0.436 175.761 176.094 0.171 0.000 1.053 103 V CA -0.256 62.134 62.300 0.150 0.000 0.987 103 V CB 1.626 33.586 31.823 0.229 0.000 1.006 103 V HN 0.110 8.355 8.190 0.091 0.000 0.472 104 V N 3.215 123.159 119.914 0.049 0.000 2.465 104 V HA 0.586 nan 4.120 nan 0.000 0.279 104 V C -0.504 175.324 176.094 -0.442 0.000 1.045 104 V CA -1.332 60.898 62.300 -0.116 0.000 0.938 104 V CB 0.171 31.923 31.823 -0.119 0.000 0.986 104 V HN 0.587 8.804 8.190 0.045 0.000 0.467 105 G N 4.578 112.895 108.800 -0.806 0.000 2.630 105 G HA2 1.006 nan 3.960 nan 0.000 0.296 105 G HA3 1.006 nan 3.960 nan 0.000 0.296 105 G C -3.205 171.246 174.900 -0.748 0.000 1.285 105 G CA -1.835 42.336 45.100 -1.548 0.000 0.958 105 G HN 0.705 8.698 8.290 -0.495 0.000 0.479 106 I N -2.002 118.207 120.570 -0.602 0.000 2.827 106 I HA 0.481 nan 4.170 nan 0.000 0.298 106 I C -2.715 173.275 176.117 -0.212 0.000 1.235 106 I CA -1.651 59.412 61.300 -0.395 0.000 1.021 106 I CB 4.196 41.841 38.000 -0.591 0.000 1.259 106 I HN -0.149 7.672 8.210 -0.648 0.000 0.427 107 K N 7.222 127.554 120.400 -0.114 0.000 2.316 107 K HA 0.187 nan 4.320 nan 0.000 0.289 107 K C -0.367 176.229 176.600 -0.006 0.000 1.070 107 K CA 0.369 56.649 56.287 -0.012 0.000 0.928 107 K CB 0.436 32.969 32.500 0.054 0.000 1.039 107 K HN -0.112 8.069 8.250 -0.115 0.000 0.480 108 V N -1.145 118.821 119.914 0.086 0.000 3.644 108 V HA 0.251 nan 4.120 nan 0.000 0.267 108 V C -0.465 175.723 176.094 0.158 0.000 1.277 108 V CA -0.929 61.486 62.300 0.192 0.000 1.096 108 V CB -0.056 31.991 31.823 0.372 0.000 0.828 108 V HN 0.208 8.470 8.190 0.121 0.000 0.446 109 D N 0.721 121.067 120.400 -0.090 0.000 2.362 109 D HA -0.040 nan 4.640 nan 0.000 0.242 109 D C -0.114 175.975 176.300 -0.352 0.000 1.132 109 D CA 0.294 53.918 54.000 -0.627 0.000 0.907 109 D CB 0.849 40.776 40.800 -1.456 0.000 1.195 109 D HN -0.703 7.611 8.370 -0.093 0.000 0.429 110 K N 1.888 122.070 120.400 -0.365 0.000 2.814 110 K HA 0.093 nan 4.320 nan 0.000 0.213 110 K C -0.299 176.201 176.600 -0.167 0.000 1.113 110 K CA -1.894 54.295 56.287 -0.163 0.000 1.145 110 K CB -0.013 32.450 32.500 -0.061 0.000 0.948 110 K HN -0.063 7.864 8.250 -0.538 0.000 0.464 111 G N -0.836 107.818 108.800 -0.243 0.000 2.758 111 G HA2 -0.333 nan 3.960 nan 0.000 0.686 111 G HA3 -0.333 nan 3.960 nan 0.000 0.686 111 G C -2.520 172.274 174.900 -0.177 0.000 1.389 111 G CA -0.526 44.465 45.100 -0.182 0.000 0.845 111 G HN -0.524 7.783 8.290 -0.339 -0.221 0.572 112 V N -3.680 116.155 119.914 -0.131 0.000 2.904 112 V HA 0.698 nan 4.120 nan 0.000 0.305 112 V C -0.726 175.335 176.094 -0.054 0.000 1.067 112 V CA -1.825 60.419 62.300 -0.094 0.000 1.044 112 V CB 1.141 32.917 31.823 -0.077 0.000 1.050 112 V HN -0.153 7.966 8.190 -0.118 0.000 0.475 113 V N -3.421 116.474 119.914 -0.032 0.000 2.733 113 V HA 0.627 nan 4.120 nan 0.000 0.306 113 V C -2.580 173.509 176.094 -0.008 0.000 1.084 113 V CA -3.869 58.422 62.300 -0.016 0.000 0.905 113 V CB 2.897 34.718 31.823 -0.005 0.000 1.010 113 V HN 0.881 8.948 8.190 -0.029 0.105 0.424 114 P HA 0.435 nan 4.420 nan 0.000 0.272 114 P C -1.117 176.185 177.300 0.003 0.000 1.223 114 P CA -0.377 62.722 63.100 -0.003 0.000 0.784 114 P CB 0.722 32.420 31.700 -0.003 0.000 0.923 115 L N 0.952 122.178 121.223 0.005 0.000 2.295 115 L HA 0.256 nan 4.340 nan 0.000 0.285 115 L C 0.103 176.977 176.870 0.007 0.000 1.035 115 L CA -1.149 53.696 54.840 0.008 0.000 0.806 115 L CB 0.994 43.058 42.059 0.009 0.000 1.214 115 L HN -0.247 7.985 8.230 0.003 0.000 0.426 116 A N 3.402 126.227 122.820 0.008 0.000 2.492 116 A HA -0.079 nan 4.320 nan 0.000 0.254 116 A C 0.821 178.409 177.584 0.008 0.000 1.091 116 A CA 1.167 53.208 52.037 0.007 0.000 0.768 116 A CB -0.280 18.724 19.000 0.007 0.000 1.028 116 A HN 0.529 8.684 8.150 0.008 0.000 0.498 117 G N 3.328 112.133 108.800 0.008 0.000 2.176 117 G HA2 -0.238 nan 3.960 nan 0.000 0.232 117 G HA3 -0.238 nan 3.960 nan 0.000 0.232 117 G C -0.243 174.664 174.900 0.012 0.000 0.986 117 G CA -0.263 44.843 45.100 0.009 0.000 0.643 117 G HN 0.358 8.653 8.290 0.008 0.000 0.522 118 T N -1.164 113.397 114.554 0.012 0.000 2.923 118 T HA 0.175 nan 4.350 nan 0.000 0.281 118 T C -0.051 174.659 174.700 0.017 0.000 0.995 118 T CA -1.902 60.207 62.100 0.015 0.000 0.985 118 T CB 1.379 70.254 68.868 0.012 0.000 1.114 118 T HN -0.584 7.615 8.240 0.010 0.048 0.548 119 N N 1.785 120.498 118.700 0.021 0.000 3.271 119 N HA 0.054 nan 4.740 nan 0.000 0.303 119 N C 0.424 175.941 175.510 0.010 0.000 1.415 119 N CA -1.637 51.425 53.050 0.020 0.000 1.159 119 N CB -1.077 37.429 38.487 0.032 0.000 1.432 119 N HN 0.501 8.895 8.380 0.024 0.000 0.521 120 G N -1.888 106.916 108.800 0.006 0.000 2.176 120 G HA2 -0.381 nan 3.960 nan 0.000 0.253 120 G HA3 -0.381 nan 3.960 nan 0.000 0.253 120 G C -0.788 174.111 174.900 -0.002 0.000 0.979 120 G CA 0.412 45.513 45.100 0.001 0.000 0.641 120 G HN -0.530 7.709 8.290 0.008 0.056 0.530 121 E N 0.763 120.963 120.200 0.000 0.000 2.366 121 E HA 0.138 nan 4.350 nan 0.000 0.266 121 E C -0.773 175.825 176.600 -0.004 0.000 1.051 121 E CA -0.252 56.146 56.400 -0.003 0.000 0.884 121 E CB 0.836 30.536 29.700 -0.001 0.000 1.006 121 E HN -0.375 7.934 8.360 0.004 0.054 0.417 122 T N -1.584 112.965 114.554 -0.009 0.000 2.905 122 T HA 0.674 nan 4.350 nan 0.000 0.283 122 T C -1.139 173.559 174.700 -0.003 0.000 1.031 122 T CA -2.179 59.915 62.100 -0.009 0.000 1.002 122 T CB 2.216 71.071 68.868 -0.021 0.000 1.200 122 T HN 0.252 8.484 8.240 -0.012 0.000 0.560 123 T N 0.478 115.033 114.554 0.001 0.000 2.716 123 T HA 0.415 nan 4.350 nan 0.000 0.286 123 T C -1.897 172.809 174.700 0.011 0.000 1.052 123 T CA -1.603 60.510 62.100 0.023 0.000 1.024 123 T CB 2.994 71.885 68.868 0.040 0.000 1.349 123 T HN 0.347 8.585 8.240 -0.004 0.000 0.525 124 T N 2.634 117.222 114.554 0.056 0.000 2.876 124 T HA 0.647 nan 4.350 nan 0.000 0.289 124 T C -1.125 173.635 174.700 0.100 0.000 1.014 124 T CA -0.633 61.455 62.100 -0.021 0.000 0.986 124 T CB 1.923 70.654 68.868 -0.229 0.000 1.021 124 T HN 0.229 8.547 8.240 0.129 0.000 0.458 125 Q N 3.448 123.243 119.800 -0.008 0.000 2.241 125 Q HA 0.336 nan 4.340 nan 0.000 0.262 125 Q C -0.195 175.855 176.000 0.083 0.000 1.014 125 Q CA -1.521 54.338 55.803 0.093 0.000 0.885 125 Q CB 2.579 31.338 28.738 0.036 0.000 1.311 125 Q HN 0.571 8.773 8.270 -0.113 0.000 0.461 126 G N -0.872 108.087 108.800 0.265 0.000 2.507 126 G HA2 -0.138 nan 3.960 nan 0.000 0.205 126 G HA3 -0.138 nan 3.960 nan 0.000 0.205 126 G C -0.204 174.986 174.900 0.482 0.000 0.996 126 G CA -0.073 45.215 45.100 0.314 0.000 0.776 126 G HN 0.438 8.875 8.290 0.245 0.000 0.532 127 L N -0.290 121.152 121.223 0.364 0.000 2.375 127 L HA 0.128 nan 4.340 nan 0.000 0.215 127 L C -0.112 176.829 176.870 0.117 0.000 1.108 127 L CA 0.269 55.218 54.840 0.181 0.000 0.830 127 L CB -0.647 41.452 42.059 0.067 0.000 0.959 127 L HN -0.082 8.356 8.230 0.345 0.000 0.457 128 D N 0.219 120.685 120.400 0.109 0.000 2.451 128 D HA -0.073 nan 4.640 nan 0.000 0.254 128 D C 0.935 177.267 176.300 0.055 0.000 1.204 128 D CA 1.420 55.460 54.000 0.066 0.000 0.896 128 D CB -0.559 40.273 40.800 0.054 0.000 1.136 128 D HN -0.193 8.255 8.370 0.131 0.000 0.499 129 G N 4.182 113.003 108.800 0.036 0.000 2.225 129 G HA2 -0.383 nan 3.960 nan 0.000 0.267 129 G HA3 -0.383 nan 3.960 nan 0.000 0.267 129 G C 0.492 175.409 174.900 0.028 0.000 1.024 129 G CA 0.741 45.853 45.100 0.020 0.000 0.784 129 G HN 0.379 8.688 8.290 0.032 0.000 0.507 130 L N -0.273 120.984 121.223 0.056 0.000 2.093 130 L HA -0.237 nan 4.340 nan 0.000 0.208 130 L C 0.940 177.841 176.870 0.051 0.000 1.085 130 L CA 2.863 57.754 54.840 0.085 0.000 0.755 130 L CB -0.159 41.971 42.059 0.120 0.000 0.904 130 L HN -0.309 7.920 8.230 0.059 0.037 0.435 131 S N -0.873 114.842 115.700 0.025 0.000 2.359 131 S HA -0.412 nan 4.470 nan 0.000 0.224 131 S C 2.146 176.741 174.600 -0.007 0.000 1.035 131 S CA 4.043 62.248 58.200 0.010 0.000 1.018 131 S CB -0.907 62.294 63.200 0.001 0.000 0.876 131 S HN 0.434 8.758 8.310 0.023 0.000 0.448 132 E N 0.839 121.028 120.200 -0.019 0.000 2.058 132 E HA -0.320 nan 4.350 nan 0.000 0.194 132 E C 2.392 178.936 176.600 -0.094 0.000 0.997 132 E CA 3.485 59.858 56.400 -0.045 0.000 0.801 132 E CB -0.733 28.942 29.700 -0.043 0.000 0.746 132 E HN 0.124 8.471 8.360 -0.010 0.006 0.450 133 R N -0.445 119.987 120.500 -0.114 0.000 2.081 133 R HA -0.282 nan 4.340 nan 0.000 0.235 133 R C 2.558 178.680 176.300 -0.297 0.000 1.131 133 R CA 3.202 59.130 56.100 -0.285 0.000 0.960 133 R CB -0.182 30.023 30.300 -0.159 0.000 0.856 133 R HN -0.565 7.669 8.270 -0.060 0.000 0.436 134 C N -1.602 117.685 119.300 -0.020 0.000 2.422 134 C HA -0.224 nan 4.460 nan 0.000 0.279 134 C C 1.984 177.003 174.990 0.048 0.000 1.305 134 C CA 3.977 63.053 59.018 0.098 0.000 1.757 134 C CB -2.106 25.691 27.740 0.095 0.000 1.962 134 C HN 0.446 8.495 8.230 0.005 0.184 0.499 135 A N -0.167 122.645 122.820 -0.013 0.000 1.873 135 A HA -0.302 nan 4.320 nan 0.000 0.215 135 A C 1.705 179.280 177.584 -0.016 0.000 1.186 135 A CA 3.408 55.441 52.037 -0.007 0.000 0.616 135 A CB -0.959 18.030 19.000 -0.019 0.000 0.823 135 A HN -0.081 7.941 8.150 -0.034 0.108 0.442 136 Q N -0.823 118.922 119.800 -0.092 0.000 2.170 136 Q HA -0.281 nan 4.340 nan 0.000 0.203 136 Q C 2.507 178.507 176.000 0.001 0.000 0.976 136 Q CA 2.588 58.336 55.803 -0.091 0.000 0.858 136 Q CB -0.326 28.292 28.738 -0.200 0.000 0.907 136 Q HN -0.361 7.824 8.270 -0.140 0.000 0.433 137 Y N -1.230 119.100 120.300 0.049 0.000 2.263 137 Y HA -0.307 nan 4.550 nan 0.000 0.292 137 Y C 2.132 178.024 175.900 -0.014 0.000 1.130 137 Y CA 1.446 59.550 58.100 0.007 0.000 1.179 137 Y CB -0.528 37.932 38.460 -0.000 0.000 0.998 137 Y HN 0.050 8.147 8.280 -0.127 0.106 0.532 138 K N -0.275 120.219 120.400 0.158 0.000 2.002 138 K HA -0.359 nan 4.320 nan 0.000 0.209 138 K C 2.351 178.991 176.600 0.068 0.000 1.048 138 K CA 2.642 58.982 56.287 0.088 0.000 0.930 138 K CB -0.346 32.194 32.500 0.067 0.000 0.714 138 K HN -0.127 8.213 8.250 0.150 0.000 0.438 139 K N -0.675 119.763 120.400 0.063 0.000 2.089 139 K HA -0.286 nan 4.320 nan 0.000 0.210 139 K C 1.698 178.335 176.600 0.061 0.000 1.048 139 K CA 3.056 59.374 56.287 0.051 0.000 0.926 139 K CB -0.264 32.260 32.500 0.040 0.000 0.714 139 K HN -0.226 8.061 8.250 0.062 0.000 0.448 140 D N -3.983 116.470 120.400 0.089 0.000 2.349 140 D HA -0.024 nan 4.640 nan 0.000 0.224 140 D C -0.056 176.254 176.300 0.016 0.000 1.029 140 D CA 0.492 54.540 54.000 0.080 0.000 0.879 140 D CB 0.610 41.490 40.800 0.133 0.000 0.906 140 D HN -0.391 7.836 8.370 0.114 0.212 0.528 141 G N -3.229 105.580 108.800 0.016 0.000 2.148 141 G HA2 -0.345 nan 3.960 nan 0.000 0.157 141 G HA3 -0.345 nan 3.960 nan 0.000 0.157 141 G C -1.667 173.212 174.900 -0.036 0.000 1.012 141 G CA -0.113 44.980 45.100 -0.011 0.000 0.677 141 G HN -0.193 7.938 8.290 0.037 0.181 0.506 142 A N -0.917 121.885 122.820 -0.029 0.000 2.330 142 A HA 0.472 nan 4.320 nan 0.000 0.327 142 A C -1.421 176.151 177.584 -0.019 0.000 1.155 142 A CA -1.170 50.818 52.037 -0.081 0.000 0.803 142 A CB 1.576 20.487 19.000 -0.148 0.000 1.208 142 A HN -0.218 7.940 8.150 0.013 0.000 0.477 143 D N 0.496 120.892 120.400 -0.007 0.000 2.417 143 D HA 0.433 nan 4.640 nan 0.000 0.207 143 D C -0.631 175.782 176.300 0.187 0.000 1.075 143 D CA 1.405 55.460 54.000 0.093 0.000 0.851 143 D CB 2.999 43.877 40.800 0.131 0.000 0.976 143 D HN 0.220 8.556 8.370 -0.057 0.000 0.505 144 F N -3.366 116.587 119.950 0.005 0.000 2.711 144 F HA 0.886 nan 4.527 nan 0.000 0.313 144 F C -2.906 172.909 175.800 0.024 0.000 1.141 144 F CA -1.744 56.263 58.000 0.013 0.000 0.941 144 F CB 3.206 42.206 39.000 -0.001 0.000 1.349 144 F HN -0.677 7.512 8.300 -0.185 0.000 0.464 145 A N -2.186 120.786 122.820 0.255 0.000 2.606 145 A HA 0.708 nan 4.320 nan 0.000 0.293 145 A C -3.127 174.693 177.584 0.392 0.000 1.082 145 A CA -0.260 51.870 52.037 0.155 0.000 0.685 145 A CB 3.540 22.640 19.000 0.166 0.000 1.284 145 A HN 0.659 9.088 8.150 0.465 0.000 0.408 146 K N -1.043 119.529 120.400 0.287 0.000 2.328 146 K HA 0.914 nan 4.320 nan 0.000 0.246 146 K C -2.274 174.396 176.600 0.116 0.000 0.955 146 K CA -1.901 54.546 56.287 0.266 0.000 0.817 146 K CB 3.583 36.198 32.500 0.192 0.000 1.208 146 K HN 0.312 8.656 8.250 0.157 0.000 0.432 147 W N 2.743 123.841 121.300 -0.336 0.000 3.097 147 W HA 0.267 nan 4.660 nan 0.000 0.335 147 W C -2.999 173.320 176.519 -0.334 0.000 1.114 147 W CA -1.054 55.955 57.345 -0.559 0.000 1.231 147 W CB 4.369 32.931 29.460 -1.497 0.000 1.388 147 W HN -0.063 8.149 8.180 0.052 0.000 0.485 148 R N 2.548 122.849 120.500 -0.331 0.000 2.589 148 R HA 0.659 nan 4.340 nan 0.000 0.293 148 R C -1.792 174.409 176.300 -0.166 0.000 0.963 148 R CA -1.592 54.407 56.100 -0.168 0.000 0.905 148 R CB 2.199 32.406 30.300 -0.156 0.000 1.144 148 R HN -0.472 7.584 8.270 -0.627 -0.163 0.459 149 C N 3.499 122.780 119.300 -0.031 0.000 2.383 149 C HA 0.509 nan 4.460 nan 0.000 0.330 149 C C -1.486 173.489 174.990 -0.026 0.000 1.168 149 C CA -0.373 58.642 59.018 -0.005 0.000 1.374 149 C CB 1.116 28.901 27.740 0.074 0.000 2.014 149 C HN 0.482 8.704 8.230 -0.013 0.000 0.439 150 V N 2.698 122.587 119.914 -0.041 0.000 2.439 150 V HA 0.683 nan 4.120 nan 0.000 0.282 150 V C -1.872 174.205 176.094 -0.029 0.000 1.039 150 V CA -2.315 59.963 62.300 -0.037 0.000 0.913 150 V CB 0.320 32.117 31.823 -0.044 0.000 0.983 150 V HN 0.276 8.435 8.190 -0.052 0.000 0.460 151 L N 5.549 126.754 121.223 -0.030 0.000 2.333 151 L HA 0.724 nan 4.340 nan 0.000 0.263 151 L C -2.296 174.553 176.870 -0.035 0.000 1.014 151 L CA -1.191 53.631 54.840 -0.030 0.000 0.820 151 L CB 5.128 47.167 42.059 -0.033 0.000 1.352 151 L HN 0.502 8.605 8.230 -0.031 0.108 0.421 152 K N -0.330 120.048 120.400 -0.036 0.000 2.468 152 K HA 0.567 nan 4.320 nan 0.000 0.252 152 K C -1.152 175.412 176.600 -0.060 0.000 0.932 152 K CA -1.598 54.663 56.287 -0.042 0.000 0.794 152 K CB 2.800 35.285 32.500 -0.026 0.000 1.241 152 K HN -0.347 8.050 8.250 -0.030 -0.165 0.428 153 I N 3.098 123.602 120.570 -0.111 0.000 2.371 153 I HA 0.105 nan 4.170 nan 0.000 0.290 153 I C -0.656 175.405 176.117 -0.093 0.000 1.028 153 I CA 0.086 61.279 61.300 -0.178 0.000 1.345 153 I CB 0.314 38.013 38.000 -0.502 0.000 1.407 153 I HN 0.361 8.503 8.210 -0.114 0.000 0.501 154 G N 3.914 112.681 108.800 -0.056 0.000 2.782 154 G HA2 0.247 nan 3.960 nan 0.000 0.304 154 G HA3 0.247 nan 3.960 nan 0.000 0.304 154 G C -0.956 173.911 174.900 -0.055 0.000 1.315 154 G CA 0.072 45.153 45.100 -0.032 0.000 0.791 154 G HN -0.067 8.093 8.290 -0.053 0.098 0.519 155 E N -1.212 118.916 120.200 -0.121 0.000 2.086 155 E HA -0.244 nan 4.350 nan 0.000 0.200 155 E C -0.147 176.285 176.600 -0.279 0.000 1.012 155 E CA 2.703 58.939 56.400 -0.273 0.000 0.812 155 E CB -0.250 29.174 29.700 -0.458 0.000 0.743 155 E HN 0.360 8.655 8.360 -0.107 0.000 0.453 156 H N -4.954 114.117 119.070 0.001 0.000 3.360 156 H HA 0.284 nan 4.556 nan 0.000 0.262 156 H C -0.458 174.871 175.328 0.001 0.000 1.149 156 H CA -0.691 55.359 56.048 0.002 0.000 1.181 156 H CB 1.573 31.337 29.762 0.003 0.000 1.564 156 H HN -0.359 7.861 8.280 -0.080 0.013 0.565 157 T N 0.368 114.972 114.554 0.083 0.000 2.918 157 T HA 0.487 nan 4.350 nan 0.000 0.283 157 T C -1.717 172.993 174.700 0.015 0.000 1.001 157 T CA -2.934 59.191 62.100 0.041 0.000 1.041 157 T CB 0.364 69.241 68.868 0.015 0.000 1.028 157 T HN -0.689 7.617 8.240 0.039 -0.042 0.511 158 P HA 0.206 nan 4.420 nan 0.000 0.278 158 P C -1.478 175.836 177.300 0.022 0.000 1.238 158 P CA -0.821 62.283 63.100 0.007 0.000 0.794 158 P CB 0.994 32.687 31.700 -0.011 0.000 0.955 159 S N 1.828 117.539 115.700 0.020 0.000 2.632 159 S HA 0.143 nan 4.470 nan 0.000 0.271 159 S C 1.384 175.990 174.600 0.010 0.000 1.260 159 S CA -1.380 56.832 58.200 0.020 0.000 1.010 159 S CB 2.762 65.973 63.200 0.019 0.000 0.965 159 S HN -0.103 8.481 8.310 0.015 -0.265 0.534 160 A N 3.337 126.162 122.820 0.009 0.000 1.917 160 A HA -0.211 nan 4.320 nan 0.000 0.219 160 A C 2.161 179.746 177.584 0.001 0.000 1.182 160 A CA 2.931 54.970 52.037 0.004 0.000 0.633 160 A CB -0.699 18.303 19.000 0.005 0.000 0.819 160 A HN 0.840 8.996 8.150 0.011 0.000 0.448 161 L N -1.461 119.764 121.223 0.003 0.000 2.201 161 L HA -0.203 nan 4.340 nan 0.000 0.212 161 L C 1.656 178.528 176.870 0.003 0.000 1.105 161 L CA 2.148 56.990 54.840 0.004 0.000 0.775 161 L CB -0.708 41.355 42.059 0.006 0.000 0.913 161 L HN -0.061 8.162 8.230 0.005 0.010 0.440 162 A N 0.503 123.324 122.820 0.002 0.000 1.855 162 A HA -0.280 nan 4.320 nan 0.000 0.215 162 A C 2.020 179.600 177.584 -0.008 0.000 1.191 162 A CA 3.203 55.240 52.037 -0.001 0.000 0.613 162 A CB -0.818 18.181 19.000 -0.002 0.000 0.829 162 A HN -0.594 7.415 8.150 0.003 0.143 0.442 163 I N -1.339 119.224 120.570 -0.012 0.000 2.127 163 I HA -0.494 nan 4.170 nan 0.000 0.241 163 I C 2.152 178.255 176.117 -0.022 0.000 1.075 163 I CA 2.809 64.096 61.300 -0.022 0.000 1.334 163 I CB -1.385 36.600 38.000 -0.024 0.000 1.040 163 I HN -0.173 8.032 8.210 -0.008 0.000 0.405 164 M N -0.124 119.467 119.600 -0.014 0.000 2.065 164 M HA -0.497 nan 4.480 nan 0.000 0.259 164 M C 1.995 178.288 176.300 -0.012 0.000 1.071 164 M CA 3.413 58.706 55.300 -0.011 0.000 1.109 164 M CB -1.021 31.577 32.600 -0.003 0.000 1.313 164 M HN 0.228 8.512 8.290 -0.010 0.000 0.408 165 E N -0.541 119.658 120.200 -0.003 0.000 2.023 165 E HA -0.407 nan 4.350 nan 0.000 0.196 165 E C 2.587 179.190 176.600 0.005 0.000 1.003 165 E CA 3.262 59.665 56.400 0.005 0.000 0.809 165 E CB -0.477 29.231 29.700 0.014 0.000 0.755 165 E HN -0.107 8.253 8.360 -0.001 0.000 0.449 166 N N -1.037 117.667 118.700 0.007 0.000 2.223 166 N HA -0.296 nan 4.740 nan 0.000 0.185 166 N C 2.268 177.768 175.510 -0.016 0.000 1.016 166 N CA 3.028 56.089 53.050 0.019 0.000 0.863 166 N CB 0.073 38.569 38.487 0.015 0.000 0.983 166 N HN -0.447 7.934 8.380 0.002 0.000 0.429 167 A N 0.187 122.979 122.820 -0.046 0.000 1.873 167 A HA -0.242 nan 4.320 nan 0.000 0.215 167 A C 1.891 179.401 177.584 -0.123 0.000 1.186 167 A CA 3.173 55.157 52.037 -0.087 0.000 0.616 167 A CB -0.504 18.448 19.000 -0.081 0.000 0.823 167 A HN -0.179 7.935 8.150 -0.036 0.013 0.442 168 N N -2.290 116.350 118.700 -0.101 0.000 2.309 168 N HA -0.208 nan 4.740 nan 0.000 0.182 168 N C 2.232 177.621 175.510 -0.201 0.000 1.018 168 N CA 2.667 55.627 53.050 -0.150 0.000 0.876 168 N CB 0.404 38.865 38.487 -0.043 0.000 0.972 168 N HN -0.275 8.068 8.380 -0.062 0.000 0.434 169 V N 0.541 120.384 119.914 -0.119 0.000 2.591 169 V HA -0.265 nan 4.120 nan 0.000 0.249 169 V C 1.063 177.003 176.094 -0.257 0.000 1.053 169 V CA 2.973 65.199 62.300 -0.124 0.000 1.068 169 V CB -0.476 31.363 31.823 0.026 0.000 0.689 169 V HN -0.276 7.845 8.190 -0.071 0.026 0.462 170 L N -0.633 120.471 121.223 -0.197 0.000 2.027 170 L HA -0.414 nan 4.340 nan 0.000 0.206 170 L C 1.728 178.484 176.870 -0.191 0.000 1.074 170 L CA 3.596 58.325 54.840 -0.185 0.000 0.745 170 L CB -0.680 41.325 42.059 -0.090 0.000 0.898 170 L HN -0.477 7.586 8.230 -0.131 0.089 0.433 171 A N -1.830 120.810 122.820 -0.301 0.000 1.940 171 A HA -0.365 nan 4.320 nan 0.000 0.219 171 A C 2.227 179.559 177.584 -0.419 0.000 1.176 171 A CA 3.241 55.031 52.037 -0.411 0.000 0.631 171 A CB -0.927 17.665 19.000 -0.681 0.000 0.814 171 A HN -0.260 7.710 8.150 -0.299 0.000 0.446 172 R N -1.819 118.433 120.500 -0.413 0.000 2.062 172 R HA -0.281 nan 4.340 nan 0.000 0.231 172 R C 2.079 178.241 176.300 -0.229 0.000 1.136 172 R CA 2.385 58.345 56.100 -0.233 0.000 0.948 172 R CB -0.467 29.730 30.300 -0.171 0.000 0.845 172 R HN -0.649 7.348 8.270 -0.431 0.015 0.430 173 Y N 0.582 120.587 120.300 -0.491 0.000 2.114 173 Y HA -0.486 nan 4.550 nan 0.000 0.282 173 Y C 1.234 176.960 175.900 -0.289 0.000 1.165 173 Y CA 3.174 60.940 58.100 -0.557 0.000 1.148 173 Y CB -0.608 37.197 38.460 -1.091 0.000 0.972 173 Y HN -0.475 7.597 8.280 -0.348 0.000 0.504 174 A N -2.254 120.138 122.820 -0.712 0.000 1.877 174 A HA -0.456 nan 4.320 nan 0.000 0.216 174 A C 1.768 179.146 177.584 -0.342 0.000 1.186 174 A CA 3.185 54.825 52.037 -0.662 0.000 0.620 174 A CB -0.980 17.803 19.000 -0.362 0.000 0.822 174 A HN 0.124 8.026 8.150 -0.405 0.005 0.443 175 S N -1.528 114.050 115.700 -0.204 0.000 2.447 175 S HA -0.250 nan 4.470 nan 0.000 0.233 175 S C 2.243 176.789 174.600 -0.089 0.000 1.006 175 S CA 3.103 61.250 58.200 -0.090 0.000 0.957 175 S CB -0.407 62.788 63.200 -0.008 0.000 0.773 175 S HN -0.404 7.783 8.310 -0.204 0.000 0.507 176 I N 1.983 122.475 120.570 -0.130 0.000 2.233 176 I HA -0.336 nan 4.170 nan 0.000 0.243 176 I C 1.550 177.618 176.117 -0.081 0.000 1.093 176 I CA 2.808 64.059 61.300 -0.081 0.000 1.380 176 I CB -1.044 36.916 38.000 -0.066 0.000 1.067 176 I HN -0.564 7.409 8.210 -0.186 0.125 0.413 177 C N 0.093 119.299 119.300 -0.157 0.000 2.413 177 C HA -0.445 nan 4.460 nan 0.000 0.277 177 C C 2.798 177.750 174.990 -0.063 0.000 1.228 177 C CA 4.471 63.418 59.018 -0.119 0.000 1.731 177 C CB -1.696 25.894 27.740 -0.250 0.000 2.042 177 C HN -0.236 7.832 8.230 -0.270 0.000 0.468 178 Q N -1.758 117.996 119.800 -0.076 0.000 2.152 178 Q HA -0.421 nan 4.340 nan 0.000 0.206 178 Q C 3.061 179.057 176.000 -0.006 0.000 0.985 178 Q CA 3.405 59.196 55.803 -0.020 0.000 0.863 178 Q CB -0.494 28.244 28.738 -0.001 0.000 0.904 178 Q HN 0.217 8.410 8.270 -0.128 0.000 0.422 179 Q N -1.339 118.453 119.800 -0.014 0.000 2.119 179 Q HA -0.178 nan 4.340 nan 0.000 0.201 179 Q C 1.118 177.119 176.000 0.001 0.000 0.972 179 Q CA 2.229 58.028 55.803 -0.005 0.000 0.847 179 Q CB -0.585 28.149 28.738 -0.007 0.000 0.903 179 Q HN -0.276 7.961 8.270 -0.028 0.017 0.433 180 N N -3.513 115.189 118.700 0.004 0.000 2.383 180 N HA 0.044 nan 4.740 nan 0.000 0.192 180 N C -0.389 175.137 175.510 0.026 0.000 1.141 180 N CA -0.118 52.941 53.050 0.016 0.000 0.851 180 N CB 0.247 38.749 38.487 0.025 0.000 0.976 180 N HN -0.625 7.645 8.380 -0.003 0.108 0.465 181 G N -0.467 108.347 108.800 0.023 0.000 2.246 181 G HA2 -0.324 nan 3.960 nan 0.000 0.273 181 G HA3 -0.324 nan 3.960 nan 0.000 0.273 181 G C -1.149 173.780 174.900 0.049 0.000 1.055 181 G CA 0.612 45.732 45.100 0.034 0.000 0.851 181 G HN -0.320 7.771 8.290 0.014 0.207 0.500 182 I N -0.883 119.713 120.570 0.044 0.000 2.362 182 I HA 0.439 nan 4.170 nan 0.000 0.289 182 I C -0.014 176.138 176.117 0.057 0.000 0.994 182 I CA -2.742 58.596 61.300 0.064 0.000 1.158 182 I CB 0.642 38.680 38.000 0.064 0.000 1.315 182 I HN -0.312 7.814 8.210 0.025 0.099 0.451 183 V N 7.913 127.892 119.914 0.108 0.000 2.479 183 V HA 0.105 nan 4.120 nan 0.000 0.281 183 V C -1.685 174.473 176.094 0.107 0.000 1.031 183 V CA -2.293 60.060 62.300 0.089 0.000 1.038 183 V CB -0.475 31.403 31.823 0.091 0.000 0.981 183 V HN 0.301 8.579 8.190 0.145 0.000 0.478 184 P HA 0.695 nan 4.420 nan 0.000 0.296 184 P C -1.681 175.692 177.300 0.120 0.000 1.301 184 P CA -1.558 61.550 63.100 0.013 0.000 0.862 184 P CB 1.511 32.999 31.700 -0.354 0.000 1.046 185 I N 2.002 122.751 120.570 0.297 0.000 2.371 185 I HA 0.292 nan 4.170 nan 0.000 0.282 185 I C -0.887 175.368 176.117 0.230 0.000 1.031 185 I CA -1.049 60.359 61.300 0.180 0.000 1.180 185 I CB 0.720 38.802 38.000 0.137 0.000 1.336 185 I HN 0.354 8.868 8.210 0.507 0.000 0.467 186 V N 8.561 128.559 119.914 0.138 0.000 2.572 186 V HA 0.097 nan 4.120 nan 0.000 0.291 186 V C -1.456 174.645 176.094 0.012 0.000 1.039 186 V CA 0.546 62.902 62.300 0.093 0.000 1.055 186 V CB -0.029 31.768 31.823 -0.043 0.000 0.969 186 V HN 0.189 8.418 8.190 0.065 0.000 0.482 187 A N 7.020 129.854 122.820 0.023 0.000 3.030 187 A HA 0.676 nan 4.320 nan 0.000 0.335 187 A C -3.211 174.362 177.584 -0.019 0.000 1.089 187 A CA -2.926 49.105 52.037 -0.011 0.000 0.807 187 A CB 0.902 19.902 19.000 0.000 0.000 1.099 187 A HN 0.261 8.450 8.150 0.065 0.000 0.474 188 P HA 0.130 nan 4.420 nan 0.000 0.256 188 P C -1.758 175.521 177.300 -0.035 0.000 1.689 188 P CA -0.490 62.583 63.100 -0.046 0.000 1.124 188 P CB -0.956 30.696 31.700 -0.080 0.000 1.766 189 E N 4.141 124.327 120.200 -0.024 0.000 2.052 189 E HA 0.148 nan 4.350 nan 0.000 0.283 189 E C -0.855 175.733 176.600 -0.019 0.000 1.071 189 E CA -1.188 55.204 56.400 -0.013 0.000 0.851 189 E CB 0.851 30.545 29.700 -0.009 0.000 1.066 189 E HN -0.125 8.221 8.360 -0.025 0.000 0.396 190 I N 7.150 127.710 120.570 -0.017 0.000 2.325 190 I HA 0.086 nan 4.170 nan 0.000 0.291 190 I C -0.422 175.680 176.117 -0.026 0.000 1.019 190 I CA -0.105 61.177 61.300 -0.029 0.000 1.302 190 I CB 0.210 38.187 38.000 -0.039 0.000 1.401 190 I HN 0.202 8.717 8.210 -0.007 -0.310 0.485 191 L N 7.863 129.066 121.223 -0.033 0.000 2.455 191 L HA 0.114 nan 4.340 nan 0.000 0.272 191 L C -0.268 176.583 176.870 -0.031 0.000 1.174 191 L CA -1.482 53.333 54.840 -0.042 0.000 0.869 191 L CB -0.049 41.985 42.059 -0.041 0.000 1.130 191 L HN 0.587 8.796 8.230 -0.035 0.000 0.474 192 P HA -0.005 nan 4.420 nan 0.000 0.252 192 P C -1.423 175.799 177.300 -0.130 0.000 1.265 192 P CA 0.042 63.068 63.100 -0.123 0.000 0.775 192 P CB -0.047 31.394 31.700 -0.433 0.000 1.128 193 D N -0.116 120.255 120.400 -0.049 0.000 2.341 193 D HA -0.043 nan 4.640 nan 0.000 0.245 193 D C -0.548 175.793 176.300 0.068 0.000 1.106 193 D CA 1.804 55.784 54.000 -0.032 0.000 0.905 193 D CB 0.337 41.122 40.800 -0.025 0.000 1.202 193 D HN -0.450 7.792 8.370 -0.028 0.111 0.426 194 G N -1.245 107.532 108.800 -0.039 0.000 2.674 194 G HA2 -0.222 nan 3.960 nan 0.000 0.686 194 G HA3 -0.222 nan 3.960 nan 0.000 0.686 194 G C -1.245 173.528 174.900 -0.212 0.000 1.195 194 G CA -0.751 44.343 45.100 -0.010 0.000 0.776 194 G HN -0.413 7.826 8.290 -0.085 0.000 0.654 195 D N 0.698 121.017 120.400 -0.136 0.000 2.934 195 D HA -0.143 nan 4.640 nan 0.000 0.237 195 D C -1.025 175.203 176.300 -0.119 0.000 1.158 195 D CA -0.253 53.636 54.000 -0.185 0.000 0.971 195 D CB -1.826 38.895 40.800 -0.131 0.000 1.123 195 D HN 0.128 8.460 8.370 -0.063 0.000 0.467 196 H N -1.833 117.207 119.070 -0.050 0.000 2.499 196 H HA 0.296 nan 4.556 nan 0.000 0.340 196 H C -1.063 174.253 175.328 -0.020 0.000 1.148 196 H CA -1.421 54.609 56.048 -0.031 0.000 1.215 196 H CB 1.917 31.662 29.762 -0.029 0.000 1.529 196 H HN -0.294 7.449 8.280 -0.767 0.077 0.510 197 D N 0.299 120.766 120.400 0.112 0.000 2.478 197 D HA -0.071 nan 4.640 nan 0.000 0.274 197 D C 0.033 176.349 176.300 0.027 0.000 1.234 197 D CA -0.845 53.198 54.000 0.073 0.000 1.069 197 D CB 1.432 42.310 40.800 0.131 0.000 1.113 197 D HN 0.018 8.469 8.370 0.135 0.000 0.571 198 L N -1.160 119.962 121.223 -0.169 0.000 1.976 198 L HA -0.252 nan 4.340 nan 0.000 0.209 198 L C 1.806 178.627 176.870 -0.082 0.000 1.071 198 L CA 3.087 57.762 54.840 -0.275 0.000 0.746 198 L CB 0.120 41.763 42.059 -0.694 0.000 0.890 198 L HN -0.161 7.949 8.230 -0.200 0.000 0.432 199 K N -3.010 117.373 120.400 -0.028 0.000 2.103 199 K HA -0.384 nan 4.320 nan 0.000 0.207 199 K C 2.554 179.192 176.600 0.063 0.000 1.048 199 K CA 2.554 58.859 56.287 0.030 0.000 0.930 199 K CB -0.978 31.550 32.500 0.048 0.000 0.716 199 K HN -0.551 7.827 8.250 -0.027 -0.144 0.444 200 R N -0.657 119.878 120.500 0.058 0.000 2.081 200 R HA -0.219 nan 4.340 nan 0.000 0.235 200 R C 1.784 178.123 176.300 0.064 0.000 1.131 200 R CA 3.035 59.174 56.100 0.064 0.000 0.960 200 R CB -0.803 29.534 30.300 0.062 0.000 0.856 200 R HN -0.520 7.966 8.270 0.053 -0.184 0.436 201 C N -1.391 117.936 119.300 0.045 0.000 2.425 201 C HA -0.180 nan 4.460 nan 0.000 0.277 201 C C 1.718 176.721 174.990 0.022 0.000 1.280 201 C CA 2.406 61.428 59.018 0.006 0.000 1.744 201 C CB -1.807 25.962 27.740 0.047 0.000 1.989 201 C HN -0.449 7.736 8.230 0.070 0.086 0.491 202 Q N 0.370 120.198 119.800 0.046 0.000 2.046 202 Q HA -0.389 nan 4.340 nan 0.000 0.200 202 Q C 1.659 177.700 176.000 0.067 0.000 0.975 202 Q CA 3.411 59.245 55.803 0.051 0.000 0.836 202 Q CB -0.184 28.588 28.738 0.057 0.000 0.896 202 Q HN -0.414 7.775 8.270 0.045 0.108 0.428 203 Y N 0.155 120.450 120.300 -0.008 0.000 2.053 203 Y HA -0.523 nan 4.550 nan 0.000 0.277 203 Y C 1.915 177.807 175.900 -0.014 0.000 1.159 203 Y CA 4.009 62.106 58.100 -0.005 0.000 1.125 203 Y CB 0.205 38.662 38.460 -0.005 0.000 0.969 203 Y HN -0.208 8.205 8.280 0.221 0.000 0.492 204 V N -8.049 111.898 119.914 0.054 0.000 2.913 204 V HA -0.297 nan 4.120 nan 0.000 0.260 204 V C 1.792 177.833 176.094 -0.090 0.000 1.098 204 V CA 2.924 65.198 62.300 -0.042 0.000 1.121 204 V CB -1.706 30.122 31.823 0.008 0.000 0.714 204 V HN -0.345 7.965 8.190 0.201 0.000 0.487 205 T N 3.168 117.681 114.554 -0.069 0.000 2.937 205 T HA -0.112 nan 4.350 nan 0.000 0.260 205 T C 1.510 176.164 174.700 -0.077 0.000 1.051 205 T CA 4.454 66.521 62.100 -0.055 0.000 1.141 205 T CB -0.311 68.546 68.868 -0.017 0.000 0.879 205 T HN -0.415 7.637 8.240 -0.042 0.163 0.459 206 E N 1.907 122.039 120.200 -0.112 0.000 2.051 206 E HA -0.410 nan 4.350 nan 0.000 0.192 206 E C 2.369 178.882 176.600 -0.145 0.000 0.991 206 E CA 3.551 59.877 56.400 -0.122 0.000 0.799 206 E CB -0.175 29.434 29.700 -0.152 0.000 0.748 206 E HN -0.088 8.108 8.360 -0.120 0.092 0.449 207 K N -2.022 118.238 120.400 -0.232 0.000 2.057 207 K HA -0.166 nan 4.320 nan 0.000 0.206 207 K C 2.379 178.914 176.600 -0.109 0.000 1.050 207 K CA 2.506 58.681 56.287 -0.186 0.000 0.935 207 K CB -0.377 31.977 32.500 -0.244 0.000 0.715 207 K HN -0.550 7.506 8.250 -0.323 0.000 0.439 208 V N 0.187 120.040 119.914 -0.102 0.000 2.490 208 V HA -0.288 nan 4.120 nan 0.000 0.250 208 V C 2.151 178.195 176.094 -0.083 0.000 1.061 208 V CA 4.123 66.374 62.300 -0.081 0.000 1.064 208 V CB -0.714 31.065 31.823 -0.073 0.000 0.670 208 V HN -0.672 7.447 8.190 -0.119 0.000 0.461 209 L N -2.625 118.556 121.223 -0.069 0.000 2.270 209 L HA -0.201 nan 4.340 nan 0.000 0.210 209 L C 1.839 178.719 176.870 0.018 0.000 1.104 209 L CA 2.556 57.368 54.840 -0.045 0.000 0.804 209 L CB -0.887 41.167 42.059 -0.009 0.000 0.937 209 L HN -0.173 7.908 8.230 -0.070 0.107 0.450 210 A N -0.535 122.287 122.820 0.003 0.000 1.897 210 A HA -0.247 nan 4.320 nan 0.000 0.215 210 A C 1.635 179.234 177.584 0.024 0.000 1.181 210 A CA 2.852 54.910 52.037 0.035 0.000 0.620 210 A CB -0.845 18.154 19.000 -0.002 0.000 0.821 210 A HN -0.178 7.852 8.150 -0.033 0.100 0.443 211 A N -1.764 121.042 122.820 -0.022 0.000 1.877 211 A HA -0.276 nan 4.320 nan 0.000 0.216 211 A C 1.721 179.269 177.584 -0.059 0.000 1.186 211 A CA 3.148 55.165 52.037 -0.033 0.000 0.620 211 A CB -0.749 18.224 19.000 -0.045 0.000 0.822 211 A HN -0.332 7.795 8.150 -0.039 0.000 0.443 212 V N -0.890 118.947 119.914 -0.128 0.000 2.282 212 V HA -0.473 nan 4.120 nan 0.000 0.249 212 V C 1.294 177.239 176.094 -0.249 0.000 1.057 212 V CA 3.928 66.085 62.300 -0.239 0.000 1.032 212 V CB -0.581 31.009 31.823 -0.389 0.000 0.645 212 V HN -0.582 7.533 8.190 -0.125 0.000 0.447 213 Y N -2.379 117.894 120.300 -0.045 0.000 2.373 213 Y HA -0.420 nan 4.550 nan 0.000 0.293 213 Y C 2.030 177.921 175.900 -0.015 0.000 1.129 213 Y CA 3.019 61.098 58.100 -0.035 0.000 1.226 213 Y CB -0.220 38.218 38.460 -0.037 0.000 1.000 213 Y HN -0.808 7.414 8.280 -0.096 0.000 0.549 214 K N 0.226 120.696 120.400 0.117 0.000 2.057 214 K HA -0.355 nan 4.320 nan 0.000 0.206 214 K C 1.731 178.369 176.600 0.063 0.000 1.050 214 K CA 2.113 58.448 56.287 0.079 0.000 0.935 214 K CB -0.665 31.865 32.500 0.049 0.000 0.715 214 K HN -0.602 7.701 8.250 0.090 0.000 0.439 215 A N -0.917 121.920 122.820 0.029 0.000 1.902 215 A HA -0.221 nan 4.320 nan 0.000 0.217 215 A C 2.374 179.988 177.584 0.050 0.000 1.181 215 A CA 3.008 55.061 52.037 0.026 0.000 0.623 215 A CB -0.919 18.043 19.000 -0.063 0.000 0.818 215 A HN -0.416 7.737 8.150 0.004 0.000 0.443 216 L N -3.363 117.868 121.223 0.014 0.000 2.083 216 L HA -0.449 nan 4.340 nan 0.000 0.209 216 L C 2.161 179.093 176.870 0.103 0.000 1.083 216 L CA 2.867 57.732 54.840 0.042 0.000 0.752 216 L CB -0.678 41.422 42.059 0.068 0.000 0.899 216 L HN -0.352 7.875 8.230 -0.005 0.000 0.433 217 S N -0.774 114.993 115.700 0.112 0.000 2.356 217 S HA -0.338 nan 4.470 nan 0.000 0.223 217 S C 2.508 177.160 174.600 0.087 0.000 1.032 217 S CA 3.682 61.952 58.200 0.117 0.000 1.005 217 S CB -0.254 63.007 63.200 0.102 0.000 0.867 217 S HN -0.411 7.868 8.310 0.112 0.098 0.449 218 D N 1.477 121.905 120.400 0.046 0.000 2.182 218 D HA -0.234 nan 4.640 nan 0.000 0.201 218 D C 1.753 177.838 176.300 -0.358 0.000 0.986 218 D CA 2.934 56.894 54.000 -0.068 0.000 0.847 218 D CB -0.108 40.689 40.800 -0.005 0.000 0.942 218 D HN -0.307 8.107 8.370 0.074 0.000 0.467 219 H N -3.908 114.991 119.070 -0.285 0.000 2.539 219 H HA -0.007 nan 4.556 nan 0.000 0.267 219 H C -0.789 174.350 175.328 -0.315 0.000 0.982 219 H CA 0.628 56.468 56.048 -0.348 0.000 1.146 219 H CB 0.867 30.527 29.762 -0.170 0.000 1.382 219 H HN -0.548 7.695 8.280 0.140 0.121 0.577 220 H N -4.266 114.862 119.070 0.097 0.000 2.826 220 H HA -0.268 nan 4.556 nan 0.000 0.306 220 H C -0.611 174.774 175.328 0.094 0.000 1.235 220 H CA 0.582 56.676 56.048 0.077 0.000 1.150 220 H CB -2.880 26.908 29.762 0.044 0.000 1.409 220 H HN -0.173 7.867 8.280 -0.073 0.196 0.420 221 I N -1.442 119.236 120.570 0.181 0.000 2.519 221 I HA -0.081 nan 4.170 nan 0.000 0.287 221 I C -0.255 175.984 176.117 0.203 0.000 1.047 221 I CA -1.935 59.453 61.300 0.147 0.000 1.381 221 I CB -0.014 38.035 38.000 0.082 0.000 1.417 221 I HN -0.366 7.941 8.210 0.160 0.000 0.540 222 Y N 7.714 128.038 120.300 0.041 0.000 2.595 222 Y HA 0.111 nan 4.550 nan 0.000 0.347 222 Y C -0.141 175.775 175.900 0.026 0.000 1.025 222 Y CA -1.526 56.595 58.100 0.034 0.000 1.295 222 Y CB -0.613 37.862 38.460 0.025 0.000 1.147 222 Y HN -0.150 8.595 8.280 0.248 -0.316 0.515 223 L N 7.437 128.580 121.223 -0.133 0.000 2.127 223 L HA -0.492 nan 4.340 nan 0.000 0.211 223 L C 1.822 178.494 176.870 -0.330 0.000 1.089 223 L CA 3.134 57.875 54.840 -0.166 0.000 0.757 223 L CB -0.818 41.168 42.059 -0.121 0.000 0.899 223 L HN 0.217 8.426 8.230 -0.035 0.000 0.434 224 E N -0.717 119.074 120.200 -0.682 0.000 2.333 224 E HA -0.186 nan 4.350 nan 0.000 0.198 224 E C 0.758 177.107 176.600 -0.418 0.000 1.007 224 E CA 2.390 58.418 56.400 -0.621 0.000 0.845 224 E CB -0.613 28.576 29.700 -0.852 0.000 0.766 224 E HN 0.418 8.176 8.360 -0.968 0.021 0.507 225 G N -2.736 105.852 108.800 -0.353 0.000 4.804 225 G HA2 0.258 nan 3.960 nan 0.000 0.310 225 G HA3 0.258 nan 3.960 nan 0.000 0.310 225 G C -1.323 173.543 174.900 -0.056 0.000 1.389 225 G CA -0.687 44.374 45.100 -0.064 0.000 1.106 225 G HN -0.414 7.430 8.290 -0.470 0.164 0.595 226 T N -2.940 111.549 114.554 -0.108 0.000 2.816 226 T HA 0.398 nan 4.350 nan 0.000 0.299 226 T C -2.033 172.598 174.700 -0.114 0.000 1.230 226 T CA -1.826 60.227 62.100 -0.079 0.000 1.007 226 T CB 3.028 71.871 68.868 -0.041 0.000 1.289 226 T HN -0.831 7.262 8.240 -0.157 0.052 0.508 227 L N -1.261 119.902 121.223 -0.099 0.000 2.431 227 L HA 0.787 nan 4.340 nan 0.000 0.266 227 L C -2.305 174.492 176.870 -0.120 0.000 0.978 227 L CA -0.789 53.964 54.840 -0.144 0.000 0.822 227 L CB 4.339 46.279 42.059 -0.197 0.000 1.310 227 L HN 0.078 8.272 8.230 -0.060 0.000 0.409 228 L N 2.661 123.783 121.223 -0.167 0.000 2.275 228 L HA 0.510 nan 4.340 nan 0.000 0.288 228 L C -2.253 174.473 176.870 -0.241 0.000 1.046 228 L CA -0.776 53.956 54.840 -0.180 0.000 0.805 228 L CB 1.901 43.841 42.059 -0.197 0.000 1.193 228 L HN 0.183 8.291 8.230 -0.205 0.000 0.426 229 K N 8.088 128.379 120.400 -0.182 0.000 2.562 229 K HA 0.432 nan 4.320 nan 0.000 0.206 229 K C -2.417 174.105 176.600 -0.130 0.000 1.033 229 K CA -3.286 52.895 56.287 -0.176 0.000 1.029 229 K CB 0.850 33.293 32.500 -0.094 0.000 1.393 229 K HN 0.452 8.621 8.250 -0.134 0.000 0.539 230 P HA 0.306 nan 4.420 nan 0.000 0.317 230 P C -2.057 175.316 177.300 0.123 0.000 1.301 230 P CA -1.509 61.564 63.100 -0.044 0.000 0.799 230 P CB 2.059 33.715 31.700 -0.073 0.000 1.344 231 N N -3.202 115.597 118.700 0.164 0.000 2.483 231 N HA 0.160 nan 4.740 nan 0.000 0.285 231 N C -0.921 174.743 175.510 0.256 0.000 1.210 231 N CA -1.299 51.881 53.050 0.216 0.000 0.931 231 N CB 1.541 40.093 38.487 0.108 0.000 1.220 231 N HN 0.034 8.475 8.380 0.101 0.000 0.542 232 M N -1.850 117.841 119.600 0.153 0.000 2.235 232 M HA 0.012 nan 4.480 nan 0.000 0.351 232 M C 0.108 176.429 176.300 0.035 0.000 1.178 232 M CA 0.032 55.347 55.300 0.024 0.000 1.143 232 M CB 1.244 33.783 32.600 -0.103 0.000 1.530 232 M HN 0.170 8.544 8.290 0.139 0.000 0.461 233 V N 4.307 124.234 119.914 0.021 0.000 2.397 233 V HA 0.036 nan 4.120 nan 0.000 0.262 233 V C -0.728 175.350 176.094 -0.027 0.000 1.047 233 V CA 0.689 62.995 62.300 0.010 0.000 1.003 233 V CB -1.881 29.951 31.823 0.015 0.000 1.037 233 V HN -0.068 8.132 8.190 0.016 0.000 0.480 234 T N 4.784 119.328 114.554 -0.017 0.000 2.841 234 T HA 0.460 nan 4.350 nan 0.000 0.296 234 T C -3.078 171.598 174.700 -0.040 0.000 1.166 234 T CA -3.324 58.744 62.100 -0.053 0.000 1.007 234 T CB 1.202 70.072 68.868 0.005 0.000 1.253 234 T HN -0.435 7.814 8.240 0.016 0.000 0.511 235 P HA 0.120 nan 4.420 nan 0.000 0.274 235 P C -0.469 176.773 177.300 -0.096 0.000 1.256 235 P CA -0.642 62.397 63.100 -0.102 0.000 0.795 235 P CB 0.828 32.468 31.700 -0.100 0.000 1.038 236 G N -2.411 106.151 108.800 -0.398 0.000 2.569 236 G HA2 -0.033 nan 3.960 nan 0.000 0.249 236 G HA3 -0.033 nan 3.960 nan 0.000 0.249 236 G C 1.092 175.886 174.900 -0.177 0.000 1.216 236 G CA -0.687 44.087 45.100 -0.544 0.000 0.845 236 G HN 0.237 8.249 8.290 -0.464 0.000 0.568 237 H N 3.240 122.138 119.070 -0.286 0.000 3.109 237 H HA -0.168 nan 4.556 nan 0.000 0.298 237 H C -1.017 173.968 175.328 -0.572 0.000 1.248 237 H CA -1.155 54.730 56.048 -0.271 0.000 1.204 237 H CB -2.166 27.519 29.762 -0.128 0.000 1.367 237 H HN 0.299 8.519 8.280 -0.101 0.000 0.592 238 A N -2.137 120.321 122.820 -0.603 0.000 3.009 238 A HA -0.037 nan 4.320 nan 0.000 0.198 238 A C -1.551 175.702 177.584 -0.552 0.000 1.289 238 A CA 0.042 51.492 52.037 -0.977 0.000 1.343 238 A CB 0.240 18.889 19.000 -0.585 0.000 1.180 238 A HN -0.191 7.586 8.150 -0.423 0.120 0.689 239 C N -1.296 117.775 119.300 -0.381 0.000 2.366 239 C HA 0.220 nan 4.460 nan 0.000 0.345 239 C C 0.936 175.908 174.990 -0.031 0.000 1.209 239 C CA -0.066 58.867 59.018 -0.141 0.000 2.050 239 C CB 1.736 29.462 27.740 -0.024 0.000 2.359 239 C HN -0.077 7.907 8.230 -0.409 0.000 0.527 240 T N 4.849 119.404 114.554 0.002 0.000 3.054 240 T HA 0.007 nan 4.350 nan 0.000 0.259 240 T C -1.208 173.509 174.700 0.030 0.000 1.092 240 T CA 1.274 63.395 62.100 0.035 0.000 1.121 240 T CB 0.115 68.979 68.868 -0.007 0.000 0.912 240 T HN 0.283 8.515 8.240 -0.013 0.000 0.489 241 Q N 1.220 121.020 119.800 0.000 0.000 2.256 241 Q HA 0.069 nan 4.340 nan 0.000 0.257 241 Q C -1.271 174.577 176.000 -0.253 0.000 0.936 241 Q CA -0.452 55.241 55.803 -0.183 0.000 0.903 241 Q CB 1.370 29.910 28.738 -0.331 0.000 1.263 241 Q HN -0.462 7.807 8.270 0.058 0.036 0.440 242 K N 3.808 124.024 120.400 -0.307 0.000 2.130 242 K HA 0.174 nan 4.320 nan 0.000 0.268 242 K C -1.139 175.236 176.600 -0.375 0.000 0.983 242 K CA -0.357 55.829 56.287 -0.167 0.000 0.893 242 K CB 1.071 33.522 32.500 -0.082 0.000 1.066 242 K HN 0.257 8.337 8.250 -0.283 0.000 0.450 243 Y N -0.334 119.939 120.300 -0.045 0.000 2.576 243 Y HA 0.346 nan 4.550 nan 0.000 0.346 243 Y C -0.862 174.985 175.900 -0.088 0.000 1.018 243 Y CA -2.039 56.032 58.100 -0.047 0.000 1.050 243 Y CB 3.227 41.664 38.460 -0.038 0.000 1.280 243 Y HN -0.038 8.372 8.280 0.216 0.000 0.474 244 S N 0.914 116.671 115.700 0.096 0.000 2.632 244 S HA 0.196 nan 4.470 nan 0.000 0.271 244 S C 1.138 175.736 174.600 -0.003 0.000 1.260 244 S CA -1.219 56.998 58.200 0.028 0.000 1.010 244 S CB 2.495 65.736 63.200 0.067 0.000 0.965 244 S HN 0.141 8.817 8.310 0.138 -0.284 0.534 245 H N 3.972 123.079 119.070 0.061 0.000 2.457 245 H HA -0.308 nan 4.556 nan 0.000 0.297 245 H C 1.937 177.289 175.328 0.040 0.000 1.092 245 H CA 4.295 60.369 56.048 0.044 0.000 1.309 245 H CB -0.096 29.686 29.762 0.034 0.000 1.382 245 H HN 0.724 9.057 8.280 0.089 0.000 0.535 246 E N -1.422 118.866 120.200 0.147 0.000 2.150 246 E HA -0.251 nan 4.350 nan 0.000 0.193 246 E C 2.387 179.034 176.600 0.079 0.000 0.985 246 E CA 3.295 59.756 56.400 0.101 0.000 0.814 246 E CB -1.144 28.607 29.700 0.085 0.000 0.752 246 E HN 0.720 9.139 8.360 0.150 0.031 0.466 247 E N -0.347 119.900 120.200 0.079 0.000 2.028 247 E HA -0.293 nan 4.350 nan 0.000 0.191 247 E C 2.466 179.085 176.600 0.032 0.000 0.988 247 E CA 2.968 59.410 56.400 0.072 0.000 0.799 247 E CB -0.094 29.681 29.700 0.125 0.000 0.755 247 E HN -0.415 7.875 8.360 0.086 0.122 0.447 248 I N -3.298 117.277 120.570 0.008 0.000 2.264 248 I HA -0.460 nan 4.170 nan 0.000 0.248 248 I C 1.449 177.569 176.117 0.004 0.000 1.111 248 I CA 3.442 64.728 61.300 -0.022 0.000 1.382 248 I CB -1.161 36.818 38.000 -0.035 0.000 1.060 248 I HN -0.536 7.684 8.210 0.016 0.000 0.418 249 A N 0.179 123.019 122.820 0.033 0.000 1.841 249 A HA -0.337 nan 4.320 nan 0.000 0.214 249 A C 1.756 179.373 177.584 0.055 0.000 1.195 249 A CA 3.032 55.094 52.037 0.041 0.000 0.611 249 A CB -0.845 18.192 19.000 0.062 0.000 0.835 249 A HN -0.210 7.958 8.150 0.051 0.013 0.443 250 M N -0.614 119.020 119.600 0.058 0.000 2.149 250 M HA -0.408 nan 4.480 nan 0.000 0.261 250 M C 1.901 178.237 176.300 0.061 0.000 1.064 250 M CA 2.374 57.712 55.300 0.062 0.000 1.102 250 M CB -0.315 32.320 32.600 0.058 0.000 1.369 250 M HN 0.026 8.351 8.290 0.058 0.000 0.408 251 A N -2.536 120.311 122.820 0.045 0.000 1.929 251 A HA -0.230 nan 4.320 nan 0.000 0.216 251 A C 2.048 179.664 177.584 0.054 0.000 1.176 251 A CA 3.367 55.427 52.037 0.038 0.000 0.628 251 A CB -0.935 18.067 19.000 0.003 0.000 0.816 251 A HN 0.388 8.546 8.150 0.035 0.013 0.444 252 T N 2.571 117.158 114.554 0.055 0.000 2.770 252 T HA -0.228 nan 4.350 nan 0.000 0.263 252 T C 1.966 176.751 174.700 0.142 0.000 1.039 252 T CA 4.725 66.876 62.100 0.085 0.000 1.142 252 T CB -0.253 68.642 68.868 0.044 0.000 0.868 252 T HN -0.390 7.788 8.240 0.039 0.085 0.435 253 V N 1.055 121.058 119.914 0.149 0.000 2.307 253 V HA -0.409 nan 4.120 nan 0.000 0.245 253 V C 1.649 177.859 176.094 0.193 0.000 1.045 253 V CA 5.104 67.528 62.300 0.207 0.000 1.024 253 V CB -1.081 30.845 31.823 0.172 0.000 0.651 253 V HN 0.497 8.756 8.190 0.115 0.000 0.449 254 T N 1.020 115.653 114.554 0.132 0.000 2.684 254 T HA -0.383 nan 4.350 nan 0.000 0.267 254 T C 1.408 176.179 174.700 0.118 0.000 1.036 254 T CA 4.986 67.154 62.100 0.113 0.000 1.148 254 T CB -0.667 68.250 68.868 0.083 0.000 0.863 254 T HN -0.333 7.974 8.240 0.111 0.000 0.436 255 A N 1.204 124.086 122.820 0.104 0.000 1.865 255 A HA -0.259 nan 4.320 nan 0.000 0.217 255 A C 2.056 179.696 177.584 0.093 0.000 1.191 255 A CA 3.069 55.155 52.037 0.081 0.000 0.623 255 A CB -0.977 18.060 19.000 0.062 0.000 0.826 255 A HN -0.622 7.588 8.150 0.100 0.000 0.444 256 L N -2.440 118.852 121.223 0.116 0.000 2.083 256 L HA -0.472 nan 4.340 nan 0.000 0.209 256 L C 2.459 179.486 176.870 0.263 0.000 1.083 256 L CA 2.995 57.876 54.840 0.069 0.000 0.752 256 L CB -0.587 41.434 42.059 -0.063 0.000 0.899 256 L HN -0.459 7.852 8.230 0.135 0.000 0.433 257 R N -1.165 119.564 120.500 0.381 0.000 2.127 257 R HA -0.323 nan 4.340 nan 0.000 0.238 257 R C 2.218 178.637 176.300 0.199 0.000 1.134 257 R CA 3.171 59.476 56.100 0.341 0.000 0.975 257 R CB -0.297 30.118 30.300 0.192 0.000 0.865 257 R HN 0.116 8.569 8.270 0.321 0.009 0.447 258 R N -4.232 116.352 120.500 0.139 0.000 2.299 258 R HA 0.008 nan 4.340 nan 0.000 0.197 258 R C 0.602 176.944 176.300 0.070 0.000 0.971 258 R CA 1.588 57.740 56.100 0.086 0.000 1.030 258 R CB 0.247 30.585 30.300 0.063 0.000 0.932 258 R HN -0.255 7.968 8.270 0.141 0.131 0.477 259 T N -6.192 108.410 114.554 0.081 0.000 3.098 259 T HA 0.214 nan 4.350 nan 0.000 0.256 259 T C -0.123 174.602 174.700 0.042 0.000 0.921 259 T CA 0.304 62.442 62.100 0.063 0.000 0.916 259 T CB 2.221 71.124 68.868 0.059 0.000 1.246 259 T HN -0.461 7.662 8.240 0.110 0.183 0.511 260 V N 4.333 124.245 119.914 -0.004 0.000 2.383 260 V HA 0.522 nan 4.120 nan 0.000 0.275 260 V C -1.722 174.326 176.094 -0.076 0.000 1.036 260 V CA -3.197 58.978 62.300 -0.209 0.000 0.889 260 V CB -0.265 31.313 31.823 -0.407 0.000 0.985 260 V HN -0.186 8.034 8.190 0.050 0.000 0.459 261 P HA 0.240 nan 4.420 nan 0.000 0.268 261 P C -1.195 176.179 177.300 0.124 0.000 1.205 261 P CA -1.022 62.019 63.100 -0.098 0.000 0.771 261 P CB -0.522 31.028 31.700 -0.250 0.000 0.858 262 P HA -0.169 nan 4.420 nan 0.000 0.223 262 P C -0.364 176.992 177.300 0.094 0.000 1.144 262 P CA 1.612 64.783 63.100 0.118 0.000 0.783 262 P CB -0.294 31.386 31.700 -0.035 0.000 0.771 263 A N -5.105 117.727 122.820 0.019 0.000 2.067 263 A HA -0.060 nan 4.320 nan 0.000 0.219 263 A C 0.069 177.619 177.584 -0.056 0.000 1.158 263 A CA 1.049 53.064 52.037 -0.035 0.000 0.661 263 A CB 0.167 19.120 19.000 -0.079 0.000 0.801 263 A HN -0.221 7.869 8.150 -0.007 0.056 0.452 264 V N -0.300 119.591 119.914 -0.037 0.000 2.450 264 V HA -0.196 nan 4.120 nan 0.000 0.281 264 V C 0.761 176.844 176.094 -0.019 0.000 1.019 264 V CA 1.153 63.402 62.300 -0.084 0.000 1.062 264 V CB -0.853 30.861 31.823 -0.182 0.000 0.979 264 V HN -0.646 7.500 8.190 -0.008 0.039 0.477 265 T N 7.097 121.570 114.554 -0.136 0.000 2.684 265 T HA -0.137 nan 4.350 nan 0.000 0.267 265 T C -0.283 174.344 174.700 -0.122 0.000 1.036 265 T CA 3.591 65.563 62.100 -0.213 0.000 1.148 265 T CB 0.557 69.129 68.868 -0.493 0.000 0.863 265 T HN 0.390 8.521 8.240 -0.182 0.000 0.436 266 G N -4.124 104.585 108.800 -0.150 0.000 2.660 266 G HA2 0.502 nan 3.960 nan 0.000 0.290 266 G HA3 0.502 nan 3.960 nan 0.000 0.290 266 G C -3.360 171.404 174.900 -0.225 0.000 1.432 266 G CA 0.193 45.213 45.100 -0.133 0.000 0.807 266 G HN -0.773 7.407 8.290 -0.184 0.000 0.485 267 V N -0.563 119.195 119.914 -0.260 0.000 2.525 267 V HA 0.692 nan 4.120 nan 0.000 0.299 267 V C -1.282 174.528 176.094 -0.473 0.000 1.034 267 V CA -1.237 60.806 62.300 -0.428 0.000 0.863 267 V CB 3.048 34.515 31.823 -0.592 0.000 0.999 267 V HN 0.407 8.489 8.190 -0.180 0.000 0.423 268 T N 4.280 118.568 114.554 -0.443 0.000 2.795 268 T HA 0.656 nan 4.350 nan 0.000 0.282 268 T C -0.664 173.800 174.700 -0.392 0.000 0.980 268 T CA -2.472 59.414 62.100 -0.356 0.000 1.012 268 T CB 0.881 69.588 68.868 -0.269 0.000 0.936 268 T HN 0.450 8.254 8.240 -0.392 0.201 0.457 269 F N 3.664 123.524 119.950 -0.150 0.000 2.425 269 F HA 0.395 nan 4.527 nan 0.000 0.331 269 F C -1.082 174.669 175.800 -0.082 0.000 1.085 269 F CA -0.911 57.034 58.000 -0.091 0.000 1.028 269 F CB 2.996 41.987 39.000 -0.016 0.000 1.177 269 F HN 0.336 8.611 8.300 -0.042 0.000 0.487 270 L N 0.728 122.149 121.223 0.329 0.000 2.375 270 L HA 0.193 nan 4.340 nan 0.000 0.271 270 L C -0.588 176.557 176.870 0.458 0.000 1.107 270 L CA -1.108 53.913 54.840 0.303 0.000 0.806 270 L CB 2.049 44.224 42.059 0.194 0.000 1.146 270 L HN -0.186 8.287 8.230 0.404 0.000 0.447 271 S N 3.553 119.523 115.700 0.450 0.000 2.362 271 S HA -0.137 nan 4.470 nan 0.000 0.221 271 S C 0.836 175.520 174.600 0.140 0.000 1.032 271 S CA 1.487 59.834 58.200 0.244 0.000 0.973 271 S CB 0.171 63.421 63.200 0.084 0.000 0.849 271 S HN 0.407 8.959 8.310 0.403 0.000 0.465 272 G N 1.362 110.239 108.800 0.128 0.000 2.350 272 G HA2 -0.240 nan 3.960 nan 0.000 0.298 272 G HA3 -0.240 nan 3.960 nan 0.000 0.298 272 G C 0.080 175.049 174.900 0.116 0.000 1.037 272 G CA 0.026 45.178 45.100 0.087 0.000 1.074 272 G HN -0.002 8.372 8.290 0.141 0.000 0.511 273 G N -3.308 105.560 108.800 0.113 0.000 2.168 273 G HA2 -0.459 nan 3.960 nan 0.000 0.257 273 G HA3 -0.459 nan 3.960 nan 0.000 0.257 273 G C -0.029 174.955 174.900 0.140 0.000 0.997 273 G CA 0.255 45.451 45.100 0.159 0.000 0.708 273 G HN 0.262 8.603 8.290 0.085 0.000 0.520 274 Q N -0.028 119.817 119.800 0.075 0.000 2.306 274 Q HA 0.096 nan 4.340 nan 0.000 0.241 274 Q C -0.109 175.871 176.000 -0.033 0.000 0.948 274 Q CA -0.426 55.386 55.803 0.016 0.000 0.886 274 Q CB 1.133 29.858 28.738 -0.022 0.000 1.227 274 Q HN -0.743 7.521 8.270 0.062 0.044 0.457 275 S N 1.644 117.323 115.700 -0.034 0.000 2.593 275 S HA 0.024 nan 4.470 nan 0.000 0.269 275 S C 0.854 175.398 174.600 -0.095 0.000 1.334 275 S CA 0.306 58.481 58.200 -0.043 0.000 1.015 275 S CB 1.353 64.540 63.200 -0.022 0.000 0.912 275 S HN -0.163 8.336 8.310 -0.020 -0.201 0.541 276 E N 3.946 124.089 120.200 -0.094 0.000 2.070 276 E HA -0.445 nan 4.350 nan 0.000 0.197 276 E C 2.023 178.526 176.600 -0.162 0.000 1.004 276 E CA 4.216 60.530 56.400 -0.144 0.000 0.805 276 E CB -0.041 29.606 29.700 -0.088 0.000 0.744 276 E HN 0.621 8.945 8.360 -0.059 0.000 0.451 277 E N -0.941 119.203 120.200 -0.093 0.000 2.285 277 E HA -0.139 nan 4.350 nan 0.000 0.194 277 E C 2.055 178.618 176.600 -0.060 0.000 0.997 277 E CA 2.216 58.576 56.400 -0.066 0.000 0.845 277 E CB -0.604 29.092 29.700 -0.007 0.000 0.782 277 E HN 0.120 8.442 8.360 -0.063 0.000 0.491 278 E N -0.516 119.653 120.200 -0.053 0.000 2.046 278 E HA -0.249 nan 4.350 nan 0.000 0.190 278 E C 1.651 178.226 176.600 -0.041 0.000 0.982 278 E CA 3.097 59.494 56.400 -0.005 0.000 0.800 278 E CB -0.339 29.375 29.700 0.025 0.000 0.756 278 E HN 0.163 8.339 8.360 -0.061 0.148 0.449 279 A N -0.887 121.847 122.820 -0.142 0.000 1.908 279 A HA -0.277 nan 4.320 nan 0.000 0.218 279 A C 2.314 179.798 177.584 -0.168 0.000 1.181 279 A CA 3.445 55.343 52.037 -0.231 0.000 0.627 279 A CB -0.836 17.789 19.000 -0.626 0.000 0.818 279 A HN 0.212 8.262 8.150 -0.168 0.000 0.445 280 S N -0.496 115.079 115.700 -0.208 0.000 2.359 280 S HA -0.307 nan 4.470 nan 0.000 0.224 280 S C 2.231 176.774 174.600 -0.095 0.000 1.035 280 S CA 3.760 61.826 58.200 -0.223 0.000 1.018 280 S CB -0.405 62.591 63.200 -0.341 0.000 0.876 280 S HN -0.658 7.444 8.310 -0.235 0.067 0.448 281 I N 1.675 122.213 120.570 -0.053 0.000 2.163 281 I HA -0.453 nan 4.170 nan 0.000 0.243 281 I C 1.917 177.998 176.117 -0.060 0.000 1.085 281 I CA 2.387 63.640 61.300 -0.078 0.000 1.347 281 I CB -1.324 36.495 38.000 -0.301 0.000 1.044 281 I HN 0.137 8.133 8.210 -0.067 0.174 0.408 282 N N 0.280 118.981 118.700 0.000 0.000 2.043 282 N HA -0.318 nan 4.740 nan 0.000 0.193 282 N C 2.445 177.962 175.510 0.011 0.000 1.037 282 N CA 3.096 56.182 53.050 0.059 0.000 0.851 282 N CB -0.434 38.090 38.487 0.063 0.000 1.027 282 N HN -0.182 8.196 8.380 -0.003 0.000 0.422 283 L N 0.146 121.377 121.223 0.014 0.000 2.081 283 L HA -0.356 nan 4.340 nan 0.000 0.212 283 L C 1.410 178.316 176.870 0.060 0.000 1.080 283 L CA 3.210 58.074 54.840 0.041 0.000 0.754 283 L CB -0.272 41.858 42.059 0.119 0.000 0.893 283 L HN 0.008 8.250 8.230 0.020 0.000 0.433 284 N N -1.505 117.229 118.700 0.058 0.000 2.188 284 N HA -0.324 nan 4.740 nan 0.000 0.184 284 N C 1.942 177.493 175.510 0.069 0.000 1.018 284 N CA 3.243 56.345 53.050 0.086 0.000 0.858 284 N CB 0.416 38.986 38.487 0.139 0.000 0.989 284 N HN -0.436 7.959 8.380 0.039 0.009 0.426 285 A N 0.218 123.070 122.820 0.052 0.000 1.877 285 A HA -0.223 nan 4.320 nan 0.000 0.216 285 A C 2.810 180.431 177.584 0.063 0.000 1.186 285 A CA 2.801 54.873 52.037 0.058 0.000 0.620 285 A CB -0.552 18.494 19.000 0.078 0.000 0.822 285 A HN -0.271 7.815 8.150 0.041 0.089 0.443 286 I N -2.113 118.490 120.570 0.054 0.000 2.335 286 I HA -0.527 nan 4.170 nan 0.000 0.251 286 I C 2.347 178.525 176.117 0.101 0.000 1.129 286 I CA 3.960 65.301 61.300 0.068 0.000 1.402 286 I CB -0.537 37.481 38.000 0.031 0.000 1.069 286 I HN 0.045 8.277 8.210 0.038 0.000 0.424 287 N N -0.706 118.053 118.700 0.099 0.000 2.459 287 N HA -0.138 nan 4.740 nan 0.000 0.181 287 N C 0.430 175.987 175.510 0.078 0.000 1.046 287 N CA 2.411 55.523 53.050 0.102 0.000 0.904 287 N CB 0.217 38.767 38.487 0.105 0.000 0.964 287 N HN -0.460 7.958 8.380 0.090 0.016 0.444 288 K N -3.597 116.844 120.400 0.068 0.000 2.358 288 K HA 0.125 nan 4.320 nan 0.000 0.200 288 K C -0.951 175.679 176.600 0.050 0.000 1.030 288 K CA -0.751 55.568 56.287 0.053 0.000 1.097 288 K CB 0.491 33.019 32.500 0.047 0.000 0.862 288 K HN -0.551 7.574 8.250 0.070 0.167 0.534 289 C N 4.798 124.134 119.300 0.059 0.000 2.663 289 C HA 0.233 nan 4.460 nan 0.000 0.398 289 C C -0.579 174.438 174.990 0.046 0.000 1.356 289 C CA -2.158 56.894 59.018 0.057 0.000 1.629 289 C CB -0.358 27.425 27.740 0.072 0.000 2.402 289 C HN -0.385 7.829 8.230 0.069 0.057 0.598 290 P HA -0.269 nan 4.420 nan 0.000 0.229 290 P C -1.189 176.122 177.300 0.019 0.000 1.147 290 P CA 0.714 63.829 63.100 0.025 0.000 0.766 290 P CB -0.463 31.252 31.700 0.024 0.000 0.775 291 L N -1.215 120.023 121.223 0.026 0.000 2.418 291 L HA -0.043 nan 4.340 nan 0.000 0.265 291 L C -0.448 176.417 176.870 -0.009 0.000 1.143 291 L CA -0.868 53.981 54.840 0.015 0.000 0.809 291 L CB 1.049 43.129 42.059 0.036 0.000 1.124 291 L HN -0.556 7.582 8.230 0.038 0.115 0.456 292 L N 2.493 123.692 121.223 -0.041 0.000 2.312 292 L HA 0.038 nan 4.340 nan 0.000 0.287 292 L C -0.839 175.925 176.870 -0.176 0.000 1.091 292 L CA -0.288 54.499 54.840 -0.088 0.000 0.846 292 L CB -0.370 41.633 42.059 -0.093 0.000 1.219 292 L HN 0.125 8.334 8.230 -0.035 0.000 0.439 293 K N 7.617 127.906 120.400 -0.184 0.000 2.253 293 K HA 0.361 nan 4.320 nan 0.000 0.277 293 K C -1.157 175.128 176.600 -0.525 0.000 1.053 293 K CA -2.993 53.063 56.287 -0.385 0.000 0.892 293 K CB -0.318 32.154 32.500 -0.047 0.000 1.102 293 K HN -0.201 7.988 8.250 -0.101 0.000 0.469 294 P HA -0.021 nan 4.420 nan 0.000 0.245 294 P C -1.317 175.640 177.300 -0.571 0.000 1.212 294 P CA 0.412 63.057 63.100 -0.759 0.000 0.774 294 P CB 0.412 31.639 31.700 -0.789 0.000 0.999 295 W N -3.532 117.758 121.300 -0.016 0.000 2.850 295 W HA 0.147 nan 4.660 nan 0.000 0.349 295 W C -1.343 175.165 176.519 -0.020 0.000 1.133 295 W CA -2.533 54.791 57.345 -0.034 0.000 1.117 295 W CB 1.347 30.769 29.460 -0.064 0.000 1.442 295 W HN -0.869 7.001 8.180 -0.406 0.066 0.575 296 A N 0.860 123.816 122.820 0.227 0.000 2.395 296 A HA 0.155 nan 4.320 nan 0.000 0.286 296 A C -1.037 176.613 177.584 0.111 0.000 1.193 296 A CA -0.218 51.894 52.037 0.124 0.000 0.852 296 A CB 0.103 19.130 19.000 0.044 0.000 1.118 296 A HN 0.327 8.599 8.150 0.203 0.000 0.524 297 L N 5.760 127.086 121.223 0.171 0.000 2.328 297 L HA 0.374 nan 4.340 nan 0.000 0.280 297 L C -0.715 176.282 176.870 0.211 0.000 1.111 297 L CA -1.146 53.829 54.840 0.225 0.000 0.909 297 L CB -2.301 39.967 42.059 0.349 0.000 1.277 297 L HN 0.392 8.731 8.230 0.181 0.000 0.433 298 T N 2.737 117.360 114.554 0.114 0.000 2.724 298 T HA 0.487 nan 4.350 nan 0.000 0.274 298 T C -1.921 172.840 174.700 0.102 0.000 0.984 298 T CA -2.132 60.035 62.100 0.112 0.000 1.024 298 T CB 3.462 72.284 68.868 -0.077 0.000 1.320 298 T HN 0.266 8.506 8.240 0.000 0.000 0.555 299 F N -3.942 115.912 119.950 -0.160 0.000 2.497 299 F HA 0.897 nan 4.527 nan 0.000 0.331 299 F C -1.096 174.489 175.800 -0.359 0.000 1.060 299 F CA -3.211 54.527 58.000 -0.437 0.000 0.989 299 F CB 2.157 40.753 39.000 -0.674 0.000 1.245 299 F HN 0.092 8.288 8.300 -0.174 0.000 0.486 300 S N -0.898 114.625 115.700 -0.296 0.000 2.801 300 S HA 0.148 nan 4.470 nan 0.000 0.236 300 S C -1.608 173.016 174.600 0.039 0.000 0.852 300 S CA -0.156 57.970 58.200 -0.124 0.000 1.089 300 S CB 0.286 63.420 63.200 -0.110 0.000 1.376 300 S HN -0.121 7.840 8.310 -0.581 0.000 0.470 301 Y N -0.366 120.117 120.300 0.304 0.000 2.397 301 Y HA -0.165 nan 4.550 nan 0.000 0.335 301 Y C -0.596 175.407 175.900 0.171 0.000 1.213 301 Y CA -0.454 57.776 58.100 0.216 0.000 1.391 301 Y CB 1.062 39.634 38.460 0.186 0.000 1.293 301 Y HN -0.724 7.677 8.280 0.202 0.000 0.557 302 G N 0.831 109.811 108.800 0.300 0.000 2.478 302 G HA2 0.166 nan 3.960 nan 0.000 0.211 302 G HA3 0.166 nan 3.960 nan 0.000 0.211 302 G C 0.880 175.868 174.900 0.146 0.000 1.726 302 G CA 0.654 45.861 45.100 0.178 0.000 0.725 302 G HN 0.033 8.511 8.290 0.312 0.000 0.654 303 R N 3.208 123.775 120.500 0.112 0.000 2.103 303 R HA -0.323 nan 4.340 nan 0.000 0.242 303 R C 1.252 177.587 176.300 0.060 0.000 1.142 303 R CA 2.933 59.081 56.100 0.079 0.000 0.960 303 R CB -0.113 30.222 30.300 0.059 0.000 0.858 303 R HN 0.477 8.814 8.270 0.112 0.000 0.439 304 A N -3.477 119.362 122.820 0.033 0.000 2.125 304 A HA -0.169 nan 4.320 nan 0.000 0.219 304 A C 0.918 178.490 177.584 -0.020 0.000 1.156 304 A CA 2.120 54.112 52.037 -0.075 0.000 0.671 304 A CB -0.324 18.474 19.000 -0.336 0.000 0.794 304 A HN -0.077 8.098 8.150 0.066 0.014 0.459 305 L N -6.656 114.633 121.223 0.111 0.000 2.766 305 L HA 0.150 nan 4.340 nan 0.000 0.242 305 L C 0.372 177.387 176.870 0.242 0.000 1.136 305 L CA -0.248 54.710 54.840 0.196 0.000 0.933 305 L CB 0.576 42.845 42.059 0.350 0.000 1.241 305 L HN -0.455 7.706 8.230 0.152 0.160 0.522 306 Q N -3.317 116.572 119.800 0.147 0.000 2.211 306 Q HA 0.108 nan 4.340 nan 0.000 0.242 306 Q C 1.060 177.128 176.000 0.112 0.000 0.825 306 Q CA 0.305 56.181 55.803 0.122 0.000 0.951 306 Q CB 1.917 30.715 28.738 0.100 0.000 1.130 306 Q HN -0.422 7.733 8.270 0.120 0.188 0.496 307 A N 1.208 124.078 122.820 0.084 0.000 1.859 307 A HA -0.401 nan 4.320 nan 0.000 0.218 307 A C 1.697 179.325 177.584 0.073 0.000 1.209 307 A CA 3.675 55.750 52.037 0.065 0.000 0.639 307 A CB -0.633 18.390 19.000 0.039 0.000 0.835 307 A HN 0.443 8.732 8.150 0.075 -0.095 0.450 308 S N -0.477 115.267 115.700 0.073 0.000 2.382 308 S HA -0.379 nan 4.470 nan 0.000 0.228 308 S C 1.819 176.484 174.600 0.108 0.000 1.027 308 S CA 3.806 62.052 58.200 0.078 0.000 0.991 308 S CB -0.482 62.758 63.200 0.068 0.000 0.823 308 S HN -0.578 7.971 8.310 0.066 -0.199 0.469 309 A N 2.046 124.942 122.820 0.128 0.000 1.873 309 A HA -0.302 nan 4.320 nan 0.000 0.218 309 A C 1.993 179.693 177.584 0.193 0.000 1.193 309 A CA 2.741 54.871 52.037 0.154 0.000 0.629 309 A CB -0.862 18.222 19.000 0.140 0.000 0.826 309 A HN -0.103 8.105 8.150 0.125 0.017 0.447 310 L N -2.031 119.288 121.223 0.160 0.000 1.971 310 L HA -0.511 nan 4.340 nan 0.000 0.215 310 L C 2.228 179.232 176.870 0.224 0.000 1.072 310 L CA 3.973 58.912 54.840 0.165 0.000 0.758 310 L CB -0.509 41.579 42.059 0.049 0.000 0.889 310 L HN -0.557 7.754 8.230 0.136 0.000 0.433 311 K N -2.235 118.245 120.400 0.134 0.000 2.020 311 K HA -0.456 nan 4.320 nan 0.000 0.212 311 K C 1.606 178.270 176.600 0.106 0.000 1.050 311 K CA 3.056 59.399 56.287 0.094 0.000 0.929 311 K CB -0.116 32.422 32.500 0.063 0.000 0.714 311 K HN -0.840 7.475 8.250 0.109 0.000 0.443 312 A N -3.241 119.660 122.820 0.135 0.000 1.940 312 A HA -0.129 nan 4.320 nan 0.000 0.219 312 A C 1.536 179.231 177.584 0.185 0.000 1.176 312 A CA 2.031 54.149 52.037 0.135 0.000 0.631 312 A CB -0.252 18.831 19.000 0.139 0.000 0.814 312 A HN -0.036 8.091 8.150 0.140 0.107 0.446 313 W N -0.117 121.210 121.300 0.045 0.000 2.329 313 W HA -0.351 nan 4.660 nan 0.000 0.324 313 W C 1.430 177.974 176.519 0.043 0.000 1.222 313 W CA 1.912 59.293 57.345 0.061 0.000 1.270 313 W CB 0.972 30.475 29.460 0.072 0.000 1.167 313 W HN -0.221 8.084 8.180 0.376 0.101 0.467 314 G N -3.848 104.835 108.800 -0.196 0.000 2.153 314 G HA2 -0.502 nan 3.960 nan 0.000 0.252 314 G HA3 -0.502 nan 3.960 nan 0.000 0.252 314 G C -0.171 174.253 174.900 -0.793 0.000 0.994 314 G CA 0.673 45.543 45.100 -0.383 0.000 0.698 314 G HN -0.161 8.181 8.290 0.087 0.000 0.521 315 G N -2.974 104.716 108.800 -1.849 0.000 2.212 315 G HA2 -0.530 nan 3.960 nan 0.000 0.266 315 G HA3 -0.530 nan 3.960 nan 0.000 0.266 315 G C -0.057 174.200 174.900 -1.071 0.000 0.978 315 G CA 0.144 44.115 45.100 -1.882 0.000 0.632 315 G HN 0.418 7.125 8.290 -2.566 0.044 0.537 316 K N 2.025 121.931 120.400 -0.823 0.000 2.276 316 K HA 0.056 nan 4.320 nan 0.000 0.285 316 K C 0.632 177.154 176.600 -0.130 0.000 1.062 316 K CA -1.096 54.981 56.287 -0.350 0.000 0.918 316 K CB 0.194 32.564 32.500 -0.217 0.000 1.055 316 K HN -0.786 6.825 8.250 -0.892 0.104 0.477 317 K N 5.903 126.310 120.400 0.011 0.000 2.442 317 K HA -0.291 nan 4.320 nan 0.000 0.198 317 K C 1.409 178.148 176.600 0.232 0.000 1.042 317 K CA 2.849 59.272 56.287 0.225 0.000 0.958 317 K CB -0.120 32.365 32.500 -0.026 0.000 0.766 317 K HN 0.783 8.981 8.250 -0.086 0.000 0.474 318 E N -2.731 117.536 120.200 0.111 0.000 2.427 318 E HA -0.123 nan 4.350 nan 0.000 0.196 318 E C 0.826 177.498 176.600 0.119 0.000 1.028 318 E CA 1.534 57.992 56.400 0.097 0.000 0.864 318 E CB -0.709 29.014 29.700 0.038 0.000 0.813 318 E HN 0.239 8.554 8.360 0.039 0.068 0.514 319 N N -1.019 117.775 118.700 0.158 0.000 2.268 319 N HA 0.195 nan 4.740 nan 0.000 0.204 319 N C 0.374 176.040 175.510 0.259 0.000 1.124 319 N CA -0.548 52.606 53.050 0.174 0.000 0.838 319 N CB 0.964 39.533 38.487 0.138 0.000 0.994 319 N HN -0.482 7.845 8.380 0.167 0.153 0.489 320 L N 1.250 122.652 121.223 0.298 0.000 1.965 320 L HA -0.399 nan 4.340 nan 0.000 0.226 320 L C 0.643 177.607 176.870 0.157 0.000 1.083 320 L CA 4.787 59.783 54.840 0.261 0.000 0.790 320 L CB -0.495 41.712 42.059 0.246 0.000 0.898 320 L HN -0.833 7.486 8.230 0.294 0.087 0.439 321 K N -2.529 117.945 120.400 0.124 0.000 2.281 321 K HA -0.369 nan 4.320 nan 0.000 0.203 321 K C 2.103 178.757 176.600 0.090 0.000 1.046 321 K CA 2.509 58.850 56.287 0.090 0.000 0.938 321 K CB -1.283 31.262 32.500 0.075 0.000 0.737 321 K HN 0.198 8.525 8.250 0.129 0.000 0.458 322 A N -1.035 121.850 122.820 0.109 0.000 1.855 322 A HA -0.063 nan 4.320 nan 0.000 0.213 322 A C 1.755 179.409 177.584 0.117 0.000 1.195 322 A CA 2.575 54.673 52.037 0.102 0.000 0.610 322 A CB -0.667 18.395 19.000 0.103 0.000 0.837 322 A HN -0.437 7.638 8.150 0.129 0.153 0.444 323 A N -1.691 121.221 122.820 0.154 0.000 1.917 323 A HA -0.431 nan 4.320 nan 0.000 0.219 323 A C 2.381 180.036 177.584 0.118 0.000 1.182 323 A CA 3.031 55.164 52.037 0.160 0.000 0.633 323 A CB -0.947 18.182 19.000 0.214 0.000 0.819 323 A HN -0.116 8.144 8.150 0.183 0.000 0.448 324 Q N -2.536 117.319 119.800 0.092 0.000 2.050 324 Q HA -0.408 nan 4.340 nan 0.000 0.202 324 Q C 2.307 178.383 176.000 0.127 0.000 0.980 324 Q CA 3.355 59.216 55.803 0.097 0.000 0.840 324 Q CB -0.150 28.624 28.738 0.061 0.000 0.898 324 Q HN -0.253 8.071 8.270 0.090 0.000 0.424 325 E N -0.634 119.620 120.200 0.090 0.000 2.160 325 E HA -0.334 nan 4.350 nan 0.000 0.195 325 E C 2.493 179.133 176.600 0.067 0.000 0.991 325 E CA 2.975 59.415 56.400 0.067 0.000 0.810 325 E CB -0.928 28.806 29.700 0.056 0.000 0.742 325 E HN -0.174 8.237 8.360 0.085 0.000 0.466 326 E N -1.456 118.801 120.200 0.096 0.000 2.072 326 E HA -0.280 nan 4.350 nan 0.000 0.191 326 E C 2.346 179.015 176.600 0.116 0.000 0.985 326 E CA 2.884 59.341 56.400 0.094 0.000 0.801 326 E CB -0.256 29.510 29.700 0.110 0.000 0.750 326 E HN -0.431 7.869 8.360 0.107 0.124 0.452 327 Y N 1.473 121.781 120.300 0.013 0.000 2.133 327 Y HA -0.377 nan 4.550 nan 0.000 0.287 327 Y C 1.803 177.704 175.900 0.002 0.000 1.134 327 Y CA 3.340 61.442 58.100 0.004 0.000 1.133 327 Y CB 0.238 38.692 38.460 -0.011 0.000 0.987 327 Y HN -0.623 7.714 8.280 0.247 0.092 0.502 328 V N -1.011 118.819 119.914 -0.140 0.000 2.324 328 V HA -0.625 nan 4.120 nan 0.000 0.250 328 V C 1.709 177.699 176.094 -0.172 0.000 1.060 328 V CA 4.457 66.623 62.300 -0.223 0.000 1.042 328 V CB -1.333 30.453 31.823 -0.063 0.000 0.650 328 V HN 0.297 8.536 8.190 0.081 0.000 0.450 329 K N -0.959 119.390 120.400 -0.084 0.000 2.020 329 K HA -0.437 nan 4.320 nan 0.000 0.212 329 K C 2.016 178.555 176.600 -0.103 0.000 1.050 329 K CA 3.599 59.851 56.287 -0.057 0.000 0.929 329 K CB -0.242 32.250 32.500 -0.013 0.000 0.714 329 K HN -0.092 8.027 8.250 -0.038 0.108 0.443 330 R N -1.964 118.462 120.500 -0.124 0.000 2.096 330 R HA -0.252 nan 4.340 nan 0.000 0.235 330 R C 2.391 178.537 176.300 -0.256 0.000 1.127 330 R CA 1.874 57.873 56.100 -0.167 0.000 0.968 330 R CB -0.811 29.432 30.300 -0.095 0.000 0.861 330 R HN -0.644 7.572 8.270 -0.089 0.000 0.440 331 A N 0.197 122.829 122.820 -0.313 0.000 1.865 331 A HA -0.245 nan 4.320 nan 0.000 0.217 331 A C 2.358 179.833 177.584 -0.181 0.000 1.191 331 A CA 3.062 54.934 52.037 -0.275 0.000 0.623 331 A CB -0.899 17.867 19.000 -0.389 0.000 0.826 331 A HN 0.077 7.997 8.150 -0.383 0.000 0.444 332 L N -2.027 119.107 121.223 -0.149 0.000 1.990 332 L HA -0.540 nan 4.340 nan 0.000 0.213 332 L C 2.195 178.998 176.870 -0.113 0.000 1.072 332 L CA 2.972 57.763 54.840 -0.081 0.000 0.755 332 L CB -0.599 41.435 42.059 -0.043 0.000 0.889 332 L HN -0.359 7.770 8.230 -0.169 0.000 0.432 333 A N -1.742 120.963 122.820 -0.192 0.000 1.884 333 A HA -0.497 nan 4.320 nan 0.000 0.219 333 A C 2.250 179.474 177.584 -0.600 0.000 1.197 333 A CA 3.312 55.082 52.037 -0.445 0.000 0.637 333 A CB -0.941 17.738 19.000 -0.535 0.000 0.827 333 A HN -0.162 7.889 8.150 -0.164 0.000 0.450 334 N N -3.520 114.870 118.700 -0.516 0.000 2.459 334 N HA -0.205 nan 4.740 nan 0.000 0.181 334 N C 2.155 177.512 175.510 -0.256 0.000 1.046 334 N CA 2.745 55.456 53.050 -0.564 0.000 0.904 334 N CB -0.350 37.479 38.487 -1.097 0.000 0.964 334 N HN -0.122 7.977 8.380 -0.468 0.000 0.444 335 S N 1.448 117.094 115.700 -0.090 0.000 2.371 335 S HA -0.175 nan 4.470 nan 0.000 0.224 335 S C 1.071 175.718 174.600 0.079 0.000 1.029 335 S CA 2.819 61.086 58.200 0.112 0.000 0.978 335 S CB -0.004 63.245 63.200 0.082 0.000 0.833 335 S HN -0.412 7.642 8.310 -0.155 0.164 0.466 336 L N -1.191 120.053 121.223 0.036 0.000 2.141 336 L HA -0.217 nan 4.340 nan 0.000 0.209 336 L C 1.336 178.273 176.870 0.111 0.000 1.094 336 L CA 2.788 57.692 54.840 0.107 0.000 0.763 336 L CB 0.110 42.307 42.059 0.230 0.000 0.908 336 L HN -0.183 7.957 8.230 -0.020 0.078 0.437 337 A N -0.332 122.495 122.820 0.011 0.000 1.898 337 A HA -0.206 nan 4.320 nan 0.000 0.216 337 A C 1.869 179.510 177.584 0.094 0.000 1.181 337 A CA 3.017 55.069 52.037 0.026 0.000 0.620 337 A CB -0.926 17.996 19.000 -0.131 0.000 0.819 337 A HN 0.074 8.043 8.150 -0.114 0.113 0.442 338 C N -5.046 114.337 119.300 0.137 0.000 2.485 338 C HA -0.118 nan 4.460 nan 0.000 0.283 338 C C 0.070 175.145 174.990 0.143 0.000 1.478 338 C CA -0.256 58.876 59.018 0.191 0.000 1.741 338 C CB -2.262 25.645 27.740 0.277 0.000 1.675 338 C HN -0.275 8.033 8.230 0.130 0.000 0.573 339 Q N -2.371 117.500 119.800 0.118 0.000 2.074 339 Q HA 0.060 nan 4.340 nan 0.000 0.265 339 Q C 0.880 176.933 176.000 0.088 0.000 0.855 339 Q CA -1.644 54.217 55.803 0.096 0.000 1.083 339 Q CB 0.129 28.917 28.738 0.083 0.000 1.260 339 Q HN -0.768 7.473 8.270 0.115 0.098 0.427 340 G N 1.238 110.095 108.800 0.096 0.000 2.379 340 G HA2 -0.517 nan 3.960 nan 0.000 0.297 340 G HA3 -0.517 nan 3.960 nan 0.000 0.297 340 G C -1.037 173.910 174.900 0.079 0.000 1.004 340 G CA 1.307 46.459 45.100 0.087 0.000 0.921 340 G HN 0.013 8.366 8.290 0.106 0.000 0.511 341 K N -2.498 117.962 120.400 0.100 0.000 2.564 341 K HA 0.100 nan 4.320 nan 0.000 0.205 341 K C -1.558 175.110 176.600 0.114 0.000 1.053 341 K CA -1.412 54.924 56.287 0.082 0.000 1.072 341 K CB 1.314 33.858 32.500 0.073 0.000 0.822 341 K HN -0.207 8.095 8.250 0.122 0.021 0.497 342 Y N -0.162 120.136 120.300 -0.004 0.000 2.356 342 Y HA 0.064 nan 4.550 nan 0.000 0.334 342 Y C -1.951 173.933 175.900 -0.026 0.000 0.958 342 Y CA -0.774 57.316 58.100 -0.017 0.000 1.196 342 Y CB 1.097 39.542 38.460 -0.025 0.000 1.137 342 Y HN -0.556 7.774 8.280 0.186 0.062 0.485 343 T N 8.904 123.149 114.554 -0.516 0.000 2.928 343 T HA 0.345 nan 4.350 nan 0.000 0.296 343 T C -2.676 171.716 174.700 -0.513 0.000 1.000 343 T CA -2.583 59.275 62.100 -0.403 0.000 0.989 343 T CB 0.605 69.359 68.868 -0.189 0.000 1.005 343 T HN -0.022 7.918 8.240 -0.501 0.000 0.442 344 P HA 0.089 nan 4.420 nan 0.000 0.272 344 P C -0.384 176.804 177.300 -0.187 0.000 1.223 344 P CA -0.861 62.058 63.100 -0.302 0.000 0.784 344 P CB 0.778 32.374 31.700 -0.173 0.000 0.923 345 S N 1.161 116.778 115.700 -0.139 0.000 2.546 345 S HA -0.203 nan 4.470 nan 0.000 0.290 345 S C 1.000 175.557 174.600 -0.072 0.000 1.290 345 S CA 1.574 59.719 58.200 -0.092 0.000 1.069 345 S CB 0.094 63.255 63.200 -0.065 0.000 0.846 345 S HN 0.235 8.463 8.310 -0.137 0.000 0.495 346 G N 6.107 114.870 108.800 -0.061 0.000 2.376 346 G HA2 -0.235 nan 3.960 nan 0.000 0.208 346 G HA3 -0.235 nan 3.960 nan 0.000 0.208 346 G C -0.837 174.034 174.900 -0.048 0.000 1.032 346 G CA -0.211 44.862 45.100 -0.046 0.000 0.641 346 G HN 0.256 8.509 8.290 -0.062 0.000 0.503 347 Q N -2.001 117.759 119.800 -0.067 0.000 2.481 347 Q HA -0.429 nan 4.340 nan 0.000 0.283 347 Q C -1.502 174.469 176.000 -0.047 0.000 1.292 347 Q CA 0.254 56.017 55.803 -0.067 0.000 0.819 347 Q CB -1.960 26.746 28.738 -0.055 0.000 1.202 347 Q HN 0.164 8.182 8.270 -0.084 0.201 0.446 348 A N -1.652 121.140 122.820 -0.046 0.000 2.520 348 A HA 0.436 nan 4.320 nan 0.000 0.298 348 A C -1.424 176.141 177.584 -0.031 0.000 1.051 348 A CA -0.230 51.791 52.037 -0.027 0.000 0.690 348 A CB 1.914 20.905 19.000 -0.015 0.000 1.281 348 A HN -0.102 8.014 8.150 -0.056 0.000 0.402 349 G N -0.559 108.229 108.800 -0.021 0.000 2.816 349 G HA2 0.137 nan 3.960 nan 0.000 0.288 349 G HA3 0.137 nan 3.960 nan 0.000 0.288 349 G C -1.262 173.655 174.900 0.029 0.000 1.334 349 G CA -0.582 44.504 45.100 -0.025 0.000 0.978 349 G HN 0.045 8.333 8.290 -0.004 0.000 0.493 350 A N -1.000 121.846 122.820 0.043 0.000 2.363 350 A HA 0.436 nan 4.320 nan 0.000 0.270 350 A C -0.275 177.446 177.584 0.227 0.000 1.121 350 A CA -0.543 51.550 52.037 0.093 0.000 0.800 350 A CB 1.006 20.047 19.000 0.068 0.000 1.052 350 A HN 0.135 8.292 8.150 0.011 0.000 0.493 351 A N 2.428 125.351 122.820 0.171 0.000 1.974 351 A HA -0.056 nan 4.320 nan 0.000 0.219 351 A C -0.146 177.477 177.584 0.064 0.000 1.479 351 A CA 0.773 52.895 52.037 0.140 0.000 0.615 351 A CB 0.016 19.047 19.000 0.052 0.000 1.130 351 A HN 0.576 8.789 8.150 0.105 0.000 0.497 352 A N -1.731 121.109 122.820 0.034 0.000 2.327 352 A HA 0.054 nan 4.320 nan 0.000 0.255 352 A C -0.415 177.188 177.584 0.032 0.000 1.099 352 A CA 0.087 52.139 52.037 0.024 0.000 0.801 352 A CB 0.451 19.463 19.000 0.021 0.000 1.062 352 A HN -0.334 7.836 8.150 0.033 0.000 0.496 353 S N 0.284 115.997 115.700 0.022 0.000 3.627 353 S HA -0.028 nan 4.470 nan 0.000 0.190 353 S C 1.526 176.129 174.600 0.005 0.000 0.880 353 S CA 0.317 58.525 58.200 0.014 0.000 0.894 353 S CB 0.449 63.650 63.200 0.003 0.000 1.095 353 S HN 0.048 8.372 8.310 0.023 0.000 0.655 354 E N 2.560 122.766 120.200 0.010 0.000 2.006 354 E HA -0.164 nan 4.350 nan 0.000 0.192 354 E C -0.065 176.506 176.600 -0.048 0.000 0.993 354 E CA 1.419 57.813 56.400 -0.010 0.000 0.808 354 E CB 0.194 29.921 29.700 0.044 0.000 0.764 354 E HN 0.020 8.389 8.360 0.016 0.000 0.449 355 S N -3.075 112.619 115.700 -0.009 0.000 3.261 355 S HA -0.315 nan 4.470 nan 0.000 0.287 355 S C -0.489 174.011 174.600 -0.165 0.000 1.281 355 S CA -0.050 58.131 58.200 -0.032 0.000 1.053 355 S CB -0.157 63.031 63.200 -0.021 0.000 1.251 355 S HN 0.266 8.624 8.310 0.079 0.000 0.659 356 L N -1.864 119.078 121.223 -0.468 0.000 2.682 356 L HA -0.125 nan 4.340 nan 0.000 0.240 356 L C -0.621 175.708 176.870 -0.901 0.000 1.178 356 L CA 1.133 55.609 54.840 -0.608 0.000 0.970 356 L CB -0.473 41.123 42.059 -0.771 0.000 1.179 356 L HN -0.194 7.663 8.230 -0.513 0.066 0.435 357 F N -2.485 117.481 119.950 0.028 0.000 2.767 357 F HA 0.100 nan 4.527 nan 0.000 0.329 357 F C 0.272 176.060 175.800 -0.021 0.000 0.912 357 F CA 0.404 58.403 58.000 -0.002 0.000 1.115 357 F CB 0.874 39.866 39.000 -0.012 0.000 0.936 357 F HN -0.542 7.504 8.300 -0.200 0.133 0.624 358 I N 0.115 120.758 120.570 0.123 0.000 2.293 358 I HA 0.215 nan 4.170 nan 0.000 0.280 358 I C -1.089 175.014 176.117 -0.024 0.000 1.075 358 I CA -0.709 60.630 61.300 0.064 0.000 1.702 358 I CB -2.983 35.048 38.000 0.052 0.000 1.477 358 I HN -0.273 7.918 8.210 0.116 0.089 0.733 359 S N 3.241 118.902 115.700 -0.065 0.000 3.407 359 S HA 0.106 nan 4.470 nan 0.000 0.315 359 S C -0.814 173.698 174.600 -0.148 0.000 1.211 359 S CA -0.011 58.079 58.200 -0.183 0.000 1.148 359 S CB 0.662 63.611 63.200 -0.419 0.000 1.511 359 S HN -0.426 7.835 8.310 0.008 0.054 0.604 360 N N -1.072 117.466 118.700 -0.270 0.000 2.387 360 N HA -0.002 nan 4.740 nan 0.000 0.176 360 N C 0.960 176.460 175.510 -0.017 0.000 1.022 360 N CA 1.717 54.700 53.050 -0.110 0.000 0.883 360 N CB -0.262 38.182 38.487 -0.072 0.000 1.019 360 N HN 0.373 8.504 8.380 -0.416 0.000 0.435 361 H N -0.756 118.351 119.070 0.060 0.000 2.682 361 H HA 0.181 nan 4.556 nan 0.000 0.293 361 H C -0.382 174.982 175.328 0.060 0.000 1.080 361 H CA -0.662 55.413 56.048 0.045 0.000 1.189 361 H CB -1.985 27.775 29.762 -0.004 0.000 1.311 361 H HN -0.074 7.683 8.280 -0.872 0.000 0.599 362 A N -2.126 120.774 122.820 0.134 0.000 2.259 362 A HA 0.073 nan 4.320 nan 0.000 0.213 362 A C -1.026 176.542 177.584 -0.026 0.000 1.209 362 A CA 0.107 52.193 52.037 0.081 0.000 0.910 362 A CB 1.032 20.066 19.000 0.056 0.000 0.946 362 A HN -0.436 7.700 8.150 0.163 0.111 0.497 363 Y N 0.000 120.315 120.300 0.026 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.112 58.100 0.020 0.000 1.940 363 Y CB 0.000 38.462 38.460 0.004 0.000 1.050 363 Y HN 0.000 8.494 8.280 0.356 0.000 0.758