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 1g5h_1_A DATA FIRST_RESID 41 DATA SEQUENCE EALVDLCRRR HFLSGTPQQL STAALLSGCH ARFGPLGVEL RKNLASQWWS DATA SEQUENCE SXVVFREQVF AVDSLHQEPG SSQPRDSAFR LVSPESIREI LQDXXXSKEQ DATA SEQUENCE LVAFLENLLK TSGKLRATLL HGALEHYVNC LDLVNRKLPF GLAQIGVCFH DATA SEQUENCE PVSXXXXXXX XXTRVGEKTE ASLVWFTPTR TSSQWLDFWL RHRLLWWRKF DATA SEQUENCE AXSPSNFSSA DCQDELGRKG SKLYYSFPWG KEPIETLWNL GDQELLHTYP DATA SEQUENCE GNVSTIQGRD GRKNVVPCVL SVSGDVDLGT LAYLYDSFQL XXXXXXXXXX DATA SEQUENCE XXRKVLKLHP CLAPIKVALD VGKGPTVELR QVCQGLLNEL LENGISVWPG DATA SEQUENCE YSETVHSSLE QLHSKYDEXS VLFSVLVTET TLENGLIQLR SRDTTXKEXX DATA SEQUENCE HISKLRDFLV KYLASASNVA AALDHHHHH 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 41 E HA 0.000 nan 4.350 nan 0.000 0.291 41 E C 0.000 176.594 176.600 -0.010 0.000 1.382 41 E CA 0.000 56.429 56.400 0.048 0.000 0.976 41 E CB 0.000 29.725 29.700 0.041 0.000 0.812 42 A N 2.573 125.390 122.820 -0.005 0.000 1.940 42 A HA -0.215 4.104 4.320 -0.000 0.000 0.221 42 A C 2.096 179.509 177.584 -0.285 0.000 1.190 42 A CA 1.911 53.911 52.037 -0.063 0.000 0.647 42 A CB -0.855 18.180 19.000 0.059 0.000 0.821 42 A HN 0.359 nan 8.150 nan 0.000 0.457 43 L N -0.168 120.793 121.223 -0.437 0.000 2.005 43 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 43 L C 2.462 179.073 176.870 -0.432 0.000 1.072 43 L CA 2.205 56.591 54.840 -0.757 0.000 0.744 43 L CB -0.908 40.671 42.059 -0.801 0.000 0.895 43 L HN 0.268 nan 8.230 nan 0.000 0.433 44 V N 0.696 120.462 119.914 -0.247 0.000 2.343 44 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 44 V C 2.387 178.421 176.094 -0.100 0.000 1.051 44 V CA 1.960 64.181 62.300 -0.131 0.000 1.036 44 V CB -0.628 31.181 31.823 -0.023 0.000 0.654 44 V HN 0.459 nan 8.190 nan 0.000 0.451 45 D N -0.115 120.228 120.400 -0.096 0.000 2.117 45 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 45 D C 2.087 178.339 176.300 -0.080 0.000 0.987 45 D CA 1.403 55.361 54.000 -0.070 0.000 0.829 45 D CB -0.148 40.623 40.800 -0.050 0.000 0.961 45 D HN 0.433 nan 8.370 nan 0.000 0.460 46 L N 0.544 121.695 121.223 -0.120 0.000 2.046 46 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 46 L C 2.323 179.164 176.870 -0.048 0.000 1.077 46 L CA 1.375 56.158 54.840 -0.095 0.000 0.747 46 L CB -0.216 41.751 42.059 -0.153 0.000 0.896 46 L HN 0.031 nan 8.230 nan 0.000 0.432 47 C N -0.144 119.115 119.300 -0.068 0.000 2.425 47 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 47 C C 2.872 177.918 174.990 0.094 0.000 1.280 47 C CA 1.073 60.130 59.018 0.065 0.000 1.744 47 C CB -1.007 26.727 27.740 -0.010 0.000 1.989 47 C HN 0.590 nan 8.230 nan 0.000 0.491 48 R N 1.345 121.850 120.500 0.009 0.000 2.073 48 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 48 R C 2.295 178.521 176.300 -0.123 0.000 1.120 48 R CA 1.506 57.600 56.100 -0.010 0.000 0.967 48 R CB -0.687 29.606 30.300 -0.012 0.000 0.862 48 R HN 0.504 nan 8.270 nan 0.000 0.436 49 R N -0.371 120.049 120.500 -0.133 0.000 2.096 49 R HA -0.007 4.332 4.340 -0.000 0.000 0.235 49 R C 0.971 177.046 176.300 -0.374 0.000 1.127 49 R CA 1.329 57.305 56.100 -0.206 0.000 0.968 49 R CB 0.081 30.318 30.300 -0.104 0.000 0.861 49 R HN 0.018 nan 8.270 nan 0.000 0.440 50 R N -0.231 120.137 120.500 -0.221 0.000 2.388 50 R HA 0.074 4.414 4.340 -0.000 0.000 0.247 50 R C -0.377 175.796 176.300 -0.211 0.000 0.931 50 R CA 0.015 56.000 56.100 -0.192 0.000 1.082 50 R CB -0.240 30.084 30.300 0.041 0.000 1.135 50 R HN 0.377 nan 8.270 nan 0.000 0.525 51 H N -1.583 117.491 119.070 0.006 0.000 2.903 51 H HA -0.174 4.382 4.556 -0.000 0.000 0.285 51 H C 0.531 175.819 175.328 -0.067 0.000 1.231 51 H CA 0.675 56.706 56.048 -0.028 0.000 1.135 51 H CB -2.108 27.617 29.762 -0.061 0.000 1.328 51 H HN 0.190 nan 8.280 nan 0.000 0.388 52 F N -0.006 120.012 119.950 0.113 0.000 2.387 52 F HA 0.195 4.722 4.527 -0.001 0.000 0.294 52 F C 1.680 177.622 175.800 0.236 0.000 1.093 52 F CA 0.699 58.788 58.000 0.150 0.000 1.420 52 F CB 0.541 39.599 39.000 0.097 0.000 1.086 52 F HN -0.021 nan 8.300 nan 0.000 0.531 53 L N -1.273 120.153 121.223 0.338 0.000 2.322 53 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 53 L C 0.081 177.056 176.870 0.175 0.000 1.012 53 L CA -0.673 54.300 54.840 0.221 0.000 0.815 53 L CB 1.835 43.976 42.059 0.136 0.000 1.295 53 L HN -0.242 nan 8.230 nan 0.000 0.438 54 S N -0.356 115.422 115.700 0.130 0.000 2.715 54 S HA 0.962 5.432 4.470 -0.000 0.000 0.307 54 S C -0.529 174.134 174.600 0.104 0.000 1.119 54 S CA 0.144 58.422 58.200 0.130 0.000 0.937 54 S CB 1.841 65.115 63.200 0.123 0.000 1.150 54 S HN 1.081 nan 8.310 nan 0.000 0.521 55 G N 0.976 109.814 108.800 0.063 0.000 2.484 55 G HA2 0.168 4.128 3.960 -0.000 0.000 0.685 55 G HA3 0.168 4.128 3.960 -0.000 0.000 0.685 55 G C -0.304 174.563 174.900 -0.054 0.000 1.294 55 G CA -0.270 44.813 45.100 -0.028 0.000 0.879 55 G HN 1.340 nan 8.290 nan 0.000 0.646 56 T N -0.680 113.812 114.554 -0.103 0.000 2.788 56 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 56 T C -0.956 173.690 174.700 -0.090 0.000 1.007 56 T CA -0.511 61.541 62.100 -0.080 0.000 1.005 56 T CB 1.579 70.397 68.868 -0.083 0.000 1.012 56 T HN 0.259 nan 8.240 nan 0.000 0.530 57 P HA -0.095 nan 4.420 nan 0.000 0.218 57 P C 1.661 178.914 177.300 -0.078 0.000 1.148 57 P CA 1.139 64.204 63.100 -0.059 0.000 0.822 57 P CB 0.007 31.683 31.700 -0.041 0.000 0.784 58 Q N -0.879 118.868 119.800 -0.089 0.000 2.369 58 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 58 Q C 1.828 177.740 176.000 -0.148 0.000 0.963 58 Q CA 0.939 56.684 55.803 -0.098 0.000 0.894 58 Q CB -0.188 28.500 28.738 -0.083 0.000 0.965 58 Q HN 0.507 nan 8.270 nan 0.000 0.475 59 Q N -0.268 119.400 119.800 -0.220 0.000 2.425 59 Q HA 0.082 4.422 4.340 -0.000 0.000 0.204 59 Q C 1.115 176.965 176.000 -0.250 0.000 0.933 59 Q CA 0.211 55.765 55.803 -0.416 0.000 0.939 59 Q CB 0.496 28.775 28.738 -0.766 0.000 1.044 59 Q HN 0.300 nan 8.270 nan 0.000 0.513 60 L N 0.739 121.883 121.223 -0.132 0.000 2.700 60 L HA 0.157 4.496 4.340 -0.000 0.000 0.234 60 L C 0.678 177.511 176.870 -0.061 0.000 1.156 60 L CA -0.408 54.395 54.840 -0.061 0.000 0.946 60 L CB 0.337 42.371 42.059 -0.042 0.000 1.216 60 L HN 0.042 nan 8.230 nan 0.000 0.493 61 S N -2.033 113.615 115.700 -0.087 0.000 2.603 61 S HA 0.108 4.577 4.470 -0.000 0.000 0.268 61 S C 1.278 175.776 174.600 -0.170 0.000 1.317 61 S CA -0.290 57.845 58.200 -0.109 0.000 1.012 61 S CB 1.293 64.429 63.200 -0.107 0.000 0.926 61 S HN 0.120 nan 8.310 nan 0.000 0.539 62 T N 2.057 116.443 114.554 -0.280 0.000 2.720 62 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 62 T C 2.197 176.621 174.700 -0.460 0.000 1.037 62 T CA 1.643 63.412 62.100 -0.552 0.000 1.144 62 T CB -0.977 67.343 68.868 -0.914 0.000 0.864 62 T HN 0.833 nan 8.240 nan 0.000 0.444 63 A N 1.587 124.216 122.820 -0.320 0.000 1.892 63 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 63 A C 2.650 180.159 177.584 -0.125 0.000 1.188 63 A CA 2.077 53.988 52.037 -0.211 0.000 0.631 63 A CB -1.185 17.731 19.000 -0.140 0.000 0.822 63 A HN 0.531 nan 8.150 nan 0.000 0.447 64 A N -0.727 122.040 122.820 -0.089 0.000 1.969 64 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 64 A C 2.139 179.767 177.584 0.073 0.000 1.169 64 A CA 1.323 53.361 52.037 0.002 0.000 0.635 64 A CB -0.517 18.465 19.000 -0.030 0.000 0.810 64 A HN 0.469 nan 8.150 nan 0.000 0.445 65 L N -0.707 120.511 121.223 -0.008 0.000 2.141 65 L HA -0.113 4.226 4.340 -0.000 0.000 0.209 65 L C 2.274 179.098 176.870 -0.076 0.000 1.094 65 L CA 0.812 55.637 54.840 -0.025 0.000 0.763 65 L CB -0.319 41.708 42.059 -0.054 0.000 0.908 65 L HN 0.376 nan 8.230 nan 0.000 0.437 66 L N -1.125 120.030 121.223 -0.114 0.000 2.270 66 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 66 L C 2.778 179.642 176.870 -0.009 0.000 1.104 66 L CA 0.862 55.652 54.840 -0.082 0.000 0.804 66 L CB -0.412 41.566 42.059 -0.136 0.000 0.937 66 L HN 0.325 nan 8.230 nan 0.000 0.450 67 S N 0.028 115.738 115.700 0.017 0.000 2.383 67 S HA -0.074 4.395 4.470 -0.000 0.000 0.227 67 S C 1.731 176.440 174.600 0.181 0.000 1.026 67 S CA 0.905 59.171 58.200 0.109 0.000 0.981 67 S CB -0.350 62.900 63.200 0.084 0.000 0.818 67 S HN 0.518 nan 8.310 nan 0.000 0.472 68 G N -0.439 108.391 108.800 0.049 0.000 2.136 68 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 68 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 68 G C 0.680 175.539 174.900 -0.069 0.000 0.989 68 G CA 0.146 45.235 45.100 -0.018 0.000 0.682 68 G HN 0.600 nan 8.290 nan 0.000 0.522 69 C N 1.144 120.442 119.300 -0.003 0.000 2.481 69 C HA 0.280 4.740 4.460 -0.000 0.000 0.275 69 C C 1.235 176.261 174.990 0.062 0.000 1.419 69 C CA 0.979 60.010 59.018 0.021 0.000 1.773 69 C CB -0.985 26.792 27.740 0.061 0.000 1.862 69 C HN 0.750 nan 8.230 nan 0.000 0.530 70 H N -1.904 117.133 119.070 -0.056 0.000 2.865 70 H HA 0.591 5.147 4.556 -0.000 0.000 0.372 70 H C -0.624 174.663 175.328 -0.070 0.000 1.173 70 H CA -0.658 55.356 56.048 -0.056 0.000 1.147 70 H CB 1.349 31.078 29.762 -0.055 0.000 1.805 70 H HN -0.024 nan 8.280 nan 0.000 0.553 71 A N 2.689 125.431 122.820 -0.129 0.000 2.473 71 A HA 0.130 4.450 4.320 -0.000 0.000 0.282 71 A C 1.227 178.652 177.584 -0.265 0.000 1.163 71 A CA -0.395 51.545 52.037 -0.162 0.000 0.827 71 A CB -0.380 18.608 19.000 -0.019 0.000 1.098 71 A HN 0.806 nan 8.150 nan 0.000 0.515 72 R N 1.321 121.481 120.500 -0.566 0.000 2.189 72 R HA -0.001 4.339 4.340 -0.000 0.000 0.223 72 R C -0.658 175.329 176.300 -0.521 0.000 1.092 72 R CA 0.872 56.552 56.100 -0.699 0.000 0.989 72 R CB 0.004 29.647 30.300 -1.095 0.000 0.876 72 R HN 0.674 nan 8.270 nan 0.000 0.457 73 F N -0.486 119.491 119.950 0.045 0.000 2.443 73 F HA 0.439 4.966 4.527 -0.000 0.000 0.335 73 F C 1.108 176.956 175.800 0.081 0.000 1.104 73 F CA -1.167 56.883 58.000 0.085 0.000 1.013 73 F CB 1.268 40.317 39.000 0.082 0.000 1.136 73 F HN -0.111 nan 8.300 nan 0.000 0.470 74 G N 2.044 111.016 108.800 0.287 0.000 2.543 74 G HA2 0.381 4.341 3.960 -0.000 0.000 0.290 74 G HA3 0.381 4.341 3.960 -0.000 0.000 0.290 74 G C -2.075 172.905 174.900 0.134 0.000 1.310 74 G CA -1.419 43.792 45.100 0.185 0.000 1.025 74 G HN 0.390 nan 8.290 nan 0.000 0.502 75 P HA -0.078 nan 4.420 nan 0.000 0.216 75 P C 2.003 179.285 177.300 -0.031 0.000 1.150 75 P CA 0.642 63.751 63.100 0.016 0.000 0.837 75 P CB 0.133 31.830 31.700 -0.005 0.000 0.786 76 L N -1.072 120.069 121.223 -0.138 0.000 2.141 76 L HA -0.007 4.332 4.340 -0.000 0.000 0.209 76 L C 2.533 179.305 176.870 -0.164 0.000 1.094 76 L CA 2.052 56.682 54.840 -0.350 0.000 0.763 76 L CB -1.764 39.672 42.059 -1.039 0.000 0.908 76 L HN 0.005 nan 8.230 nan 0.000 0.437 77 G N -1.230 107.589 108.800 0.032 0.000 2.408 77 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.217 77 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.217 77 G C 1.592 176.453 174.900 -0.065 0.000 1.150 77 G CA 0.894 46.111 45.100 0.196 0.000 0.776 77 G HN 0.238 nan 8.290 nan 0.000 0.542 78 V N 0.628 120.553 119.914 0.019 0.000 2.427 78 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 78 V C 2.776 178.837 176.094 -0.055 0.000 1.051 78 V CA 1.794 64.080 62.300 -0.024 0.000 1.048 78 V CB -0.256 31.594 31.823 0.044 0.000 0.666 78 V HN 0.267 nan 8.190 nan 0.000 0.456 79 E N -0.061 120.121 120.200 -0.030 0.000 2.072 79 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 79 E C 2.138 178.719 176.600 -0.031 0.000 0.985 79 E CA 1.080 57.466 56.400 -0.024 0.000 0.801 79 E CB -0.418 29.276 29.700 -0.010 0.000 0.750 79 E HN 0.450 nan 8.360 nan 0.000 0.452 80 L N 1.585 122.800 121.223 -0.014 0.000 2.012 80 L HA -0.187 4.152 4.340 -0.000 0.000 0.210 80 L C 2.476 179.291 176.870 -0.091 0.000 1.073 80 L CA 1.942 56.774 54.840 -0.014 0.000 0.748 80 L CB -0.523 41.588 42.059 0.086 0.000 0.891 80 L HN -0.026 nan 8.230 nan 0.000 0.431 81 R N -0.382 120.015 120.500 -0.170 0.000 2.081 81 R HA -0.213 4.126 4.340 -0.000 0.000 0.235 81 R C 2.495 178.742 176.300 -0.089 0.000 1.131 81 R CA 1.810 57.801 56.100 -0.181 0.000 0.960 81 R CB -0.304 29.797 30.300 -0.333 0.000 0.856 81 R HN 0.441 nan 8.270 nan 0.000 0.436 82 K N 0.139 120.494 120.400 -0.075 0.000 2.063 82 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 82 K C 1.591 178.172 176.600 -0.032 0.000 1.048 82 K CA 1.871 58.131 56.287 -0.046 0.000 0.928 82 K CB -0.081 32.397 32.500 -0.038 0.000 0.713 82 K HN 0.203 nan 8.250 nan 0.000 0.442 83 N N 1.160 119.830 118.700 -0.050 0.000 2.120 83 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 83 N C 1.737 177.190 175.510 -0.096 0.000 1.024 83 N CA 0.923 53.931 53.050 -0.070 0.000 0.852 83 N CB -0.398 38.029 38.487 -0.101 0.000 1.003 83 N HN 0.149 nan 8.380 nan 0.000 0.424 84 L N 1.127 122.285 121.223 -0.108 0.000 2.017 84 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 84 L C 2.075 179.042 176.870 0.161 0.000 1.073 84 L CA 1.603 56.410 54.840 -0.054 0.000 0.745 84 L CB -0.963 41.107 42.059 0.018 0.000 0.894 84 L HN 0.142 nan 8.230 nan 0.000 0.432 85 A N -1.666 121.217 122.820 0.105 0.000 1.933 85 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 85 A C 2.375 180.098 177.584 0.232 0.000 1.175 85 A CA 1.926 54.043 52.037 0.134 0.000 0.628 85 A CB -0.896 18.114 19.000 0.017 0.000 0.814 85 A HN 0.526 nan 8.150 nan 0.000 0.444 86 S N -0.219 115.568 115.700 0.146 0.000 2.368 86 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 86 S C 2.117 176.860 174.600 0.238 0.000 1.030 86 S CA 1.339 59.641 58.200 0.170 0.000 0.999 86 S CB -0.291 62.956 63.200 0.078 0.000 0.844 86 S HN 0.595 nan 8.310 nan 0.000 0.459 87 Q N -0.318 119.623 119.800 0.235 0.000 2.124 87 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 87 Q C 1.833 178.158 176.000 0.541 0.000 0.977 87 Q CA 1.123 57.128 55.803 0.337 0.000 0.850 87 Q CB -0.408 28.461 28.738 0.218 0.000 0.901 87 Q HN 0.757 nan 8.270 nan 0.000 0.429 88 W N 0.414 121.937 121.300 0.371 0.000 2.355 88 W HA -0.183 4.477 4.660 -0.000 0.000 0.309 88 W C 2.095 178.590 176.519 -0.040 0.000 1.206 88 W CA 1.126 58.453 57.345 -0.029 0.000 1.284 88 W CB -0.428 28.913 29.460 -0.198 0.000 1.145 88 W HN 0.253 nan 8.180 nan 0.000 0.502 89 W N 0.992 122.470 121.300 0.296 0.000 2.342 89 W HA -0.232 4.427 4.660 -0.000 0.000 0.297 89 W C 2.148 178.577 176.519 -0.150 0.000 1.213 89 W CA 2.241 59.669 57.345 0.138 0.000 1.251 89 W CB -0.758 28.788 29.460 0.143 0.000 1.136 89 W HN -0.153 nan 8.180 nan 0.000 0.526 90 S N 0.493 116.151 115.700 -0.069 0.000 2.356 90 S HA -0.124 4.346 4.470 -0.000 0.000 0.223 90 S C 1.216 175.364 174.600 -0.753 0.000 1.032 90 S CA 1.006 58.877 58.200 -0.548 0.000 1.005 90 S CB -0.534 62.384 63.200 -0.470 0.000 0.867 90 S HN 0.028 nan 8.310 nan 0.000 0.449 94 V N 0.762 120.373 119.914 -0.504 0.000 2.295 94 V HA -0.169 3.950 4.120 -0.000 0.000 0.246 94 V C 2.050 178.117 176.094 -0.044 0.000 1.049 94 V CA 2.543 64.681 62.300 -0.269 0.000 1.024 94 V CB -0.656 30.962 31.823 -0.342 0.000 0.648 94 V HN 0.539 nan 8.190 nan 0.000 0.447 95 F N 0.693 120.611 119.950 -0.053 0.000 2.802 95 F HA 0.212 4.738 4.527 -0.000 0.000 0.300 95 F C 1.181 177.034 175.800 0.088 0.000 1.168 95 F CA -0.043 57.984 58.000 0.046 0.000 1.433 95 F CB -0.593 38.425 39.000 0.029 0.000 1.115 95 F HN 0.103 nan 8.300 nan 0.000 0.582 96 R N 1.488 122.056 120.500 0.114 0.000 2.422 96 R HA 0.144 4.484 4.340 -0.000 0.000 0.307 96 R C 1.034 177.311 176.300 -0.038 0.000 1.004 96 R CA -0.175 55.967 56.100 0.071 0.000 0.882 96 R CB 1.172 31.491 30.300 0.033 0.000 1.164 96 R HN 0.146 nan 8.270 nan 0.000 0.489 97 E N 2.518 122.713 120.200 -0.008 0.000 2.347 97 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 97 E C 0.340 176.850 176.600 -0.150 0.000 1.008 97 E CA 1.164 57.513 56.400 -0.085 0.000 0.852 97 E CB 0.296 29.986 29.700 -0.016 0.000 0.783 97 E HN 0.569 nan 8.360 nan 0.000 0.505 98 Q N 0.690 120.489 119.800 -0.002 0.000 2.246 98 Q HA 0.215 4.555 4.340 -0.000 0.000 0.202 98 Q C -0.494 175.597 176.000 0.152 0.000 0.883 98 Q CA -0.139 55.744 55.803 0.133 0.000 0.952 98 Q CB 1.273 30.172 28.738 0.268 0.000 1.078 98 Q HN 0.008 nan 8.270 nan 0.000 0.493 99 V N 1.210 121.025 119.914 -0.164 0.000 2.448 99 V HA 0.413 4.532 4.120 -0.000 0.000 0.295 99 V C -0.729 175.091 176.094 -0.457 0.000 1.025 99 V CA -0.619 61.635 62.300 -0.077 0.000 0.859 99 V CB 0.853 32.630 31.823 -0.077 0.000 0.988 99 V HN 0.070 nan 8.190 nan 0.000 0.431 100 F N 2.111 122.122 119.950 0.100 0.000 2.538 100 F HA 0.793 5.320 4.527 -0.000 0.000 0.325 100 F C 0.635 176.498 175.800 0.106 0.000 1.066 100 F CA -0.843 57.208 58.000 0.084 0.000 0.946 100 F CB 1.593 40.649 39.000 0.094 0.000 1.199 100 F HN 0.534 nan 8.300 nan 0.000 0.473 101 A N 1.604 124.616 122.820 0.320 0.000 2.401 101 A HA 0.588 4.908 4.320 -0.000 0.000 0.259 101 A C -0.719 177.032 177.584 0.278 0.000 1.103 101 A CA -0.436 51.830 52.037 0.381 0.000 0.789 101 A CB 0.746 20.063 19.000 0.528 0.000 1.035 101 A HN 0.705 nan 8.150 nan 0.000 0.491 102 V N 1.754 121.805 119.914 0.227 0.000 2.914 102 V HA 0.711 4.831 4.120 -0.000 0.000 0.314 102 V C -1.316 174.774 176.094 -0.006 0.000 1.084 102 V CA -0.538 61.789 62.300 0.044 0.000 0.963 102 V CB 2.269 34.103 31.823 0.018 0.000 1.025 102 V HN 1.106 nan 8.190 nan 0.000 0.432 103 D N 2.851 123.165 120.400 -0.143 0.000 2.738 103 D HA 0.782 5.422 4.640 -0.000 0.000 0.237 103 D C -0.878 175.356 176.300 -0.110 0.000 1.123 103 D CA -0.014 53.938 54.000 -0.080 0.000 0.856 103 D CB 2.429 43.217 40.800 -0.022 0.000 1.552 103 D HN 0.922 nan 8.370 nan 0.000 0.480 104 S N 2.180 117.868 115.700 -0.019 0.000 2.588 104 S HA 0.556 5.025 4.470 -0.000 0.000 0.275 104 S C -0.452 174.172 174.600 0.039 0.000 1.130 104 S CA -1.024 57.225 58.200 0.082 0.000 0.855 104 S CB 0.705 63.986 63.200 0.136 0.000 1.116 104 S HN 0.492 nan 8.310 nan 0.000 0.472 105 L N 1.444 122.724 121.223 0.095 0.000 2.479 105 L HA 0.248 4.588 4.340 -0.000 0.000 0.270 105 L C 1.355 178.258 176.870 0.056 0.000 1.236 105 L CA -0.359 54.545 54.840 0.106 0.000 0.823 105 L CB 0.043 42.177 42.059 0.125 0.000 1.098 105 L HN 0.866 nan 8.230 nan 0.000 0.500 106 H N -1.282 117.858 119.070 0.116 0.000 2.512 106 H HA -0.003 4.553 4.556 -0.000 0.000 0.279 106 H C 0.115 175.506 175.328 0.104 0.000 0.999 106 H CA 0.278 56.422 56.048 0.159 0.000 1.283 106 H CB 0.138 30.015 29.762 0.192 0.000 1.421 106 H HN 0.479 nan 8.280 nan 0.000 0.554 107 Q N 0.897 120.798 119.800 0.169 0.000 2.235 107 Q HA 0.439 4.779 4.340 -0.000 0.000 0.256 107 Q C -0.796 175.249 176.000 0.075 0.000 0.951 107 Q CA -0.634 55.220 55.803 0.086 0.000 0.890 107 Q CB 2.295 31.060 28.738 0.046 0.000 1.279 107 Q HN 0.279 nan 8.270 nan 0.000 0.444 108 E N 1.530 121.761 120.200 0.052 0.000 2.299 108 E HA 0.430 4.780 4.350 -0.000 0.000 0.265 108 E C -2.582 174.025 176.600 0.012 0.000 0.911 108 E CA -2.509 53.913 56.400 0.037 0.000 0.789 108 E CB 1.691 31.413 29.700 0.038 0.000 1.246 108 E HN 0.452 nan 8.360 nan 0.000 0.427 109 P HA -0.001 nan 4.420 nan 0.000 0.265 109 P C -0.331 176.957 177.300 -0.020 0.000 1.187 109 P CA 0.127 63.219 63.100 -0.013 0.000 0.766 109 P CB 0.402 32.089 31.700 -0.021 0.000 0.820 110 G N 1.122 109.908 108.800 -0.023 0.000 2.442 110 G HA2 0.364 4.323 3.960 -0.000 0.000 0.249 110 G HA3 0.364 4.323 3.960 -0.000 0.000 0.249 110 G C 0.710 175.590 174.900 -0.033 0.000 1.263 110 G CA 0.111 45.194 45.100 -0.029 0.000 0.846 110 G HN 0.532 nan 8.290 nan 0.000 0.555 111 S N -0.495 115.185 115.700 -0.035 0.000 3.526 111 S HA 0.150 4.620 4.470 -0.000 0.000 0.222 111 S C 1.858 176.437 174.600 -0.035 0.000 1.001 111 S CA 1.580 59.761 58.200 -0.033 0.000 0.831 111 S CB -0.174 63.005 63.200 -0.035 0.000 0.941 111 S HN 2.170 nan 8.310 nan 0.000 0.585 112 S N 1.120 116.798 115.700 -0.038 0.000 2.580 112 S HA -0.460 4.010 4.470 -0.000 0.000 0.251 112 S C 1.336 175.915 174.600 -0.035 0.000 1.281 112 S CA 1.786 59.962 58.200 -0.041 0.000 1.558 112 S CB -2.356 60.816 63.200 -0.046 0.000 1.996 112 S HN 0.736 nan 8.310 nan 0.000 0.656 113 Q N 1.712 121.494 119.800 -0.029 0.000 2.061 113 Q HA -0.029 4.311 4.340 -0.000 0.000 0.204 113 Q C -0.373 175.613 176.000 -0.023 0.000 0.984 113 Q CA 1.923 57.712 55.803 -0.023 0.000 0.846 113 Q CB -0.970 27.757 28.738 -0.017 0.000 0.902 113 Q HN 0.705 nan 8.270 nan 0.000 0.421 114 P HA -0.141 nan 4.420 nan 0.000 0.218 114 P C -0.090 177.193 177.300 -0.028 0.000 1.149 114 P CA 1.635 64.719 63.100 -0.027 0.000 0.817 114 P CB 0.095 31.775 31.700 -0.033 0.000 0.785 115 R N -3.296 117.184 120.500 -0.033 0.000 2.977 115 R HA -0.105 4.234 4.340 -0.000 0.000 0.492 115 R C -0.430 175.846 176.300 -0.041 0.000 0.642 115 R CA 0.641 56.719 56.100 -0.036 0.000 1.341 115 R CB -3.166 27.116 30.300 -0.030 0.000 2.048 115 R HN 0.301 nan 8.270 nan 0.000 0.403 116 D N 2.179 122.557 120.400 -0.037 0.000 2.560 116 D HA -0.098 4.542 4.640 -0.000 0.000 0.226 116 D C 0.831 177.101 176.300 -0.049 0.000 1.222 116 D CA 1.146 55.126 54.000 -0.033 0.000 0.880 116 D CB 0.516 41.300 40.800 -0.027 0.000 1.234 116 D HN 0.460 nan 8.370 nan 0.000 0.515 117 S N -0.678 114.996 115.700 -0.043 0.000 2.540 117 S HA 0.386 4.856 4.470 -0.000 0.000 0.218 117 S C 0.848 175.376 174.600 -0.120 0.000 0.977 117 S CA -0.198 57.950 58.200 -0.086 0.000 0.918 117 S CB -0.121 63.050 63.200 -0.049 0.000 0.806 117 S HN 0.803 nan 8.310 nan 0.000 0.496 118 A N 1.616 124.408 122.820 -0.046 0.000 2.477 118 A HA 0.516 4.835 4.320 -0.000 0.000 0.246 118 A C -0.133 177.425 177.584 -0.044 0.000 1.078 118 A CA -0.325 51.724 52.037 0.019 0.000 0.770 118 A CB -0.464 18.573 19.000 0.063 0.000 1.011 118 A HN 0.430 nan 8.150 nan 0.000 0.494 119 F N 1.467 121.414 119.950 -0.005 0.000 2.572 119 F HA 0.262 4.789 4.527 -0.001 0.000 0.370 119 F C 1.188 176.954 175.800 -0.058 0.000 1.103 119 F CA 0.989 58.966 58.000 -0.038 0.000 1.286 119 F CB 0.616 39.578 39.000 -0.064 0.000 1.105 119 F HN 0.522 nan 8.300 nan 0.000 0.583 120 R N 2.522 123.079 120.500 0.094 0.000 2.536 120 R HA 0.547 4.886 4.340 -0.000 0.000 0.279 120 R C -1.088 175.235 176.300 0.039 0.000 1.001 120 R CA -0.725 55.395 56.100 0.033 0.000 1.027 120 R CB 0.751 31.044 30.300 -0.013 0.000 1.096 120 R HN 0.565 nan 8.270 nan 0.000 0.502 121 L N 2.369 123.592 121.223 -0.001 0.000 2.265 121 L HA 0.512 4.851 4.340 -0.000 0.000 0.289 121 L C -0.791 176.071 176.870 -0.013 0.000 1.033 121 L CA -0.899 53.932 54.840 -0.014 0.000 0.814 121 L CB 1.422 43.462 42.059 -0.032 0.000 1.203 121 L HN 0.192 nan 8.230 nan 0.000 0.423 122 V N 1.875 121.787 119.914 -0.002 0.000 2.540 122 V HA 0.253 4.372 4.120 -0.000 0.000 0.302 122 V C 0.216 176.323 176.094 0.021 0.000 1.035 122 V CA -0.640 61.662 62.300 0.004 0.000 0.873 122 V CB 1.992 33.825 31.823 0.016 0.000 0.992 122 V HN 0.788 nan 8.190 nan 0.000 0.428 123 S N 6.828 122.545 115.700 0.029 0.000 2.488 123 S HA 0.244 4.713 4.470 -0.000 0.000 0.278 123 S C -0.810 173.828 174.600 0.064 0.000 1.259 123 S CA -0.926 57.297 58.200 0.039 0.000 1.061 123 S CB 0.998 64.221 63.200 0.039 0.000 0.910 123 S HN 0.657 nan 8.310 nan 0.000 0.491 124 P HA -0.141 nan 4.420 nan 0.000 0.217 124 P C 0.998 178.325 177.300 0.045 0.000 1.150 124 P CA 1.192 64.320 63.100 0.045 0.000 0.832 124 P CB 0.139 31.854 31.700 0.025 0.000 0.787 125 E N 0.747 120.970 120.200 0.038 0.000 2.021 125 E HA -0.219 4.131 4.350 -0.000 0.000 0.200 125 E C 2.393 179.023 176.600 0.050 0.000 1.015 125 E CA 2.135 58.555 56.400 0.033 0.000 0.824 125 E CB -0.767 28.950 29.700 0.029 0.000 0.762 125 E HN 0.311 nan 8.360 nan 0.000 0.454 126 S N 1.058 116.812 115.700 0.091 0.000 2.393 126 S HA -0.275 4.195 4.470 -0.000 0.000 0.234 126 S C 2.067 176.756 174.600 0.149 0.000 1.064 126 S CA 1.752 60.051 58.200 0.166 0.000 1.088 126 S CB -0.757 62.588 63.200 0.241 0.000 0.939 126 S HN 0.265 nan 8.310 nan 0.000 0.448 127 I N 1.253 121.916 120.570 0.156 0.000 2.202 127 I HA -0.122 4.048 4.170 -0.000 0.000 0.242 127 I C 3.197 179.260 176.117 -0.091 0.000 1.091 127 I CA 1.465 62.779 61.300 0.023 0.000 1.368 127 I CB -0.352 37.709 38.000 0.102 0.000 1.058 127 I HN 0.263 nan 8.210 nan 0.000 0.410 128 R N 0.545 121.026 120.500 -0.032 0.000 2.081 128 R HA -0.212 4.128 4.340 -0.000 0.000 0.235 128 R C 2.363 178.625 176.300 -0.064 0.000 1.131 128 R CA 1.637 57.711 56.100 -0.043 0.000 0.960 128 R CB -0.389 29.901 30.300 -0.017 0.000 0.856 128 R HN 0.400 nan 8.270 nan 0.000 0.436 129 E N 1.736 121.905 120.200 -0.053 0.000 2.118 129 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 129 E C 1.821 178.361 176.600 -0.099 0.000 0.992 129 E CA 1.751 58.119 56.400 -0.053 0.000 0.804 129 E CB -0.141 29.549 29.700 -0.017 0.000 0.741 129 E HN 0.563 nan 8.360 nan 0.000 0.458 130 I N -1.932 118.522 120.570 -0.193 0.000 2.876 130 I HA -0.031 4.139 4.170 -0.000 0.000 0.264 130 I C 2.128 178.122 176.117 -0.205 0.000 1.204 130 I CA 0.224 61.369 61.300 -0.259 0.000 1.485 130 I CB -0.026 37.640 38.000 -0.556 0.000 1.103 130 I HN 0.018 nan 8.210 nan 0.000 0.446 131 L N 0.699 121.818 121.223 -0.175 0.000 2.121 131 L HA 0.200 4.540 4.340 -0.000 0.000 0.200 131 L C 1.346 178.169 176.870 -0.079 0.000 1.132 131 L CA 1.380 56.145 54.840 -0.125 0.000 0.782 131 L CB -0.427 41.567 42.059 -0.109 0.000 0.940 131 L HN 0.372 nan 8.230 nan 0.000 0.458 132 Q N 0.833 120.596 119.800 -0.061 0.000 2.569 132 Q HA 0.322 4.662 4.340 -0.000 0.000 0.226 132 Q C -1.640 174.336 176.000 -0.041 0.000 1.136 132 Q CA -0.163 55.615 55.803 -0.043 0.000 0.947 132 Q CB 0.061 28.780 28.738 -0.032 0.000 1.218 132 Q HN 0.413 nan 8.270 nan 0.000 0.547 138 K N 0.934 121.334 120.400 0.001 0.000 2.044 138 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 138 K C 1.555 178.164 176.600 0.016 0.000 1.049 138 K CA 2.328 58.620 56.287 0.008 0.000 0.927 138 K CB -0.615 31.889 32.500 0.007 0.000 0.713 138 K HN 0.592 nan 8.250 nan 0.000 0.443 139 E N 0.244 120.452 120.200 0.014 0.000 2.049 139 E HA -0.251 4.099 4.350 -0.000 0.000 0.198 139 E C 2.258 178.877 176.600 0.031 0.000 1.007 139 E CA 1.890 58.301 56.400 0.019 0.000 0.809 139 E CB -0.075 29.634 29.700 0.015 0.000 0.749 139 E HN 0.405 nan 8.360 nan 0.000 0.450 140 Q N 0.383 120.200 119.800 0.028 0.000 2.167 140 Q HA -0.091 4.248 4.340 -0.000 0.000 0.202 140 Q C 2.185 178.228 176.000 0.073 0.000 0.970 140 Q CA 0.969 56.797 55.803 0.041 0.000 0.855 140 Q CB -0.057 28.691 28.738 0.016 0.000 0.911 140 Q HN 0.284 nan 8.270 nan 0.000 0.438 141 L N -0.803 120.451 121.223 0.050 0.000 2.109 141 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 141 L C 2.107 179.059 176.870 0.137 0.000 1.086 141 L CA 0.537 55.422 54.840 0.075 0.000 0.760 141 L CB -0.372 41.701 42.059 0.024 0.000 0.910 141 L HN 0.096 nan 8.230 nan 0.000 0.437 142 V N 0.198 120.163 119.914 0.086 0.000 2.358 142 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 142 V C 2.765 178.904 176.094 0.076 0.000 1.047 142 V CA 1.751 64.093 62.300 0.070 0.000 1.035 142 V CB -0.709 31.138 31.823 0.040 0.000 0.658 142 V HN 0.454 nan 8.190 nan 0.000 0.452 143 A N -0.387 122.482 122.820 0.081 0.000 1.877 143 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 143 A C 2.111 179.748 177.584 0.089 0.000 1.186 143 A CA 2.043 54.121 52.037 0.068 0.000 0.620 143 A CB -0.762 18.277 19.000 0.066 0.000 0.822 143 A HN 0.509 nan 8.150 nan 0.000 0.443 144 F N 0.658 120.605 119.950 -0.004 0.000 2.065 144 F HA -0.225 4.301 4.527 -0.000 0.000 0.298 144 F C 1.988 177.786 175.800 -0.004 0.000 1.112 144 F CA 2.050 60.048 58.000 -0.004 0.000 1.212 144 F CB -0.417 38.581 39.000 -0.003 0.000 0.975 144 F HN 0.158 nan 8.300 nan 0.000 0.476 145 L N 0.025 121.299 121.223 0.084 0.000 2.012 145 L HA -0.255 4.084 4.340 -0.000 0.000 0.210 145 L C 2.495 179.309 176.870 -0.093 0.000 1.073 145 L CA 1.861 56.685 54.840 -0.026 0.000 0.748 145 L CB -0.832 41.264 42.059 0.063 0.000 0.891 145 L HN 0.223 nan 8.230 nan 0.000 0.431 146 E N -0.055 120.114 120.200 -0.051 0.000 2.085 146 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 146 E C 1.983 178.527 176.600 -0.093 0.000 0.994 146 E CA 1.258 57.625 56.400 -0.055 0.000 0.801 146 E CB -0.124 29.561 29.700 -0.026 0.000 0.743 146 E HN 0.522 nan 8.360 nan 0.000 0.453 147 N N 0.772 119.392 118.700 -0.133 0.000 2.069 147 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 147 N C 2.106 177.494 175.510 -0.204 0.000 1.031 147 N CA 0.909 53.861 53.050 -0.163 0.000 0.852 147 N CB -0.305 38.059 38.487 -0.206 0.000 1.018 147 N HN 0.175 nan 8.380 nan 0.000 0.423 148 L N 0.550 121.594 121.223 -0.299 0.000 1.989 148 L HA -0.192 4.147 4.340 -0.000 0.000 0.211 148 L C 2.409 179.192 176.870 -0.145 0.000 1.071 148 L CA 0.911 55.597 54.840 -0.256 0.000 0.749 148 L CB -0.508 41.387 42.059 -0.274 0.000 0.890 148 L HN 0.125 nan 8.230 nan 0.000 0.431 149 L N -0.080 121.072 121.223 -0.119 0.000 2.042 149 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 149 L C 2.518 179.344 176.870 -0.072 0.000 1.076 149 L CA 1.865 56.655 54.840 -0.082 0.000 0.749 149 L CB -0.512 41.507 42.059 -0.067 0.000 0.893 149 L HN 0.117 nan 8.230 nan 0.000 0.432 150 K N -1.916 118.439 120.400 -0.075 0.000 2.116 150 K HA -0.039 4.280 4.320 -0.000 0.000 0.203 150 K C 1.690 178.255 176.600 -0.058 0.000 1.052 150 K CA 1.531 57.782 56.287 -0.059 0.000 0.952 150 K CB 0.130 32.599 32.500 -0.053 0.000 0.729 150 K HN 0.547 nan 8.250 nan 0.000 0.446 151 T N -2.997 111.514 114.554 -0.071 0.000 2.971 151 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 151 T C 0.744 175.409 174.700 -0.059 0.000 1.022 151 T CA -0.443 61.621 62.100 -0.061 0.000 0.980 151 T CB 0.404 69.233 68.868 -0.064 0.000 1.044 151 T HN -0.189 nan 8.240 nan 0.000 0.501 152 S N 1.829 117.486 115.700 -0.071 0.000 2.562 152 S HA 0.522 4.992 4.470 -0.000 0.000 0.281 152 S C 1.085 175.662 174.600 -0.038 0.000 1.333 152 S CA -0.368 57.797 58.200 -0.058 0.000 1.052 152 S CB 0.515 63.676 63.200 -0.064 0.000 0.884 152 S HN 0.709 nan 8.310 nan 0.000 0.506 153 G N 1.691 110.474 108.800 -0.027 0.000 2.667 153 G HA2 0.377 4.337 3.960 -0.000 0.000 0.250 153 G HA3 0.377 4.337 3.960 -0.000 0.000 0.250 153 G C -0.337 174.555 174.900 -0.014 0.000 1.212 153 G CA -0.533 44.557 45.100 -0.017 0.000 0.874 153 G HN 0.714 nan 8.290 nan 0.000 0.561 154 K N -0.494 119.904 120.400 -0.004 0.000 2.443 154 K HA 0.584 4.903 4.320 -0.000 0.000 0.251 154 K C -1.005 175.602 176.600 0.011 0.000 0.972 154 K CA -1.027 55.264 56.287 0.007 0.000 0.833 154 K CB 1.881 34.387 32.500 0.010 0.000 1.317 154 K HN 0.312 nan 8.250 nan 0.000 0.441 155 L N 3.023 124.247 121.223 0.001 0.000 2.350 155 L HA 0.335 4.675 4.340 -0.000 0.000 0.275 155 L C 0.727 177.679 176.870 0.137 0.000 1.099 155 L CA -0.877 53.939 54.840 -0.039 0.000 0.808 155 L CB 0.957 42.809 42.059 -0.346 0.000 1.149 155 L HN 0.730 nan 8.230 nan 0.000 0.442 156 R N 2.421 123.060 120.500 0.232 0.000 2.643 156 R HA 0.282 4.622 4.340 -0.000 0.000 0.270 156 R C 0.326 176.813 176.300 0.312 0.000 1.061 156 R CA 0.169 56.417 56.100 0.247 0.000 1.107 156 R CB 0.534 30.963 30.300 0.215 0.000 0.999 156 R HN 0.705 nan 8.270 nan 0.000 0.460 157 A N 2.017 124.975 122.820 0.231 0.000 2.140 157 A HA 0.115 4.435 4.320 -0.000 0.000 0.209 157 A C 0.552 178.232 177.584 0.160 0.000 1.181 157 A CA 0.930 53.096 52.037 0.215 0.000 0.824 157 A CB 0.226 19.333 19.000 0.178 0.000 0.879 157 A HN 0.931 nan 8.150 nan 0.000 0.480 158 T N -4.490 110.151 114.554 0.144 0.000 2.816 158 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 158 T C 0.187 174.932 174.700 0.076 0.000 1.230 158 T CA -0.530 61.624 62.100 0.090 0.000 1.007 158 T CB 0.735 69.638 68.868 0.059 0.000 1.289 158 T HN -0.027 nan 8.240 nan 0.000 0.508 159 L N 0.922 122.164 121.223 0.032 0.000 2.607 159 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 159 L C 2.182 179.061 176.870 0.014 0.000 1.123 159 L CA -0.039 54.818 54.840 0.028 0.000 0.890 159 L CB -0.398 41.666 42.059 0.009 0.000 1.103 159 L HN 0.590 nan 8.230 nan 0.000 0.468 160 L N 0.193 121.378 121.223 -0.063 0.000 1.990 160 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 160 L C 2.708 179.464 176.870 -0.191 0.000 1.072 160 L CA 2.067 56.803 54.840 -0.175 0.000 0.755 160 L CB -0.729 41.127 42.059 -0.338 0.000 0.889 160 L HN 0.281 nan 8.230 nan 0.000 0.432 161 H N -0.625 118.495 119.070 0.084 0.000 2.456 161 H HA -0.045 4.511 4.556 -0.000 0.000 0.296 161 H C 2.088 177.499 175.328 0.138 0.000 1.079 161 H CA 1.119 57.222 56.048 0.092 0.000 1.322 161 H CB -0.668 29.130 29.762 0.059 0.000 1.388 161 H HN 0.565 nan 8.280 nan 0.000 0.538 162 G N 0.728 109.656 108.800 0.213 0.000 2.421 162 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 162 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 162 G C 2.033 177.143 174.900 0.349 0.000 1.171 162 G CA 1.307 46.559 45.100 0.254 0.000 0.775 162 G HN 0.508 nan 8.290 nan 0.000 0.543 163 A N 0.616 123.591 122.820 0.260 0.000 1.877 163 A HA 0.091 4.410 4.320 -0.000 0.000 0.216 163 A C 2.464 180.318 177.584 0.450 0.000 1.186 163 A CA 1.339 53.581 52.037 0.341 0.000 0.620 163 A CB -0.491 18.671 19.000 0.269 0.000 0.822 163 A HN 0.345 nan 8.150 nan 0.000 0.443 164 L N -0.766 120.675 121.223 0.364 0.000 2.042 164 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 164 L C 2.498 179.591 176.870 0.371 0.000 1.076 164 L CA 1.854 56.922 54.840 0.381 0.000 0.749 164 L CB -0.630 41.585 42.059 0.260 0.000 0.893 164 L HN 0.467 nan 8.230 nan 0.000 0.432 165 E N -1.215 119.141 120.200 0.259 0.000 2.338 165 E HA -0.147 4.203 4.350 -0.000 0.000 0.197 165 E C 1.510 178.150 176.600 0.066 0.000 1.007 165 E CA 0.605 57.062 56.400 0.096 0.000 0.849 165 E CB 0.103 29.803 29.700 -0.000 0.000 0.774 165 E HN 0.561 nan 8.360 nan 0.000 0.506 166 H N -1.731 117.493 119.070 0.257 0.000 2.652 166 H HA 0.011 4.567 4.556 -0.000 0.000 0.274 166 H C 0.991 176.441 175.328 0.204 0.000 1.021 166 H CA -0.036 56.135 56.048 0.205 0.000 1.187 166 H CB 0.363 30.229 29.762 0.172 0.000 1.505 166 H HN 0.251 nan 8.280 nan 0.000 0.530 167 Y N 1.790 122.220 120.300 0.217 0.000 2.128 167 Y HA -0.243 4.306 4.550 -0.000 0.000 0.284 167 Y C 2.119 177.973 175.900 -0.077 0.000 1.154 167 Y CA 1.362 59.459 58.100 -0.005 0.000 1.149 167 Y CB -0.451 37.901 38.460 -0.179 0.000 0.976 167 Y HN -0.107 nan 8.280 nan 0.000 0.505 168 V N 1.310 121.123 119.914 -0.168 0.000 2.515 168 V HA -0.291 3.829 4.120 -0.000 0.000 0.250 168 V C 2.062 177.979 176.094 -0.296 0.000 1.058 168 V CA 1.965 64.035 62.300 -0.383 0.000 1.064 168 V CB -0.721 30.949 31.823 -0.255 0.000 0.675 168 V HN 0.490 nan 8.190 nan 0.000 0.461 169 N N -0.620 117.991 118.700 -0.148 0.000 2.120 169 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 169 N C 1.844 177.199 175.510 -0.258 0.000 1.024 169 N CA 1.794 54.761 53.050 -0.139 0.000 0.852 169 N CB -0.757 37.718 38.487 -0.020 0.000 1.003 169 N HN 0.487 nan 8.380 nan 0.000 0.424 170 C N 0.539 119.658 119.300 -0.301 0.000 2.435 170 C HA 0.083 4.543 4.460 -0.000 0.000 0.279 170 C C 2.629 177.099 174.990 -0.867 0.000 1.321 170 C CA -0.087 58.608 59.018 -0.538 0.000 1.752 170 C CB -1.244 26.276 27.740 -0.366 0.000 1.959 170 C HN 0.296 nan 8.230 nan 0.000 0.500 171 L N 1.349 122.100 121.223 -0.788 0.000 2.013 171 L HA -0.158 4.181 4.340 -0.000 0.000 0.212 171 L C 2.092 178.652 176.870 -0.518 0.000 1.073 171 L CA 2.623 57.026 54.840 -0.728 0.000 0.753 171 L CB -1.076 40.571 42.059 -0.687 0.000 0.890 171 L HN 0.417 nan 8.230 nan 0.000 0.432 172 D N -1.543 118.611 120.400 -0.410 0.000 2.117 172 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 172 D C 2.166 178.281 176.300 -0.308 0.000 0.987 172 D CA 0.920 54.744 54.000 -0.294 0.000 0.829 172 D CB -0.060 40.608 40.800 -0.220 0.000 0.961 172 D HN 0.211 nan 8.370 nan 0.000 0.460 173 L N 0.244 121.231 121.223 -0.394 0.000 2.079 173 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 173 L C 1.921 178.548 176.870 -0.406 0.000 1.081 173 L CA 1.472 56.071 54.840 -0.402 0.000 0.752 173 L CB -0.311 41.431 42.059 -0.528 0.000 0.896 173 L HN 0.247 nan 8.230 nan 0.000 0.433 174 V N -3.340 116.268 119.914 -0.511 0.000 3.444 174 V HA 0.292 4.412 4.120 -0.000 0.000 0.308 174 V C 1.027 176.970 176.094 -0.251 0.000 1.371 174 V CA 0.304 62.378 62.300 -0.377 0.000 1.141 174 V CB -1.077 30.463 31.823 -0.471 0.000 1.037 174 V HN 0.629 nan 8.190 nan 0.000 0.433 175 N N 2.507 121.064 118.700 -0.238 0.000 2.716 175 N HA -0.276 4.464 4.740 -0.000 0.000 0.250 175 N C 0.773 176.192 175.510 -0.151 0.000 1.033 175 N CA 1.334 54.283 53.050 -0.168 0.000 0.727 175 N CB -1.009 37.412 38.487 -0.110 0.000 0.950 175 N HN 0.852 nan 8.380 nan 0.000 0.541 176 R N -3.243 117.133 120.500 -0.207 0.000 3.922 176 R HA -0.228 4.112 4.340 -0.000 0.000 0.447 176 R C -0.527 175.740 176.300 -0.055 0.000 1.035 176 R CA 1.473 57.486 56.100 -0.144 0.000 1.289 176 R CB -1.520 28.719 30.300 -0.101 0.000 1.906 176 R HN 0.461 nan 8.270 nan 0.000 0.540 177 K N 1.860 122.222 120.400 -0.063 0.000 2.383 177 K HA 0.261 4.580 4.320 -0.000 0.000 0.286 177 K C 0.363 177.028 176.600 0.107 0.000 1.051 177 K CA 0.126 56.420 56.287 0.012 0.000 0.974 177 K CB 0.546 33.047 32.500 0.001 0.000 0.968 177 K HN 0.066 nan 8.250 nan 0.000 0.475 178 L N 5.237 126.524 121.223 0.106 0.000 2.379 178 L HA 0.448 4.787 4.340 -0.000 0.000 0.269 178 L C -1.801 175.081 176.870 0.021 0.000 1.084 178 L CA -2.128 52.758 54.840 0.078 0.000 0.802 178 L CB 0.810 42.888 42.059 0.031 0.000 1.175 178 L HN 0.503 nan 8.230 nan 0.000 0.448 179 P HA 0.522 nan 4.420 nan 0.000 0.283 179 P C -1.318 175.722 177.300 -0.433 0.000 1.271 179 P CA -0.343 62.479 63.100 -0.463 0.000 0.841 179 P CB 1.332 32.462 31.700 -0.949 0.000 1.122 180 F N -2.673 116.843 119.950 -0.724 0.000 2.741 180 F HA 0.813 5.339 4.527 -0.000 0.000 0.313 180 F C -0.990 174.682 175.800 -0.212 0.000 1.153 180 F CA -0.962 56.813 58.000 -0.374 0.000 0.931 180 F CB 1.059 40.078 39.000 0.032 0.000 1.335 180 F HN 0.522 nan 8.300 nan 0.000 0.460 181 G N 1.066 110.120 108.800 0.425 0.000 2.563 181 G HA2 0.681 4.641 3.960 -0.000 0.000 0.302 181 G HA3 0.681 4.641 3.960 -0.000 0.000 0.302 181 G C -2.360 172.862 174.900 0.537 0.000 1.301 181 G CA -1.118 44.248 45.100 0.443 0.000 0.965 181 G HN 0.821 nan 8.290 nan 0.000 0.480 182 L N 1.085 122.552 121.223 0.406 0.000 2.349 182 L HA 0.709 5.049 4.340 -0.000 0.000 0.278 182 L C 0.253 177.258 176.870 0.224 0.000 0.996 182 L CA -0.863 54.204 54.840 0.378 0.000 0.825 182 L CB 1.952 44.287 42.059 0.461 0.000 1.243 182 L HN 0.682 nan 8.230 nan 0.000 0.412 183 A N 3.841 126.781 122.820 0.199 0.000 2.355 183 A HA 0.825 5.144 4.320 -0.000 0.000 0.324 183 A C -0.974 176.817 177.584 0.345 0.000 1.117 183 A CA -0.438 51.727 52.037 0.212 0.000 0.785 183 A CB 2.005 21.029 19.000 0.040 0.000 1.254 183 A HN 0.699 nan 8.150 nan 0.000 0.453 184 Q N 0.981 120.989 119.800 0.346 0.000 2.386 184 Q HA 0.570 4.910 4.340 -0.000 0.000 0.274 184 Q C -2.148 173.908 176.000 0.093 0.000 1.011 184 Q CA -0.437 55.529 55.803 0.273 0.000 0.867 184 Q CB 1.793 30.604 28.738 0.121 0.000 1.409 184 Q HN 0.725 nan 8.270 nan 0.000 0.395 185 I N 2.442 123.025 120.570 0.022 0.000 2.389 185 I HA 0.817 4.987 4.170 -0.000 0.000 0.288 185 I C 0.166 176.216 176.117 -0.110 0.000 0.999 185 I CA -0.511 60.701 61.300 -0.147 0.000 1.129 185 I CB 1.944 39.828 38.000 -0.193 0.000 1.288 185 I HN 0.711 nan 8.210 nan 0.000 0.444 186 G N 4.356 113.091 108.800 -0.107 0.000 2.576 186 G HA2 0.490 4.450 3.960 -0.000 0.000 0.290 186 G HA3 0.490 4.450 3.960 -0.000 0.000 0.290 186 G C -1.581 173.276 174.900 -0.071 0.000 1.442 186 G CA -0.551 44.505 45.100 -0.074 0.000 0.792 186 G HN 0.244 nan 8.290 nan 0.000 0.491 187 V N -0.273 119.622 119.914 -0.031 0.000 2.583 187 V HA 0.439 4.559 4.120 -0.000 0.000 0.287 187 V C 0.175 176.139 176.094 -0.216 0.000 1.051 187 V CA -0.176 62.040 62.300 -0.139 0.000 1.010 187 V CB 0.845 32.565 31.823 -0.171 0.000 0.988 187 V HN 0.866 nan 8.190 nan 0.000 0.478 188 C N 4.435 123.551 119.300 -0.307 0.000 2.667 188 C HA 0.750 5.210 4.460 -0.000 0.000 0.323 188 C C -0.479 174.279 174.990 -0.387 0.000 1.214 188 C CA -0.932 57.980 59.018 -0.176 0.000 1.721 188 C CB 1.327 29.083 27.740 0.026 0.000 2.275 188 C HN 0.682 nan 8.230 nan 0.000 0.491 189 F N 1.845 121.871 119.950 0.128 0.000 2.492 189 F HA 0.621 5.147 4.527 -0.001 0.000 0.327 189 F C 0.593 176.490 175.800 0.161 0.000 1.079 189 F CA -0.316 57.729 58.000 0.075 0.000 0.967 189 F CB 1.151 40.184 39.000 0.054 0.000 1.169 189 F HN 0.678 nan 8.300 nan 0.000 0.472 190 H N -0.214 119.027 119.070 0.285 0.000 2.974 190 H HA 0.421 4.976 4.556 -0.000 0.000 0.366 190 H C -3.374 172.115 175.328 0.269 0.000 1.155 190 H CA -2.559 53.630 56.048 0.236 0.000 1.186 190 H CB 1.688 31.535 29.762 0.140 0.000 1.799 190 H HN 0.218 nan 8.280 nan 0.000 0.541 191 P HA -0.023 nan 4.420 nan 0.000 0.262 191 P C -0.383 177.095 177.300 0.297 0.000 1.182 191 P CA 0.026 63.323 63.100 0.329 0.000 0.761 191 P CB 0.609 32.398 31.700 0.148 0.000 0.795 192 V N 3.780 123.842 119.914 0.247 0.000 2.407 192 V HA 0.470 4.590 4.120 -0.000 0.000 0.291 192 V C 0.218 176.389 176.094 0.129 0.000 1.018 192 V CA -0.133 62.279 62.300 0.187 0.000 0.842 192 V CB 0.903 32.818 31.823 0.153 0.000 0.996 192 V HN 0.799 nan 8.190 nan 0.000 0.426 204 R N 0.322 120.937 120.500 0.193 0.000 2.832 204 R HA 0.855 5.195 4.340 -0.000 0.000 0.271 204 R C -0.450 175.902 176.300 0.087 0.000 0.996 204 R CA -1.085 55.077 56.100 0.103 0.000 0.977 204 R CB 2.693 33.021 30.300 0.048 0.000 1.168 204 R HN 0.319 nan 8.270 nan 0.000 0.482 205 V N 1.449 121.271 119.914 -0.153 0.000 2.350 205 V HA 0.627 4.747 4.120 -0.000 0.000 0.276 205 V C -0.202 175.774 176.094 -0.196 0.000 1.028 205 V CA -0.144 61.999 62.300 -0.261 0.000 0.860 205 V CB 1.016 32.480 31.823 -0.597 0.000 0.990 205 V HN 0.833 nan 8.190 nan 0.000 0.453 206 G N 5.054 113.629 108.800 -0.375 0.000 2.367 206 G HA2 0.609 4.569 3.960 -0.000 0.000 0.314 206 G HA3 0.609 4.569 3.960 -0.000 0.000 0.314 206 G C -0.776 173.758 174.900 -0.611 0.000 1.130 206 G CA -0.507 44.228 45.100 -0.607 0.000 0.864 206 G HN 0.794 nan 8.290 nan 0.000 0.486 207 E N 0.252 120.277 120.200 -0.291 0.000 2.210 207 E HA 0.392 4.741 4.350 -0.000 0.000 0.266 207 E C -0.608 175.932 176.600 -0.099 0.000 0.883 207 E CA -0.767 55.465 56.400 -0.280 0.000 0.761 207 E CB 2.434 31.974 29.700 -0.266 0.000 1.156 207 E HN 0.609 nan 8.360 nan 0.000 0.412 208 K N 0.860 121.214 120.400 -0.078 0.000 2.482 208 K HA 0.387 4.707 4.320 -0.000 0.000 0.251 208 K C -1.106 175.468 176.600 -0.043 0.000 0.936 208 K CA -0.611 55.689 56.287 0.021 0.000 0.791 208 K CB 1.795 34.366 32.500 0.119 0.000 1.213 208 K HN 0.184 nan 8.250 nan 0.000 0.428 209 T N 2.989 117.538 114.554 -0.008 0.000 2.737 209 T HA 0.079 4.428 4.350 -0.000 0.000 0.296 209 T C -0.659 174.017 174.700 -0.041 0.000 0.922 209 T CA -0.137 61.943 62.100 -0.033 0.000 1.079 209 T CB 0.593 69.457 68.868 -0.006 0.000 0.892 209 T HN 0.656 nan 8.240 nan 0.000 0.514 210 E N 2.100 122.253 120.200 -0.079 0.000 2.179 210 E HA 0.595 4.944 4.350 -0.000 0.000 0.275 210 E C -0.992 175.475 176.600 -0.222 0.000 0.945 210 E CA -0.973 55.367 56.400 -0.100 0.000 0.792 210 E CB 0.966 30.631 29.700 -0.057 0.000 1.125 210 E HN 0.644 nan 8.360 nan 0.000 0.397 211 A N 3.470 126.075 122.820 -0.360 0.000 2.267 211 A HA 0.433 4.753 4.320 -0.000 0.000 0.315 211 A C -0.699 176.598 177.584 -0.478 0.000 1.297 211 A CA -0.558 50.998 52.037 -0.802 0.000 0.865 211 A CB 1.205 19.236 19.000 -1.615 0.000 1.165 211 A HN 0.409 nan 8.150 nan 0.000 0.513 212 S N 2.457 118.006 115.700 -0.253 0.000 2.500 212 S HA 0.689 5.158 4.470 -0.000 0.000 0.301 212 S C -1.116 173.603 174.600 0.199 0.000 1.092 212 S CA -0.508 57.704 58.200 0.020 0.000 1.030 212 S CB 1.001 64.201 63.200 0.000 0.000 1.031 212 S HN 1.169 nan 8.310 nan 0.000 0.483 213 L N 5.637 126.934 121.223 0.124 0.000 2.356 213 L HA 0.774 5.113 4.340 -0.000 0.000 0.277 213 L C -1.475 175.318 176.870 -0.128 0.000 0.996 213 L CA -0.403 54.418 54.840 -0.032 0.000 0.822 213 L CB 1.772 43.651 42.059 -0.301 0.000 1.256 213 L HN 0.503 nan 8.230 nan 0.000 0.413 214 V N 5.295 125.144 119.914 -0.108 0.000 2.409 214 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 214 V C -1.007 174.851 176.094 -0.394 0.000 1.020 214 V CA -0.458 61.686 62.300 -0.261 0.000 0.848 214 V CB 1.615 33.301 31.823 -0.227 0.000 0.990 214 V HN 0.821 nan 8.190 nan 0.000 0.430 215 W N 6.437 127.296 121.300 -0.734 0.000 2.471 215 W HA 0.599 5.259 4.660 -0.000 0.000 0.318 215 W C -1.902 174.157 176.519 -0.767 0.000 1.034 215 W CA -0.871 56.080 57.345 -0.656 0.000 1.224 215 W CB 1.744 30.897 29.460 -0.512 0.000 1.335 215 W HN 0.445 nan 8.180 nan 0.000 0.452 216 F N 4.347 123.848 119.950 -0.748 0.000 2.385 216 F HA 0.382 4.908 4.527 -0.000 0.000 0.360 216 F C 0.636 175.977 175.800 -0.765 0.000 1.122 216 F CA -0.315 57.276 58.000 -0.683 0.000 1.090 216 F CB 1.651 40.170 39.000 -0.801 0.000 1.150 216 F HN 0.004 nan 8.300 nan 0.000 0.472 217 T N 4.101 118.485 114.554 -0.284 0.000 2.896 217 T HA 0.537 4.887 4.350 -0.000 0.000 0.297 217 T C -2.914 171.793 174.700 0.012 0.000 1.108 217 T CA -2.436 59.549 62.100 -0.192 0.000 1.004 217 T CB 1.787 70.581 68.868 -0.124 0.000 1.159 217 T HN 0.116 nan 8.240 nan 0.000 0.499 218 P HA 0.188 nan 4.420 nan 0.000 0.269 218 P C 0.759 178.135 177.300 0.126 0.000 1.209 218 P CA 0.060 63.217 63.100 0.095 0.000 0.776 218 P CB 0.219 31.982 31.700 0.105 0.000 0.876 219 T N 1.799 116.415 114.554 0.102 0.000 2.759 219 T HA -0.193 4.156 4.350 -0.000 0.000 0.269 219 T C 1.604 176.377 174.700 0.122 0.000 1.042 219 T CA 1.673 63.839 62.100 0.109 0.000 1.140 219 T CB -0.404 68.513 68.868 0.083 0.000 0.864 219 T HN 0.580 nan 8.240 nan 0.000 0.455 220 R N 0.337 120.903 120.500 0.110 0.000 2.285 220 R HA 0.054 4.394 4.340 -0.000 0.000 0.213 220 R C 1.736 178.107 176.300 0.118 0.000 1.068 220 R CA 1.278 57.437 56.100 0.099 0.000 1.004 220 R CB -0.242 30.105 30.300 0.078 0.000 0.873 220 R HN 0.114 nan 8.270 nan 0.000 0.467 221 T N -0.001 114.660 114.554 0.178 0.000 3.040 221 T HA 0.083 4.432 4.350 -0.000 0.000 0.266 221 T C 1.395 176.297 174.700 0.337 0.000 1.005 221 T CA 0.400 62.625 62.100 0.207 0.000 0.906 221 T CB 0.295 69.313 68.868 0.249 0.000 1.082 221 T HN 0.501 nan 8.240 nan 0.000 0.531 222 S N 0.268 116.159 115.700 0.318 0.000 2.368 222 S HA -0.091 4.378 4.470 -0.000 0.000 0.225 222 S C 2.198 176.993 174.600 0.324 0.000 1.030 222 S CA 1.567 59.984 58.200 0.363 0.000 0.999 222 S CB -0.553 62.796 63.200 0.247 0.000 0.844 222 S HN 0.318 nan 8.310 nan 0.000 0.459 223 S N 2.021 117.850 115.700 0.216 0.000 2.356 223 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 223 S C 2.178 176.881 174.600 0.171 0.000 1.032 223 S CA 1.545 59.850 58.200 0.176 0.000 1.005 223 S CB -0.493 62.777 63.200 0.118 0.000 0.867 223 S HN 0.675 nan 8.310 nan 0.000 0.449 224 Q N -0.476 119.392 119.800 0.114 0.000 2.084 224 Q HA -0.119 4.220 4.340 -0.000 0.000 0.202 224 Q C 1.894 177.928 176.000 0.057 0.000 0.978 224 Q CA 1.586 57.405 55.803 0.026 0.000 0.844 224 Q CB -0.238 28.417 28.738 -0.139 0.000 0.898 224 Q HN 0.641 nan 8.270 nan 0.000 0.426 225 W N 0.256 121.687 121.300 0.219 0.000 2.388 225 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 225 W C 1.967 178.690 176.519 0.340 0.000 1.212 225 W CA 0.053 57.557 57.345 0.266 0.000 1.271 225 W CB -0.171 29.575 29.460 0.476 0.000 1.126 225 W HN 0.196 nan 8.180 nan 0.000 0.535 226 L N 0.785 122.319 121.223 0.519 0.000 2.012 226 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 226 L C 1.724 178.771 176.870 0.295 0.000 1.073 226 L CA 2.150 57.217 54.840 0.379 0.000 0.748 226 L CB -1.039 41.173 42.059 0.256 0.000 0.891 226 L HN -0.138 nan 8.230 nan 0.000 0.431 227 D N -1.122 119.421 120.400 0.238 0.000 2.144 227 D HA -0.215 4.425 4.640 -0.000 0.000 0.200 227 D C 2.017 178.398 176.300 0.135 0.000 0.978 227 D CA 1.444 55.552 54.000 0.180 0.000 0.833 227 D CB -0.285 40.635 40.800 0.199 0.000 0.961 227 D HN 0.441 nan 8.370 nan 0.000 0.470 228 F N -0.105 119.840 119.950 -0.008 0.000 2.102 228 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 228 F C 1.993 177.693 175.800 -0.166 0.000 1.105 228 F CA 1.506 59.416 58.000 -0.152 0.000 1.239 228 F CB -0.467 38.342 39.000 -0.319 0.000 0.991 228 F HN -0.051 nan 8.300 nan 0.000 0.474 229 W N -0.102 121.317 121.300 0.198 0.000 2.436 229 W HA -0.093 4.567 4.660 -0.000 0.000 0.284 229 W C 2.201 178.676 176.519 -0.073 0.000 1.225 229 W CA 0.571 57.933 57.345 0.027 0.000 1.271 229 W CB -0.551 28.937 29.460 0.048 0.000 1.114 229 W HN 0.135 nan 8.180 nan 0.000 0.559 230 L N 1.214 122.530 121.223 0.155 0.000 1.989 230 L HA -0.178 4.161 4.340 -0.000 0.000 0.211 230 L C 2.527 179.364 176.870 -0.055 0.000 1.071 230 L CA 2.016 56.892 54.840 0.059 0.000 0.749 230 L CB -0.987 41.100 42.059 0.047 0.000 0.890 230 L HN -0.134 nan 8.230 nan 0.000 0.431 231 R N -1.383 118.989 120.500 -0.213 0.000 2.081 231 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 231 R C 2.439 178.404 176.300 -0.559 0.000 1.131 231 R CA 1.877 57.725 56.100 -0.419 0.000 0.960 231 R CB -0.757 29.169 30.300 -0.623 0.000 0.856 231 R HN 0.675 nan 8.270 nan 0.000 0.436 232 H N 0.043 118.660 119.070 -0.754 0.000 2.290 232 H HA -0.005 4.551 4.556 -0.000 0.000 0.298 232 H C 1.729 176.971 175.328 -0.143 0.000 1.087 232 H CA 2.077 57.816 56.048 -0.516 0.000 1.291 232 H CB 0.153 29.575 29.762 -0.567 0.000 1.369 232 H HN 0.019 nan 8.280 nan 0.000 0.492 233 R N -0.077 120.417 120.500 -0.010 0.000 2.075 233 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 233 R C 2.422 178.855 176.300 0.221 0.000 1.126 233 R CA 1.016 57.159 56.100 0.072 0.000 0.963 233 R CB -1.115 29.285 30.300 0.167 0.000 0.858 233 R HN 0.354 nan 8.270 nan 0.000 0.435 234 L N 1.193 122.503 121.223 0.144 0.000 2.046 234 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 234 L C 2.138 179.071 176.870 0.105 0.000 1.077 234 L CA 1.570 56.522 54.840 0.185 0.000 0.747 234 L CB -0.541 41.564 42.059 0.077 0.000 0.896 234 L HN 0.084 nan 8.230 nan 0.000 0.432 235 L N -2.219 118.976 121.223 -0.046 0.000 2.141 235 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 235 L C 2.356 179.130 176.870 -0.160 0.000 1.094 235 L CA 1.417 56.185 54.840 -0.120 0.000 0.763 235 L CB -0.668 41.282 42.059 -0.182 0.000 0.908 235 L HN 0.521 nan 8.230 nan 0.000 0.437 236 W N 0.250 121.342 121.300 -0.347 0.000 2.379 236 W HA -0.207 4.453 4.660 -0.001 0.000 0.307 236 W C 2.113 178.428 176.519 -0.340 0.000 1.200 236 W CA 1.249 58.339 57.345 -0.426 0.000 1.297 236 W CB -0.436 28.739 29.460 -0.476 0.000 1.140 236 W HN 0.034 nan 8.180 nan 0.000 0.507 237 W N 0.258 121.592 121.300 0.057 0.000 2.358 237 W HA -0.102 4.557 4.660 -0.000 0.000 0.303 237 W C 2.551 178.683 176.519 -0.644 0.000 1.208 237 W CA 1.537 58.691 57.345 -0.319 0.000 1.274 237 W CB -0.771 28.432 29.460 -0.428 0.000 1.138 237 W HN -0.267 nan 8.180 nan 0.000 0.515 238 R N 0.931 121.291 120.500 -0.234 0.000 2.148 238 R HA -0.121 4.219 4.340 -0.000 0.000 0.227 238 R C 2.140 178.301 176.300 -0.231 0.000 1.103 238 R CA 1.539 57.527 56.100 -0.185 0.000 0.983 238 R CB -0.445 29.822 30.300 -0.056 0.000 0.874 238 R HN 0.291 nan 8.270 nan 0.000 0.451 239 K N -0.126 120.001 120.400 -0.456 0.000 2.283 239 K HA -0.088 4.231 4.320 -0.000 0.000 0.202 239 K C 0.784 176.974 176.600 -0.683 0.000 1.048 239 K CA 1.259 57.186 56.287 -0.600 0.000 0.948 239 K CB 0.014 32.024 32.500 -0.817 0.000 0.742 239 K HN 0.097 nan 8.250 nan 0.000 0.458 240 F N 1.371 121.066 119.950 -0.424 0.000 2.727 240 F HA 0.352 4.878 4.527 -0.000 0.000 0.302 240 F C 1.270 177.055 175.800 -0.024 0.000 1.097 240 F CA -0.520 57.202 58.000 -0.464 0.000 1.330 240 F CB 0.134 38.623 39.000 -0.851 0.000 1.084 240 F HN 0.063 nan 8.300 nan 0.000 0.578 244 P HA -0.126 nan 4.420 nan 0.000 0.221 244 P C 1.468 178.896 177.300 0.212 0.000 1.145 244 P CA 1.203 64.457 63.100 0.257 0.000 0.795 244 P CB -0.153 31.621 31.700 0.123 0.000 0.775 245 S N -1.259 114.499 115.700 0.097 0.000 2.515 245 S HA -0.029 4.441 4.470 -0.000 0.000 0.231 245 S C 1.622 176.204 174.600 -0.030 0.000 0.987 245 S CA 0.448 58.668 58.200 0.033 0.000 0.936 245 S CB -1.022 62.175 63.200 -0.004 0.000 0.766 245 S HN 0.045 nan 8.310 nan 0.000 0.528 246 N N 0.723 119.383 118.700 -0.066 0.000 2.467 246 N HA 0.227 4.967 4.740 -0.000 0.000 0.184 246 N C -0.917 174.320 175.510 -0.454 0.000 1.106 246 N CA 0.265 53.113 53.050 -0.336 0.000 0.892 246 N CB -0.190 38.006 38.487 -0.486 0.000 0.969 246 N HN 0.445 nan 8.380 nan 0.000 0.454 247 F N 0.521 120.440 119.950 -0.051 0.000 2.404 247 F HA 0.350 4.876 4.527 -0.000 0.000 0.354 247 F C 0.784 176.567 175.800 -0.028 0.000 1.122 247 F CA -0.752 57.230 58.000 -0.029 0.000 1.080 247 F CB 1.235 40.258 39.000 0.038 0.000 1.131 247 F HN -0.210 nan 8.300 nan 0.000 0.471 248 S N 1.129 116.898 115.700 0.116 0.000 2.697 248 S HA 0.898 5.367 4.470 -0.000 0.000 0.289 248 S C -0.698 173.989 174.600 0.145 0.000 1.149 248 S CA -0.780 57.476 58.200 0.094 0.000 0.850 248 S CB 1.748 64.961 63.200 0.020 0.000 1.151 248 S HN 0.576 nan 8.310 nan 0.000 0.491 249 S N -0.180 115.594 115.700 0.125 0.000 2.634 249 S HA 0.950 5.420 4.470 -0.000 0.000 0.296 249 S C -0.668 174.024 174.600 0.153 0.000 1.104 249 S CA -0.679 57.607 58.200 0.143 0.000 0.920 249 S CB 1.369 64.611 63.200 0.069 0.000 1.111 249 S HN 1.914 nan 8.310 nan 0.000 0.493 250 A N 1.057 123.983 122.820 0.178 0.000 2.455 250 A HA 0.694 5.014 4.320 -0.000 0.000 0.300 250 A C -1.481 176.138 177.584 0.059 0.000 1.040 250 A CA -0.793 51.319 52.037 0.126 0.000 0.697 250 A CB 1.056 20.163 19.000 0.178 0.000 1.265 250 A HN 0.750 nan 8.150 nan 0.000 0.407 251 D N 0.575 120.990 120.400 0.026 0.000 2.313 251 D HA 0.593 5.233 4.640 -0.000 0.000 0.247 251 D C 0.263 176.562 176.300 -0.002 0.000 1.094 251 D CA 0.314 54.309 54.000 -0.008 0.000 0.925 251 D CB 1.310 42.114 40.800 0.007 0.000 1.188 251 D HN 0.919 nan 8.370 nan 0.000 0.430 252 C N -0.222 119.056 119.300 -0.036 0.000 3.332 252 C HA 0.834 5.294 4.460 -0.000 0.000 0.329 252 C C -1.543 173.503 174.990 0.093 0.000 1.434 252 C CA -0.872 58.161 59.018 0.025 0.000 1.314 252 C CB 1.326 29.078 27.740 0.020 0.000 1.664 252 C HN 0.750 nan 8.230 nan 0.000 0.457 253 Q N 0.630 120.565 119.800 0.225 0.000 2.418 253 Q HA 0.695 5.034 4.340 -0.000 0.000 0.282 253 Q C -1.695 174.519 176.000 0.357 0.000 1.044 253 Q CA -0.341 55.657 55.803 0.326 0.000 0.813 253 Q CB 2.153 31.005 28.738 0.191 0.000 1.428 253 Q HN 0.842 nan 8.270 nan 0.000 0.402 254 D N 0.237 120.810 120.400 0.289 0.000 2.487 254 D HA 0.116 4.756 4.640 -0.000 0.000 0.262 254 D C 0.510 176.826 176.300 0.026 0.000 1.130 254 D CA -0.316 53.719 54.000 0.057 0.000 1.038 254 D CB 0.670 41.293 40.800 -0.296 0.000 1.142 254 D HN 0.749 nan 8.370 nan 0.000 0.575 255 E N -0.445 119.739 120.200 -0.025 0.000 2.136 255 E HA -0.202 4.148 4.350 -0.000 0.000 0.202 255 E C 1.585 178.184 176.600 -0.002 0.000 1.019 255 E CA 1.269 57.661 56.400 -0.013 0.000 0.819 255 E CB -0.406 29.273 29.700 -0.035 0.000 0.739 255 E HN 0.424 nan 8.360 nan 0.000 0.458 256 L N -0.212 121.002 121.223 -0.014 0.000 2.629 256 L HA 0.240 4.579 4.340 -0.000 0.000 0.230 256 L C 1.304 178.192 176.870 0.029 0.000 1.151 256 L CA 0.238 55.079 54.840 0.002 0.000 0.924 256 L CB 0.063 42.113 42.059 -0.015 0.000 1.137 256 L HN 0.339 nan 8.230 nan 0.000 0.457 257 G N 0.540 109.371 108.800 0.051 0.000 2.159 257 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.256 257 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.256 257 G C 0.363 175.327 174.900 0.107 0.000 0.977 257 G CA -0.255 44.890 45.100 0.075 0.000 0.652 257 G HN 0.410 nan 8.290 nan 0.000 0.531 258 R N 0.496 121.068 120.500 0.119 0.000 2.438 258 R HA 0.400 4.739 4.340 -0.000 0.000 0.287 258 R C 0.226 176.710 176.300 0.307 0.000 1.077 258 R CA -0.317 55.890 56.100 0.178 0.000 1.034 258 R CB 0.618 31.001 30.300 0.138 0.000 0.993 258 R HN 0.031 nan 8.270 nan 0.000 0.459 259 K N 1.257 121.815 120.400 0.263 0.000 2.154 259 K HA 0.485 4.804 4.320 -0.000 0.000 0.264 259 K C 0.384 177.118 176.600 0.223 0.000 1.008 259 K CA -0.425 55.998 56.287 0.226 0.000 0.937 259 K CB 1.594 34.176 32.500 0.136 0.000 1.002 259 K HN 0.861 nan 8.250 nan 0.000 0.469 260 G N -0.439 108.316 108.800 -0.075 0.000 2.649 260 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 260 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 260 G C -1.367 173.268 174.900 -0.442 0.000 1.426 260 G CA -0.483 44.295 45.100 -0.537 0.000 0.794 260 G HN 0.396 nan 8.290 nan 0.000 0.483 261 S N -0.709 114.712 115.700 -0.467 0.000 2.569 261 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 261 S C -0.831 173.571 174.600 -0.331 0.000 1.111 261 S CA -0.801 57.233 58.200 -0.278 0.000 0.887 261 S CB 2.239 65.367 63.200 -0.120 0.000 1.095 261 S HN 0.560 nan 8.310 nan 0.000 0.476 262 K N 1.390 121.654 120.400 -0.227 0.000 2.371 262 K HA 0.613 4.932 4.320 -0.000 0.000 0.251 262 K C -1.333 175.063 176.600 -0.339 0.000 0.934 262 K CA -0.624 55.466 56.287 -0.329 0.000 0.798 262 K CB 1.740 33.993 32.500 -0.412 0.000 1.204 262 K HN 0.430 nan 8.250 nan 0.000 0.427 263 L N 2.876 123.868 121.223 -0.386 0.000 2.325 263 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 263 L C -1.016 175.556 176.870 -0.497 0.000 1.023 263 L CA -0.990 53.693 54.840 -0.262 0.000 0.811 263 L CB 0.661 42.660 42.059 -0.099 0.000 1.249 263 L HN 0.529 nan 8.230 nan 0.000 0.431 264 Y N 0.833 121.071 120.300 -0.104 0.000 2.499 264 Y HA 0.431 4.980 4.550 -0.000 0.000 0.347 264 Y C -0.761 174.996 175.900 -0.238 0.000 0.987 264 Y CA -0.687 57.326 58.100 -0.144 0.000 1.044 264 Y CB 2.099 40.476 38.460 -0.138 0.000 1.245 264 Y HN 0.335 nan 8.280 nan 0.000 0.461 265 Y N 0.550 120.653 120.300 -0.328 0.000 2.364 265 Y HA 0.487 5.036 4.550 -0.001 0.000 0.340 265 Y C -0.307 175.189 175.900 -0.673 0.000 0.975 265 Y CA -1.053 56.581 58.100 -0.777 0.000 1.089 265 Y CB 1.656 39.397 38.460 -1.199 0.000 1.192 265 Y HN 0.547 nan 8.280 nan 0.000 0.454 266 S N 7.448 122.229 115.700 -1.531 0.000 3.072 266 S HA 0.238 4.708 4.470 -0.000 0.000 0.306 266 S C -0.489 173.303 174.600 -1.346 0.000 1.207 266 S CA -0.341 57.190 58.200 -1.115 0.000 1.008 266 S CB -1.105 61.612 63.200 -0.805 0.000 1.390 266 S HN 0.464 nan 8.310 nan 0.000 0.523 267 F N 2.831 122.167 119.950 -1.023 0.000 2.435 267 F HA 0.231 4.758 4.527 -0.000 0.000 0.316 267 F C -0.980 174.203 175.800 -1.027 0.000 1.220 267 F CA -1.808 55.496 58.000 -1.159 0.000 1.241 267 F CB -0.184 37.657 39.000 -1.931 0.000 1.234 267 F HN 0.287 nan 8.300 nan 0.000 0.569 268 P HA -0.165 nan 4.420 nan 0.000 0.221 268 P C 0.543 177.777 177.300 -0.110 0.000 1.145 268 P CA 1.506 64.461 63.100 -0.242 0.000 0.795 268 P CB -0.198 31.511 31.700 0.016 0.000 0.775 269 W N -1.459 119.813 121.300 -0.046 0.000 3.239 269 W HA 0.626 5.286 4.660 -0.000 0.000 0.348 269 W C 0.304 176.801 176.519 -0.037 0.000 1.183 269 W CA 0.204 57.524 57.345 -0.042 0.000 1.819 269 W CB -0.139 29.288 29.460 -0.055 0.000 1.091 269 W HN 0.016 nan 8.180 nan 0.000 0.629 270 G N 0.879 109.468 108.800 -0.352 0.000 2.347 270 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.477 270 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.477 270 G C -1.140 173.595 174.900 -0.276 0.000 1.349 270 G CA -1.445 43.523 45.100 -0.220 0.000 1.000 270 G HN 0.072 nan 8.290 nan 0.000 0.605 271 K N 0.865 121.154 120.400 -0.185 0.000 2.368 271 K HA 0.400 4.720 4.320 -0.000 0.000 0.282 271 K C -0.316 176.345 176.600 0.101 0.000 1.035 271 K CA 0.061 56.270 56.287 -0.131 0.000 0.973 271 K CB 0.740 33.089 32.500 -0.252 0.000 0.957 271 K HN 0.401 nan 8.250 nan 0.000 0.474 272 E N 3.521 123.868 120.200 0.245 0.000 2.222 272 E HA 0.282 4.632 4.350 -0.000 0.000 0.267 272 E C -2.569 174.195 176.600 0.273 0.000 0.884 272 E CA -2.426 54.173 56.400 0.333 0.000 0.764 272 E CB 1.791 31.737 29.700 0.410 0.000 1.169 272 E HN 0.322 nan 8.360 nan 0.000 0.413 273 P HA 0.182 nan 4.420 nan 0.000 0.276 273 P C 0.733 177.968 177.300 -0.109 0.000 1.253 273 P CA 0.019 62.980 63.100 -0.233 0.000 0.766 273 P CB 0.308 31.881 31.700 -0.212 0.000 0.845 274 I N -0.146 120.310 120.570 -0.190 0.000 4.057 274 I HA 0.418 4.588 4.170 -0.000 0.000 0.334 274 I C 0.276 176.372 176.117 -0.035 0.000 1.308 274 I CA 0.141 61.363 61.300 -0.130 0.000 1.125 274 I CB 0.348 38.119 38.000 -0.381 0.000 1.034 274 I HN 0.217 nan 8.210 nan 0.000 0.401 275 E N 1.399 121.549 120.200 -0.083 0.000 2.380 275 E HA 0.417 4.767 4.350 -0.000 0.000 0.281 275 E C -1.139 175.416 176.600 -0.074 0.000 0.999 275 E CA -0.571 55.849 56.400 0.034 0.000 0.800 275 E CB 1.935 31.767 29.700 0.219 0.000 1.228 275 E HN 0.264 nan 8.360 nan 0.000 0.436 276 T N 0.941 115.472 114.554 -0.038 0.000 2.886 276 T HA 0.709 5.058 4.350 -0.000 0.000 0.292 276 T C -1.153 173.465 174.700 -0.138 0.000 1.012 276 T CA -0.760 61.258 62.100 -0.136 0.000 0.982 276 T CB 0.846 69.700 68.868 -0.023 0.000 1.018 276 T HN 0.222 nan 8.240 nan 0.000 0.451 277 L N 2.701 123.743 121.223 -0.303 0.000 2.356 277 L HA 0.709 5.049 4.340 -0.000 0.000 0.277 277 L C -1.166 175.479 176.870 -0.375 0.000 0.996 277 L CA -0.387 54.334 54.840 -0.198 0.000 0.822 277 L CB 1.784 43.786 42.059 -0.095 0.000 1.256 277 L HN 0.766 nan 8.230 nan 0.000 0.413 278 W N 2.122 123.439 121.300 0.029 0.000 2.839 278 W HA 0.409 5.069 4.660 -0.001 0.000 0.334 278 W C 0.039 176.583 176.519 0.041 0.000 1.064 278 W CA -0.544 56.822 57.345 0.033 0.000 1.236 278 W CB 1.642 31.109 29.460 0.013 0.000 1.405 278 W HN 0.337 nan 8.180 nan 0.000 0.478 279 N N 3.684 122.590 118.700 0.344 0.000 2.482 279 N HA 0.153 4.893 4.740 -0.000 0.000 0.242 279 N C 0.297 175.938 175.510 0.218 0.000 1.100 279 N CA 0.155 53.349 53.050 0.241 0.000 0.946 279 N CB 0.605 39.221 38.487 0.214 0.000 1.227 279 N HN 0.583 nan 8.380 nan 0.000 0.508 280 L N 2.250 123.563 121.223 0.151 0.000 2.395 280 L HA 0.199 4.538 4.340 -0.000 0.000 0.218 280 L C 1.585 178.489 176.870 0.057 0.000 1.130 280 L CA 0.461 55.349 54.840 0.079 0.000 0.826 280 L CB -0.803 41.271 42.059 0.025 0.000 0.941 280 L HN 0.728 nan 8.230 nan 0.000 0.451 281 G N 1.631 110.474 108.800 0.071 0.000 2.562 281 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.250 281 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.250 281 G C 0.097 175.023 174.900 0.043 0.000 1.269 281 G CA 0.266 45.402 45.100 0.060 0.000 0.919 281 G HN 0.449 nan 8.290 nan 0.000 0.574 282 D N -0.775 119.650 120.400 0.041 0.000 2.433 282 D HA 0.136 4.776 4.640 -0.000 0.000 0.211 282 D C 1.886 178.214 176.300 0.047 0.000 1.114 282 D CA 0.966 54.989 54.000 0.038 0.000 0.837 282 D CB -0.185 40.636 40.800 0.035 0.000 0.984 282 D HN 0.659 nan 8.370 nan 0.000 0.505 283 Q N 0.523 120.349 119.800 0.044 0.000 2.045 283 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 283 Q C 1.462 177.508 176.000 0.076 0.000 0.991 283 Q CA 2.044 57.879 55.803 0.054 0.000 0.851 283 Q CB -0.023 28.732 28.738 0.029 0.000 0.911 283 Q HN 0.296 nan 8.270 nan 0.000 0.418 284 E N 0.317 120.551 120.200 0.056 0.000 2.106 284 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 284 E C 1.699 178.382 176.600 0.138 0.000 0.984 284 E CA 0.655 57.103 56.400 0.081 0.000 0.806 284 E CB -0.126 29.609 29.700 0.058 0.000 0.750 284 E HN 0.153 nan 8.360 nan 0.000 0.458 285 L N 0.297 121.588 121.223 0.113 0.000 2.056 285 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 285 L C 1.815 178.800 176.870 0.191 0.000 1.078 285 L CA 1.530 56.451 54.840 0.134 0.000 0.749 285 L CB -0.351 41.716 42.059 0.014 0.000 0.901 285 L HN 0.154 nan 8.230 nan 0.000 0.433 286 L N -1.166 120.142 121.223 0.141 0.000 2.083 286 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 286 L C 2.506 179.479 176.870 0.171 0.000 1.083 286 L CA 1.560 56.487 54.840 0.147 0.000 0.752 286 L CB -0.671 41.448 42.059 0.101 0.000 0.899 286 L HN 0.455 nan 8.230 nan 0.000 0.433 287 H N -0.694 118.412 119.070 0.059 0.000 2.524 287 H HA -0.092 4.464 4.556 -0.000 0.000 0.282 287 H C 1.939 177.260 175.328 -0.012 0.000 1.016 287 H CA 1.411 57.474 56.048 0.025 0.000 1.270 287 H CB 0.286 30.058 29.762 0.017 0.000 1.394 287 H HN 0.133 nan 8.280 nan 0.000 0.568 288 T N -0.517 114.109 114.554 0.119 0.000 3.023 288 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 288 T C -0.503 173.914 174.700 -0.472 0.000 1.093 288 T CA 0.748 62.757 62.100 -0.153 0.000 1.129 288 T CB -0.040 68.713 68.868 -0.191 0.000 0.899 288 T HN 0.306 nan 8.240 nan 0.000 0.491 289 Y N 1.881 122.200 120.300 0.032 0.000 2.662 289 Y HA 0.326 4.876 4.550 -0.000 0.000 0.358 289 Y C -2.673 173.221 175.900 -0.010 0.000 1.041 289 Y CA -3.143 54.966 58.100 0.014 0.000 1.184 289 Y CB 0.984 39.468 38.460 0.038 0.000 1.114 289 Y HN -0.017 nan 8.280 nan 0.000 0.650 290 P HA 0.254 nan 4.420 nan 0.000 0.286 290 P C 0.841 178.156 177.300 0.025 0.000 1.269 290 P CA 0.359 63.458 63.100 -0.003 0.000 0.787 290 P CB 1.769 33.415 31.700 -0.091 0.000 0.920 291 G N 3.462 112.280 108.800 0.030 0.000 2.157 291 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.248 291 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.248 291 G C 0.432 175.356 174.900 0.041 0.000 0.979 291 G CA -0.004 45.112 45.100 0.026 0.000 0.650 291 G HN 0.639 nan 8.290 nan 0.000 0.529 292 N N -0.937 117.804 118.700 0.070 0.000 2.240 292 N HA 0.267 5.006 4.740 -0.000 0.000 0.240 292 N C 1.637 177.172 175.510 0.043 0.000 1.277 292 N CA 0.143 53.232 53.050 0.064 0.000 0.873 292 N CB 0.913 39.466 38.487 0.110 0.000 1.222 292 N HN 0.136 nan 8.380 nan 0.000 0.507 293 V N 0.113 120.055 119.914 0.046 0.000 2.490 293 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 293 V C 2.056 178.157 176.094 0.012 0.000 1.061 293 V CA 1.670 63.991 62.300 0.034 0.000 1.064 293 V CB -0.213 31.634 31.823 0.041 0.000 0.670 293 V HN 0.305 nan 8.190 nan 0.000 0.461 294 S N 0.131 115.835 115.700 0.008 0.000 2.423 294 S HA -0.123 4.346 4.470 -0.000 0.000 0.231 294 S C 1.758 176.349 174.600 -0.013 0.000 1.014 294 S CA 1.677 59.877 58.200 -0.000 0.000 0.965 294 S CB -0.213 62.987 63.200 0.000 0.000 0.785 294 S HN 0.867 nan 8.310 nan 0.000 0.495 295 T N -0.551 113.988 114.554 -0.026 0.000 3.215 295 T HA 0.364 4.714 4.350 -0.000 0.000 0.271 295 T C 0.794 175.442 174.700 -0.086 0.000 1.012 295 T CA -0.402 61.668 62.100 -0.050 0.000 0.899 295 T CB -0.579 68.259 68.868 -0.049 0.000 1.089 295 T HN 0.525 nan 8.240 nan 0.000 0.552 296 I N -2.215 118.313 120.570 -0.069 0.000 3.974 296 I HA 0.442 4.611 4.170 -0.000 0.000 0.334 296 I C 0.030 176.182 176.117 0.058 0.000 1.437 296 I CA -0.914 60.352 61.300 -0.056 0.000 1.113 296 I CB -0.029 37.889 38.000 -0.137 0.000 1.063 296 I HN -0.016 nan 8.210 nan 0.000 0.400 297 Q N 2.355 122.164 119.800 0.014 0.000 2.314 297 Q HA 0.518 4.858 4.340 -0.000 0.000 0.258 297 Q C 0.491 176.510 176.000 0.032 0.000 0.954 297 Q CA -0.080 55.744 55.803 0.035 0.000 0.890 297 Q CB 1.723 30.470 28.738 0.014 0.000 1.210 297 Q HN 0.569 nan 8.270 nan 0.000 0.410 298 G N 1.681 110.523 108.800 0.070 0.000 2.531 298 G HA2 0.533 4.493 3.960 -0.000 0.000 0.313 298 G HA3 0.533 4.493 3.960 -0.000 0.000 0.313 298 G C -0.839 174.084 174.900 0.039 0.000 1.238 298 G CA -0.782 44.354 45.100 0.060 0.000 0.994 298 G HN 0.502 nan 8.290 nan 0.000 0.493 299 R N 0.026 120.546 120.500 0.033 0.000 2.338 299 R HA 0.329 4.669 4.340 -0.000 0.000 0.317 299 R C -1.304 175.020 176.300 0.040 0.000 0.968 299 R CA -0.590 55.526 56.100 0.026 0.000 0.849 299 R CB 1.757 32.063 30.300 0.011 0.000 1.128 299 R HN 0.438 nan 8.270 nan 0.000 0.448 300 D N 2.811 123.236 120.400 0.042 0.000 2.479 300 D HA 0.285 4.924 4.640 -0.000 0.000 0.247 300 D C 0.964 177.290 176.300 0.044 0.000 1.119 300 D CA 0.512 54.543 54.000 0.052 0.000 0.922 300 D CB 0.592 41.428 40.800 0.059 0.000 1.014 300 D HN 0.672 nan 8.370 nan 0.000 0.510 301 G N 4.734 113.559 108.800 0.041 0.000 2.687 301 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.303 301 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.303 301 G C 0.979 175.892 174.900 0.023 0.000 1.209 301 G CA 0.631 45.750 45.100 0.032 0.000 0.968 301 G HN 0.624 nan 8.290 nan 0.000 0.549 302 R N 0.596 121.109 120.500 0.021 0.000 2.308 302 R HA 0.485 4.825 4.340 -0.000 0.000 0.202 302 R C 0.898 177.207 176.300 0.016 0.000 0.898 302 R CA 0.405 56.514 56.100 0.015 0.000 1.046 302 R CB 0.220 30.528 30.300 0.014 0.000 1.026 302 R HN 0.405 nan 8.270 nan 0.000 0.512 303 K N 1.540 121.953 120.400 0.021 0.000 2.118 303 K HA 0.239 4.559 4.320 -0.000 0.000 0.267 303 K C -0.783 175.831 176.600 0.022 0.000 0.991 303 K CA -0.760 55.540 56.287 0.022 0.000 0.916 303 K CB 0.913 33.430 32.500 0.028 0.000 1.041 303 K HN 0.013 nan 8.250 nan 0.000 0.455 304 N N 1.894 120.606 118.700 0.019 0.000 2.425 304 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 304 N C -0.858 174.667 175.510 0.025 0.000 0.991 304 N CA -0.387 52.675 53.050 0.019 0.000 0.931 304 N CB 1.589 40.082 38.487 0.010 0.000 1.130 304 N HN 0.340 nan 8.380 nan 0.000 0.493 305 V N -0.964 118.970 119.914 0.034 0.000 3.078 305 V HA 0.580 4.700 4.120 -0.000 0.000 0.311 305 V C -0.106 176.013 176.094 0.042 0.000 1.138 305 V CA -0.998 61.325 62.300 0.037 0.000 1.007 305 V CB 1.676 33.526 31.823 0.044 0.000 1.045 305 V HN 0.169 nan 8.190 nan 0.000 0.432 306 V N 4.310 124.246 119.914 0.036 0.000 2.455 306 V HA 0.367 4.487 4.120 -0.000 0.000 0.273 306 V C -1.698 174.413 176.094 0.029 0.000 1.045 306 V CA -0.964 61.352 62.300 0.028 0.000 0.976 306 V CB 1.059 32.893 31.823 0.019 0.000 0.993 306 V HN 0.950 nan 8.190 nan 0.000 0.475 307 P HA 0.144 nan 4.420 nan 0.000 0.274 307 P C -0.247 177.076 177.300 0.038 0.000 1.237 307 P CA -0.406 62.717 63.100 0.039 0.000 0.793 307 P CB 0.865 32.602 31.700 0.060 0.000 0.977 308 C N 1.925 121.255 119.300 0.049 0.000 2.539 308 C HA 0.344 4.804 4.460 -0.000 0.000 0.392 308 C C 0.076 175.075 174.990 0.016 0.000 1.269 308 C CA -0.132 58.917 59.018 0.051 0.000 2.250 308 C CB -0.453 27.338 27.740 0.085 0.000 2.584 308 C HN 0.329 nan 8.230 nan 0.000 0.589 309 V N 7.299 127.208 119.914 -0.009 0.000 2.384 309 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 309 V C -0.028 176.023 176.094 -0.071 0.000 1.020 309 V CA -0.243 61.975 62.300 -0.136 0.000 0.850 309 V CB 1.191 32.939 31.823 -0.124 0.000 0.987 309 V HN 0.717 nan 8.190 nan 0.000 0.436 310 L N 3.833 125.002 121.223 -0.090 0.000 2.295 310 L HA 0.580 4.920 4.340 -0.000 0.000 0.285 310 L C 0.254 177.083 176.870 -0.069 0.000 1.035 310 L CA -0.068 54.788 54.840 0.027 0.000 0.806 310 L CB 1.781 43.943 42.059 0.172 0.000 1.214 310 L HN 0.635 nan 8.230 nan 0.000 0.426 311 S N 2.928 118.631 115.700 0.004 0.000 2.530 311 S HA 0.609 5.079 4.470 -0.000 0.000 0.322 311 S C -0.702 173.903 174.600 0.008 0.000 1.085 311 S CA -0.514 57.677 58.200 -0.015 0.000 1.096 311 S CB 1.069 64.293 63.200 0.040 0.000 0.988 311 S HN 0.298 nan 8.310 nan 0.000 0.466 312 V N 4.507 124.383 119.914 -0.064 0.000 2.384 312 V HA 0.708 4.828 4.120 -0.000 0.000 0.287 312 V C -0.072 176.034 176.094 0.019 0.000 1.020 312 V CA -0.600 61.670 62.300 -0.050 0.000 0.850 312 V CB 1.481 33.194 31.823 -0.183 0.000 0.987 312 V HN 0.827 nan 8.190 nan 0.000 0.436 313 S N 3.791 119.524 115.700 0.055 0.000 2.736 313 S HA 0.738 5.208 4.470 -0.000 0.000 0.285 313 S C -0.206 174.442 174.600 0.080 0.000 1.163 313 S CA -0.129 58.105 58.200 0.057 0.000 1.025 313 S CB 1.131 64.370 63.200 0.063 0.000 1.030 313 S HN 1.078 nan 8.310 nan 0.000 0.486 314 G N 2.132 110.975 108.800 0.072 0.000 2.379 314 G HA2 0.459 4.418 3.960 -0.000 0.000 0.327 314 G HA3 0.459 4.418 3.960 -0.000 0.000 0.327 314 G C -1.181 173.782 174.900 0.105 0.000 1.145 314 G CA -0.472 44.726 45.100 0.164 0.000 0.905 314 G HN 0.632 nan 8.290 nan 0.000 0.466 315 D N 2.402 122.917 120.400 0.192 0.000 2.428 315 D HA 0.171 4.810 4.640 -0.000 0.000 0.221 315 D C 1.423 177.874 176.300 0.251 0.000 1.123 315 D CA -0.519 53.576 54.000 0.158 0.000 0.869 315 D CB 1.615 42.493 40.800 0.131 0.000 1.032 315 D HN -0.006 nan 8.370 nan 0.000 0.506 316 V N 3.646 123.658 119.914 0.163 0.000 2.515 316 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 316 V C 1.691 177.929 176.094 0.241 0.000 1.058 316 V CA 1.289 63.702 62.300 0.189 0.000 1.064 316 V CB -0.184 31.659 31.823 0.033 0.000 0.675 316 V HN 0.498 nan 8.190 nan 0.000 0.461 317 D N 0.009 120.556 120.400 0.244 0.000 2.103 317 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 317 D C 1.984 178.531 176.300 0.411 0.000 0.978 317 D CA 0.902 55.129 54.000 0.379 0.000 0.829 317 D CB -0.218 40.784 40.800 0.337 0.000 0.981 317 D HN 0.304 nan 8.370 nan 0.000 0.464 318 L N 1.156 122.566 121.223 0.312 0.000 2.131 318 L HA 0.032 4.372 4.340 -0.000 0.000 0.210 318 L C 2.174 179.271 176.870 0.378 0.000 1.092 318 L CA 1.630 56.668 54.840 0.330 0.000 0.759 318 L CB -0.938 41.273 42.059 0.252 0.000 0.903 318 L HN 0.041 nan 8.230 nan 0.000 0.435 319 G N -2.199 106.826 108.800 0.376 0.000 2.408 319 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 319 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 319 G C 1.451 176.618 174.900 0.445 0.000 1.150 319 G CA 1.095 46.473 45.100 0.464 0.000 0.776 319 G HN 0.405 nan 8.290 nan 0.000 0.542 320 T N 1.400 116.193 114.554 0.399 0.000 2.708 320 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 320 T C 2.422 177.332 174.700 0.350 0.000 1.037 320 T CA 0.875 63.157 62.100 0.302 0.000 1.146 320 T CB -0.240 68.630 68.868 0.003 0.000 0.865 320 T HN 0.140 nan 8.240 nan 0.000 0.435 321 L N 0.762 122.261 121.223 0.459 0.000 2.042 321 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 321 L C 3.044 180.225 176.870 0.518 0.000 1.076 321 L CA 1.241 56.399 54.840 0.530 0.000 0.749 321 L CB -0.732 41.668 42.059 0.569 0.000 0.893 321 L HN 0.259 nan 8.230 nan 0.000 0.432 322 A N -0.438 122.520 122.820 0.230 0.000 1.892 322 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 322 A C 2.027 179.270 177.584 -0.568 0.000 1.188 322 A CA 1.812 53.425 52.037 -0.707 0.000 0.631 322 A CB -0.955 17.341 19.000 -1.173 0.000 0.822 322 A HN 0.374 nan 8.150 nan 0.000 0.447 323 Y N -0.023 120.261 120.300 -0.028 0.000 2.293 323 Y HA -0.082 4.467 4.550 -0.000 0.000 0.291 323 Y C 2.205 178.110 175.900 0.008 0.000 1.137 323 Y CA 1.090 59.209 58.100 0.031 0.000 1.202 323 Y CB -0.562 37.939 38.460 0.068 0.000 0.990 323 Y HN 0.191 nan 8.280 nan 0.000 0.537 324 L N -1.810 119.498 121.223 0.142 0.000 1.994 324 L HA -0.281 4.059 4.340 -0.000 0.000 0.208 324 L C 2.116 178.974 176.870 -0.020 0.000 1.071 324 L CA 1.610 56.432 54.840 -0.029 0.000 0.745 324 L CB -0.895 41.108 42.059 -0.093 0.000 0.892 324 L HN 0.172 nan 8.230 nan 0.000 0.431 325 Y N 0.038 120.388 120.300 0.082 0.000 2.207 325 Y HA -0.326 4.224 4.550 -0.001 0.000 0.287 325 Y C 2.413 178.403 175.900 0.150 0.000 1.156 325 Y CA 1.957 60.139 58.100 0.137 0.000 1.182 325 Y CB -0.432 38.153 38.460 0.208 0.000 0.979 325 Y HN 0.322 nan 8.280 nan 0.000 0.521 326 D N -0.746 119.784 120.400 0.218 0.000 2.219 326 D HA -0.145 4.495 4.640 -0.000 0.000 0.205 326 D C 2.003 178.431 176.300 0.214 0.000 0.970 326 D CA 1.329 55.464 54.000 0.224 0.000 0.851 326 D CB -0.106 40.809 40.800 0.191 0.000 0.943 326 D HN 0.273 nan 8.370 nan 0.000 0.488 327 S N -0.991 114.824 115.700 0.191 0.000 2.527 327 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 327 S C 0.580 175.276 174.600 0.160 0.000 0.985 327 S CA -0.633 57.656 58.200 0.148 0.000 0.921 327 S CB -0.467 62.786 63.200 0.088 0.000 0.772 327 S HN 0.224 nan 8.310 nan 0.000 0.529 328 F N 3.749 123.710 119.950 0.018 0.000 2.472 328 F HA 0.457 4.984 4.527 -0.000 0.000 0.364 328 F C 0.157 175.968 175.800 0.019 0.000 1.090 328 F CA -0.956 57.041 58.000 -0.004 0.000 1.188 328 F CB 0.296 39.289 39.000 -0.011 0.000 1.105 328 F HN 0.185 nan 8.300 nan 0.000 0.536 329 Q N 6.061 125.559 119.800 -0.503 0.000 2.423 329 Q HA 0.503 4.843 4.340 -0.000 0.000 0.278 329 Q C -1.182 174.485 176.000 -0.555 0.000 1.097 329 Q CA -1.025 54.498 55.803 -0.467 0.000 0.809 329 Q CB 3.286 31.913 28.738 -0.184 0.000 1.391 329 Q HN 0.653 nan 8.270 nan 0.000 0.428 344 K N 1.629 122.055 120.400 0.043 0.000 2.211 344 K HA 0.573 4.893 4.320 -0.000 0.000 0.275 344 K C -1.062 175.595 176.600 0.094 0.000 1.024 344 K CA -0.905 55.439 56.287 0.094 0.000 0.887 344 K CB 2.303 34.965 32.500 0.271 0.000 1.084 344 K HN 0.361 nan 8.250 nan 0.000 0.463 345 V N 4.887 124.837 119.914 0.059 0.000 2.841 345 V HA 0.416 4.536 4.120 -0.000 0.000 0.310 345 V C -1.547 174.614 176.094 0.112 0.000 1.090 345 V CA -0.944 61.395 62.300 0.066 0.000 0.930 345 V CB 1.638 33.465 31.823 0.008 0.000 1.014 345 V HN 0.659 nan 8.190 nan 0.000 0.425 346 L N 6.514 127.798 121.223 0.102 0.000 2.255 346 L HA 0.539 4.878 4.340 -0.000 0.000 0.289 346 L C 0.271 177.161 176.870 0.033 0.000 1.046 346 L CA -0.409 54.472 54.840 0.069 0.000 0.816 346 L CB 1.268 43.304 42.059 -0.038 0.000 1.197 346 L HN 0.595 nan 8.230 nan 0.000 0.427 347 K N 5.581 126.002 120.400 0.036 0.000 2.535 347 K HA 0.355 4.675 4.320 -0.000 0.000 0.242 347 K C -0.370 176.255 176.600 0.041 0.000 1.210 347 K CA -0.308 55.992 56.287 0.022 0.000 1.178 347 K CB 0.271 32.781 32.500 0.016 0.000 1.778 347 K HN 0.524 nan 8.250 nan 0.000 0.372 348 L N 1.611 122.852 121.223 0.031 0.000 2.461 348 L HA 0.055 4.395 4.340 -0.000 0.000 0.272 348 L C 1.233 178.131 176.870 0.047 0.000 1.197 348 L CA -0.323 54.541 54.840 0.040 0.000 0.836 348 L CB 0.151 42.220 42.059 0.017 0.000 1.105 348 L HN 0.464 nan 8.230 nan 0.000 0.477 349 H N 4.678 123.726 119.070 -0.036 0.000 3.064 349 H HA -0.032 4.524 4.556 -0.000 0.000 0.329 349 H C -1.762 173.559 175.328 -0.012 0.000 1.020 349 H CA -0.905 55.135 56.048 -0.013 0.000 1.402 349 H CB 1.337 31.099 29.762 0.001 0.000 1.379 349 H HN 0.355 nan 8.280 nan 0.000 0.594 350 P HA -0.166 nan 4.420 nan 0.000 0.217 350 P C 1.402 178.771 177.300 0.115 0.000 1.148 350 P CA 1.426 64.511 63.100 -0.025 0.000 0.834 350 P CB 0.010 31.691 31.700 -0.032 0.000 0.783 351 C N -2.169 117.325 119.300 0.323 0.000 2.448 351 C HA 0.049 4.509 4.460 -0.000 0.000 0.280 351 C C 2.577 177.543 174.990 -0.040 0.000 1.398 351 C CA 0.484 59.603 59.018 0.169 0.000 1.774 351 C CB -1.614 26.251 27.740 0.208 0.000 1.888 351 C HN 0.210 nan 8.230 nan 0.000 0.519 352 L N 0.225 121.397 121.223 -0.084 0.000 2.425 352 L HA 0.227 4.566 4.340 -0.000 0.000 0.215 352 L C 1.597 178.430 176.870 -0.061 0.000 1.065 352 L CA 0.051 54.767 54.840 -0.207 0.000 0.842 352 L CB -0.674 41.147 42.059 -0.395 0.000 1.033 352 L HN 0.117 nan 8.230 nan 0.000 0.474 353 A N 1.945 124.768 122.820 0.004 0.000 2.566 353 A HA 0.068 4.388 4.320 -0.000 0.000 0.245 353 A C -1.358 176.265 177.584 0.064 0.000 1.056 353 A CA -0.722 51.349 52.037 0.058 0.000 0.757 353 A CB -0.267 18.765 19.000 0.053 0.000 0.979 353 A HN 0.061 nan 8.150 nan 0.000 0.508 354 P HA -0.017 nan 4.420 nan 0.000 0.217 354 P C 0.184 177.515 177.300 0.052 0.000 1.151 354 P CA 1.127 64.260 63.100 0.055 0.000 0.828 354 P CB 0.113 31.832 31.700 0.032 0.000 0.788 355 I N 0.074 120.677 120.570 0.055 0.000 2.362 355 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 355 I C 1.276 177.427 176.117 0.058 0.000 0.994 355 I CA -0.794 60.544 61.300 0.063 0.000 1.158 355 I CB 1.968 39.994 38.000 0.044 0.000 1.315 355 I HN -0.318 nan 8.210 nan 0.000 0.451 356 K N 4.147 124.595 120.400 0.080 0.000 2.137 356 K HA 0.227 4.547 4.320 -0.000 0.000 0.202 356 K C 0.229 176.901 176.600 0.120 0.000 1.052 356 K CA 0.853 57.202 56.287 0.102 0.000 0.961 356 K CB 0.431 33.004 32.500 0.122 0.000 0.741 356 K HN 0.401 nan 8.250 nan 0.000 0.452 357 V N -0.190 119.783 119.914 0.098 0.000 3.012 357 V HA 0.657 4.777 4.120 -0.000 0.000 0.307 357 V C -1.846 174.273 176.094 0.041 0.000 1.166 357 V CA -1.001 61.353 62.300 0.090 0.000 0.974 357 V CB 2.084 33.980 31.823 0.121 0.000 1.040 357 V HN 0.201 nan 8.190 nan 0.000 0.428 358 A N 6.394 129.179 122.820 -0.058 0.000 2.337 358 A HA 0.920 5.240 4.320 -0.000 0.000 0.329 358 A C -1.253 176.367 177.584 0.059 0.000 1.146 358 A CA -0.637 51.345 52.037 -0.090 0.000 0.800 358 A CB 1.185 19.749 19.000 -0.727 0.000 1.220 358 A HN 0.859 nan 8.150 nan 0.000 0.472 359 L N 2.411 123.742 121.223 0.179 0.000 2.333 359 L HA 0.549 4.888 4.340 -0.000 0.000 0.280 359 L C -0.803 176.263 176.870 0.325 0.000 1.004 359 L CA -0.612 54.362 54.840 0.224 0.000 0.820 359 L CB 1.756 43.960 42.059 0.242 0.000 1.247 359 L HN 0.671 nan 8.230 nan 0.000 0.416 360 D N 1.341 121.897 120.400 0.259 0.000 2.559 360 D HA 0.593 5.233 4.640 -0.000 0.000 0.250 360 D C -1.052 175.341 176.300 0.155 0.000 1.135 360 D CA -0.229 53.925 54.000 0.257 0.000 0.955 360 D CB 3.492 44.457 40.800 0.275 0.000 1.442 360 D HN 0.268 nan 8.370 nan 0.000 0.471 361 V N -1.977 118.014 119.914 0.129 0.000 2.715 361 V HA 0.932 5.052 4.120 -0.000 0.000 0.310 361 V C 0.293 176.414 176.094 0.044 0.000 1.054 361 V CA -0.365 61.973 62.300 0.064 0.000 0.928 361 V CB 1.427 33.279 31.823 0.048 0.000 1.007 361 V HN 0.641 nan 8.190 nan 0.000 0.437 362 G N 2.074 110.888 108.800 0.024 0.000 3.019 362 G HA2 0.370 4.330 3.960 -0.000 0.000 0.152 362 G HA3 0.370 4.330 3.960 -0.000 0.000 0.152 362 G C -0.324 174.578 174.900 0.003 0.000 1.320 362 G CA -0.974 44.134 45.100 0.013 0.000 1.013 362 G HN 0.709 nan 8.290 nan 0.000 0.593 363 K N 0.983 121.384 120.400 0.001 0.000 2.447 363 K HA 0.487 4.807 4.320 -0.000 0.000 0.281 363 K C 0.380 176.979 176.600 -0.003 0.000 1.031 363 K CA 0.884 57.171 56.287 -0.001 0.000 1.019 363 K CB 0.264 32.765 32.500 0.001 0.000 0.918 363 K HN 1.048 nan 8.250 nan 0.000 0.476 364 G N 3.259 112.058 108.800 -0.003 0.000 2.368 364 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.302 364 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.302 364 G C -3.046 171.852 174.900 -0.004 0.000 1.329 364 G CA -1.150 43.947 45.100 -0.004 0.000 0.935 364 G HN 0.309 nan 8.290 nan 0.000 0.590 365 P HA 0.180 nan 4.420 nan 0.000 0.258 365 P C 1.308 178.605 177.300 -0.006 0.000 1.214 365 P CA 0.454 63.551 63.100 -0.005 0.000 0.872 365 P CB 0.342 32.038 31.700 -0.008 0.000 0.890 366 T N 2.283 116.837 114.554 -0.001 0.000 2.565 366 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 366 T C 1.656 176.358 174.700 0.003 0.000 1.082 366 T CA 1.721 63.824 62.100 0.004 0.000 1.173 366 T CB -0.472 68.401 68.868 0.008 0.000 0.864 366 T HN 0.159 nan 8.240 nan 0.000 0.425 367 V N 1.457 121.372 119.914 0.002 0.000 3.444 367 V HA -0.032 4.087 4.120 -0.000 0.000 0.271 367 V C 1.902 177.989 176.094 -0.011 0.000 1.188 367 V CA 1.273 63.573 62.300 0.000 0.000 1.168 367 V CB -0.902 30.923 31.823 0.002 0.000 0.810 367 V HN 0.571 nan 8.190 nan 0.000 0.500 368 E N -0.527 119.662 120.200 -0.018 0.000 2.332 368 E HA 0.155 4.504 4.350 -0.000 0.000 0.202 368 E C 2.022 178.593 176.600 -0.048 0.000 0.877 368 E CA 0.015 56.397 56.400 -0.029 0.000 0.979 368 E CB 0.073 29.759 29.700 -0.023 0.000 0.969 368 E HN 0.397 nan 8.360 nan 0.000 0.495 369 L N 1.144 122.340 121.223 -0.045 0.000 2.083 369 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 369 L C 2.538 179.339 176.870 -0.114 0.000 1.083 369 L CA 1.194 55.994 54.840 -0.065 0.000 0.752 369 L CB -0.361 41.674 42.059 -0.040 0.000 0.899 369 L HN 0.066 nan 8.230 nan 0.000 0.433 370 R N -0.190 120.260 120.500 -0.084 0.000 2.096 370 R HA -0.172 4.167 4.340 -0.000 0.000 0.235 370 R C 2.288 178.479 176.300 -0.182 0.000 1.127 370 R CA 1.302 57.331 56.100 -0.119 0.000 0.968 370 R CB -0.238 30.079 30.300 0.029 0.000 0.861 370 R HN 0.531 nan 8.270 nan 0.000 0.440 371 Q N -0.089 119.646 119.800 -0.107 0.000 2.123 371 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 371 Q C 2.192 178.114 176.000 -0.129 0.000 0.966 371 Q CA 1.110 56.856 55.803 -0.095 0.000 0.845 371 Q CB 0.065 28.771 28.738 -0.054 0.000 0.907 371 Q HN 0.138 nan 8.270 nan 0.000 0.439 372 V N 0.332 120.163 119.914 -0.139 0.000 2.295 372 V HA -0.324 3.795 4.120 -0.000 0.000 0.246 372 V C 2.345 178.316 176.094 -0.205 0.000 1.049 372 V CA 1.585 63.802 62.300 -0.138 0.000 1.024 372 V CB -0.529 31.222 31.823 -0.120 0.000 0.648 372 V HN 0.522 nan 8.190 nan 0.000 0.447 373 C N -0.854 118.242 119.300 -0.341 0.000 2.413 373 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 373 C C 2.860 177.552 174.990 -0.497 0.000 1.248 373 C CA 0.811 59.496 59.018 -0.555 0.000 1.742 373 C CB -1.056 25.988 27.740 -1.161 0.000 2.017 373 C HN 0.559 nan 8.230 nan 0.000 0.481 374 Q N 0.326 119.870 119.800 -0.427 0.000 2.084 374 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 374 Q C 2.484 178.440 176.000 -0.074 0.000 0.978 374 Q CA 2.058 57.774 55.803 -0.145 0.000 0.844 374 Q CB -0.849 27.857 28.738 -0.054 0.000 0.898 374 Q HN 0.771 nan 8.270 nan 0.000 0.426 375 G N 1.008 109.753 108.800 -0.091 0.000 2.446 375 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 375 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 375 G C 1.459 176.334 174.900 -0.043 0.000 1.168 375 G CA 0.718 45.786 45.100 -0.053 0.000 0.771 375 G HN 0.291 nan 8.290 nan 0.000 0.551 376 L N 0.225 121.407 121.223 -0.068 0.000 2.012 376 L HA -0.010 4.329 4.340 -0.000 0.000 0.210 376 L C 2.673 179.539 176.870 -0.007 0.000 1.073 376 L CA 1.667 56.482 54.840 -0.042 0.000 0.748 376 L CB -0.868 41.153 42.059 -0.064 0.000 0.891 376 L HN 0.256 nan 8.230 nan 0.000 0.431 377 L N -0.028 121.196 121.223 0.002 0.000 1.971 377 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 377 L C 2.289 179.182 176.870 0.038 0.000 1.072 377 L CA 2.020 56.894 54.840 0.056 0.000 0.758 377 L CB -1.093 41.043 42.059 0.127 0.000 0.889 377 L HN 0.358 nan 8.230 nan 0.000 0.433 378 N N -0.063 118.652 118.700 0.026 0.000 2.091 378 N HA -0.278 4.462 4.740 -0.000 0.000 0.193 378 N C 1.858 177.378 175.510 0.018 0.000 1.021 378 N CA 1.818 54.880 53.050 0.019 0.000 0.862 378 N CB -0.395 38.098 38.487 0.011 0.000 1.018 378 N HN 0.599 nan 8.380 nan 0.000 0.429 379 E N 0.416 120.624 120.200 0.014 0.000 2.110 379 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 379 E C 1.930 178.545 176.600 0.024 0.000 0.988 379 E CA 0.631 57.041 56.400 0.016 0.000 0.804 379 E CB 0.038 29.745 29.700 0.012 0.000 0.745 379 E HN 0.302 nan 8.360 nan 0.000 0.458 380 L N 0.381 121.622 121.223 0.029 0.000 2.095 380 L HA -0.116 4.224 4.340 -0.000 0.000 0.204 380 L C 2.551 179.443 176.870 0.038 0.000 1.080 380 L CA 0.481 55.344 54.840 0.037 0.000 0.759 380 L CB -0.296 41.791 42.059 0.046 0.000 0.914 380 L HN 0.201 nan 8.230 nan 0.000 0.439 381 L N -0.201 121.044 121.223 0.036 0.000 2.017 381 L HA -0.229 4.110 4.340 -0.000 0.000 0.208 381 L C 2.520 179.406 176.870 0.028 0.000 1.073 381 L CA 1.452 56.310 54.840 0.032 0.000 0.745 381 L CB -0.511 41.563 42.059 0.027 0.000 0.894 381 L HN 0.308 nan 8.230 nan 0.000 0.432 382 E N 0.005 120.220 120.200 0.025 0.000 2.219 382 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 382 E C 1.240 177.855 176.600 0.025 0.000 0.998 382 E CA 0.941 57.355 56.400 0.022 0.000 0.818 382 E CB -0.095 29.617 29.700 0.020 0.000 0.741 382 E HN 0.538 nan 8.360 nan 0.000 0.477 383 N N -0.342 118.375 118.700 0.029 0.000 2.276 383 N HA 0.026 4.765 4.740 -0.000 0.000 0.212 383 N C 0.554 176.085 175.510 0.036 0.000 1.127 383 N CA 0.456 53.525 53.050 0.032 0.000 0.834 383 N CB 1.124 39.630 38.487 0.033 0.000 1.014 383 N HN 0.173 nan 8.380 nan 0.000 0.491 384 G N 1.661 110.482 108.800 0.035 0.000 2.187 384 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 384 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 384 G C 0.108 175.034 174.900 0.044 0.000 1.000 384 G CA 0.057 45.179 45.100 0.037 0.000 0.718 384 G HN 0.359 nan 8.290 nan 0.000 0.519 385 I N 2.074 122.673 120.570 0.048 0.000 2.352 385 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 385 I C 1.167 177.320 176.117 0.061 0.000 1.036 385 I CA -0.187 61.148 61.300 0.059 0.000 1.336 385 I CB 1.305 39.342 38.000 0.062 0.000 1.407 385 I HN 0.319 nan 8.210 nan 0.000 0.497 386 S N 6.216 121.956 115.700 0.067 0.000 2.531 386 S HA 0.510 4.980 4.470 -0.000 0.000 0.279 386 S C -0.393 174.261 174.600 0.091 0.000 1.305 386 S CA -0.718 57.526 58.200 0.072 0.000 1.058 386 S CB 1.215 64.458 63.200 0.072 0.000 0.899 386 S HN 0.346 nan 8.310 nan 0.000 0.493 387 V N 3.844 123.816 119.914 0.098 0.000 2.760 387 V HA 0.418 4.538 4.120 -0.000 0.000 0.309 387 V C -0.806 175.380 176.094 0.154 0.000 1.077 387 V CA -0.855 61.515 62.300 0.117 0.000 0.910 387 V CB 1.967 33.845 31.823 0.091 0.000 1.008 387 V HN 1.040 nan 8.190 nan 0.000 0.424 388 W N 7.660 128.941 121.300 -0.033 0.000 2.316 388 W HA 0.422 5.081 4.660 -0.000 0.000 0.308 388 W C -2.506 173.997 176.519 -0.027 0.000 1.106 388 W CA -2.344 54.975 57.345 -0.042 0.000 1.262 388 W CB 2.242 31.654 29.460 -0.080 0.000 1.233 388 W HN 0.390 nan 8.180 nan 0.000 0.447 389 P HA 0.124 nan 4.420 nan 0.000 0.225 389 P C 0.932 177.803 177.300 -0.715 0.000 1.830 389 P CA 0.120 62.865 63.100 -0.592 0.000 1.051 389 P CB 0.203 31.459 31.700 -0.741 0.000 1.929 390 G N 1.945 110.631 108.800 -0.190 0.000 2.470 390 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 390 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 390 G C 1.096 175.994 174.900 -0.004 0.000 1.121 390 G CA 0.334 45.493 45.100 0.098 0.000 0.766 390 G HN 0.437 nan 8.290 nan 0.000 0.553 391 Y N 0.720 121.039 120.300 0.031 0.000 2.483 391 Y HA 0.107 4.657 4.550 -0.000 0.000 0.291 391 Y C 2.311 178.197 175.900 -0.024 0.000 1.143 391 Y CA 0.756 58.861 58.100 0.009 0.000 1.289 391 Y CB -0.441 38.020 38.460 0.001 0.000 0.983 391 Y HN 0.099 nan 8.280 nan 0.000 0.556 392 S N -0.536 114.852 115.700 -0.520 0.000 2.527 392 S HA -0.009 4.460 4.470 -0.000 0.000 0.222 392 S C 0.790 175.294 174.600 -0.160 0.000 0.985 392 S CA 0.141 58.152 58.200 -0.316 0.000 0.921 392 S CB -0.106 62.819 63.200 -0.457 0.000 0.772 392 S HN 0.576 nan 8.310 nan 0.000 0.529 393 E N 0.941 121.069 120.200 -0.120 0.000 2.766 393 E HA 0.106 4.455 4.350 -0.000 0.000 0.261 393 E C 1.456 178.044 176.600 -0.019 0.000 1.427 393 E CA 0.260 56.635 56.400 -0.041 0.000 1.085 393 E CB 0.318 30.030 29.700 0.020 0.000 1.074 393 E HN 0.006 nan 8.360 nan 0.000 0.651 394 T N -1.003 113.549 114.554 -0.002 0.000 3.009 394 T HA -0.030 4.320 4.350 -0.000 0.000 0.258 394 T C 0.981 175.612 174.700 -0.116 0.000 1.063 394 T CA 1.415 63.505 62.100 -0.017 0.000 1.139 394 T CB -0.276 68.629 68.868 0.062 0.000 0.890 394 T HN 0.799 nan 8.240 nan 0.000 0.471 395 V N -1.924 117.938 119.914 -0.087 0.000 2.792 395 V HA -0.158 3.962 4.120 -0.000 0.000 0.173 395 V C 0.395 176.372 176.094 -0.195 0.000 1.437 395 V CA 1.300 63.526 62.300 -0.123 0.000 1.903 395 V CB -2.824 28.918 31.823 -0.135 0.000 1.310 395 V HN 0.613 nan 8.190 nan 0.000 1.136 396 H N 2.484 121.561 119.070 0.012 0.000 2.996 396 H HA 0.464 5.020 4.556 -0.000 0.000 0.285 396 H C 1.246 176.570 175.328 -0.006 0.000 1.092 396 H CA 1.218 57.268 56.048 0.003 0.000 1.221 396 H CB -0.164 29.601 29.762 0.004 0.000 1.277 396 H HN 1.091 nan 8.280 nan 0.000 0.668 397 S N -0.938 114.774 115.700 0.021 0.000 2.532 397 S HA 0.380 4.850 4.470 -0.000 0.000 0.301 397 S C 0.260 174.839 174.600 -0.036 0.000 1.083 397 S CA -0.858 57.339 58.200 -0.004 0.000 1.025 397 S CB 2.961 66.144 63.200 -0.028 0.000 1.056 397 S HN 0.207 nan 8.310 nan 0.000 0.494 398 S N 1.300 116.974 115.700 -0.044 0.000 2.600 398 S HA 0.264 4.734 4.470 -0.000 0.000 0.265 398 S C 1.120 175.642 174.600 -0.130 0.000 1.325 398 S CA -0.668 57.494 58.200 -0.063 0.000 1.002 398 S CB 0.279 63.451 63.200 -0.046 0.000 0.921 398 S HN 0.739 nan 8.310 nan 0.000 0.554 399 L N 2.749 123.881 121.223 -0.153 0.000 2.046 399 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 399 L C 2.215 178.845 176.870 -0.399 0.000 1.077 399 L CA 2.022 56.676 54.840 -0.311 0.000 0.747 399 L CB -0.925 40.994 42.059 -0.234 0.000 0.896 399 L HN 0.771 nan 8.230 nan 0.000 0.432 400 E N -0.919 119.176 120.200 -0.175 0.000 2.110 400 E HA -0.244 4.105 4.350 -0.000 0.000 0.193 400 E C 2.134 178.685 176.600 -0.080 0.000 0.988 400 E CA 1.331 57.685 56.400 -0.076 0.000 0.804 400 E CB -0.356 29.334 29.700 -0.018 0.000 0.745 400 E HN 0.582 nan 8.360 nan 0.000 0.458 401 Q N -0.146 119.590 119.800 -0.107 0.000 2.083 401 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 401 Q C 2.085 177.986 176.000 -0.165 0.000 0.969 401 Q CA 0.744 56.488 55.803 -0.099 0.000 0.838 401 Q CB -0.156 28.535 28.738 -0.079 0.000 0.900 401 Q HN 0.172 nan 8.270 nan 0.000 0.436 402 L N 0.319 121.394 121.223 -0.246 0.000 2.012 402 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 402 L C 1.915 178.546 176.870 -0.397 0.000 1.073 402 L CA 1.998 56.599 54.840 -0.400 0.000 0.748 402 L CB -0.487 41.362 42.059 -0.350 0.000 0.891 402 L HN 0.287 nan 8.230 nan 0.000 0.431 403 H N -1.984 116.994 119.070 -0.153 0.000 2.357 403 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 403 H C 2.396 177.701 175.328 -0.037 0.000 1.082 403 H CA 1.083 57.114 56.048 -0.029 0.000 1.342 403 H CB 0.017 29.796 29.762 0.027 0.000 1.389 403 H HN 0.506 nan 8.280 nan 0.000 0.511 404 S N 1.072 116.808 115.700 0.061 0.000 2.382 404 S HA -0.232 4.237 4.470 -0.000 0.000 0.228 404 S C 2.044 176.642 174.600 -0.004 0.000 1.027 404 S CA 1.528 59.745 58.200 0.029 0.000 0.991 404 S CB -0.135 63.071 63.200 0.009 0.000 0.823 404 S HN 0.381 nan 8.310 nan 0.000 0.469 405 K N -0.291 120.052 120.400 -0.095 0.000 2.026 405 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 405 K C 1.923 178.497 176.600 -0.043 0.000 1.048 405 K CA 1.601 57.811 56.287 -0.128 0.000 0.929 405 K CB -0.402 31.943 32.500 -0.259 0.000 0.713 405 K HN 0.439 nan 8.250 nan 0.000 0.439 406 Y N 1.919 122.205 120.300 -0.023 0.000 2.224 406 Y HA -0.176 4.374 4.550 -0.000 0.000 0.289 406 Y C 1.998 177.885 175.900 -0.022 0.000 1.146 406 Y CA 1.031 59.103 58.100 -0.047 0.000 1.182 406 Y CB -0.658 37.807 38.460 0.008 0.000 0.983 406 Y HN 0.223 nan 8.280 nan 0.000 0.524 407 D N 0.115 120.604 120.400 0.148 0.000 2.144 407 D HA -0.100 4.539 4.640 -0.000 0.000 0.199 407 D C 0.828 177.183 176.300 0.091 0.000 0.984 407 D CA 0.891 54.942 54.000 0.086 0.000 0.834 407 D CB -0.206 40.630 40.800 0.059 0.000 0.955 407 D HN 0.438 nan 8.370 nan 0.000 0.465 411 V N 3.701 123.626 119.914 0.019 0.000 2.557 411 V HA 0.073 4.193 4.120 -0.000 0.000 0.301 411 V C 1.669 177.700 176.094 -0.106 0.000 1.026 411 V CA 0.689 62.959 62.300 -0.051 0.000 1.137 411 V CB 0.631 32.373 31.823 -0.135 0.000 0.917 411 V HN 0.552 nan 8.190 nan 0.000 0.484 412 L N 4.402 125.546 121.223 -0.132 0.000 2.109 412 L HA 0.124 4.463 4.340 -0.000 0.000 0.207 412 L C 0.140 176.535 176.870 -0.791 0.000 1.086 412 L CA 1.488 56.104 54.840 -0.374 0.000 0.760 412 L CB -0.102 41.801 42.059 -0.259 0.000 0.910 412 L HN 0.457 nan 8.230 nan 0.000 0.437 413 F N -1.159 118.742 119.950 -0.082 0.000 2.591 413 F HA 0.335 4.862 4.527 -0.000 0.000 0.309 413 F C -0.037 175.717 175.800 -0.078 0.000 1.098 413 F CA -0.971 56.983 58.000 -0.077 0.000 0.937 413 F CB 1.870 40.839 39.000 -0.052 0.000 1.250 413 F HN -0.276 nan 8.300 nan 0.000 0.447 414 S N 1.122 116.892 115.700 0.116 0.000 2.503 414 S HA 0.919 5.389 4.470 -0.000 0.000 0.301 414 S C -1.207 173.465 174.600 0.120 0.000 1.087 414 S CA -0.798 57.455 58.200 0.088 0.000 1.042 414 S CB 1.958 65.262 63.200 0.173 0.000 1.043 414 S HN 0.372 nan 8.310 nan 0.000 0.489 415 V N 2.572 122.556 119.914 0.117 0.000 2.604 415 V HA 0.590 4.710 4.120 -0.000 0.000 0.305 415 V C -0.880 175.282 176.094 0.113 0.000 1.043 415 V CA -0.725 61.624 62.300 0.083 0.000 0.888 415 V CB 1.569 33.419 31.823 0.043 0.000 0.995 415 V HN 0.878 nan 8.190 nan 0.000 0.429 416 L N 5.462 126.737 121.223 0.086 0.000 2.333 416 L HA 0.731 5.071 4.340 -0.000 0.000 0.280 416 L C -0.674 176.214 176.870 0.030 0.000 1.004 416 L CA -0.065 54.826 54.840 0.085 0.000 0.820 416 L CB 1.904 44.025 42.059 0.104 0.000 1.247 416 L HN 0.450 nan 8.230 nan 0.000 0.416 417 V N 4.030 123.954 119.914 0.017 0.000 2.417 417 V HA 0.776 4.896 4.120 -0.000 0.000 0.291 417 V C 0.154 176.239 176.094 -0.015 0.000 1.024 417 V CA -0.031 62.256 62.300 -0.022 0.000 0.861 417 V CB 1.705 33.495 31.823 -0.053 0.000 0.985 417 V HN 0.945 nan 8.190 nan 0.000 0.436 418 T N 0.037 114.578 114.554 -0.022 0.000 2.804 418 T HA 0.425 4.775 4.350 -0.000 0.000 0.290 418 T C 0.791 175.478 174.700 -0.023 0.000 1.099 418 T CA -0.552 61.538 62.100 -0.015 0.000 1.011 418 T CB 1.750 70.615 68.868 -0.006 0.000 1.291 418 T HN 0.487 nan 8.240 nan 0.000 0.523 419 E N 0.309 120.499 120.200 -0.016 0.000 2.108 419 E HA -0.217 4.133 4.350 -0.000 0.000 0.203 419 E C 1.999 178.588 176.600 -0.019 0.000 1.022 419 E CA 2.419 58.809 56.400 -0.016 0.000 0.823 419 E CB -0.572 29.123 29.700 -0.009 0.000 0.744 419 E HN 0.771 nan 8.360 nan 0.000 0.456 420 T N 0.208 114.752 114.554 -0.017 0.000 2.720 420 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 420 T C 1.992 176.674 174.700 -0.030 0.000 1.037 420 T CA 1.744 63.834 62.100 -0.018 0.000 1.144 420 T CB -0.560 68.299 68.868 -0.015 0.000 0.864 420 T HN 0.187 nan 8.240 nan 0.000 0.444 421 T N 2.434 116.962 114.554 -0.042 0.000 2.759 421 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 421 T C 1.920 176.581 174.700 -0.065 0.000 1.042 421 T CA 0.840 62.898 62.100 -0.069 0.000 1.140 421 T CB -0.483 68.338 68.868 -0.078 0.000 0.864 421 T HN 0.300 nan 8.240 nan 0.000 0.455 422 L N 0.425 121.621 121.223 -0.046 0.000 2.201 422 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 422 L C 2.604 179.460 176.870 -0.024 0.000 1.105 422 L CA 1.288 56.106 54.840 -0.036 0.000 0.775 422 L CB -0.446 41.596 42.059 -0.028 0.000 0.913 422 L HN 0.355 nan 8.230 nan 0.000 0.440 423 E N 0.208 120.396 120.200 -0.020 0.000 2.122 423 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 423 E C 0.970 177.570 176.600 -0.000 0.000 0.977 423 E CA 1.098 57.493 56.400 -0.008 0.000 0.820 423 E CB 0.130 29.826 29.700 -0.006 0.000 0.770 423 E HN 0.549 nan 8.360 nan 0.000 0.462 424 N N -1.539 117.156 118.700 -0.008 0.000 2.143 424 N HA 0.081 4.821 4.740 -0.000 0.000 0.229 424 N C 0.881 176.392 175.510 0.001 0.000 1.294 424 N CA 0.563 53.622 53.050 0.015 0.000 0.883 424 N CB 0.831 39.328 38.487 0.016 0.000 1.148 424 N HN 0.124 nan 8.380 nan 0.000 0.511 425 G N 0.681 109.427 108.800 -0.091 0.000 2.166 425 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 425 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 425 G C -0.409 174.252 174.900 -0.398 0.000 0.986 425 G CA 0.647 45.556 45.100 -0.317 0.000 0.683 425 G HN 0.362 nan 8.290 nan 0.000 0.527 426 L N 0.921 122.040 121.223 -0.173 0.000 2.292 426 L HA 0.692 5.032 4.340 -0.000 0.000 0.284 426 L C 1.008 177.814 176.870 -0.106 0.000 1.065 426 L CA -0.979 53.789 54.840 -0.120 0.000 0.806 426 L CB 1.106 43.140 42.059 -0.042 0.000 1.175 426 L HN 0.352 nan 8.230 nan 0.000 0.431 427 I N 0.029 120.537 120.570 -0.103 0.000 2.740 427 I HA 0.480 4.650 4.170 -0.000 0.000 0.303 427 I C -0.619 175.463 176.117 -0.057 0.000 1.044 427 I CA -0.856 60.399 61.300 -0.075 0.000 1.064 427 I CB 1.936 39.886 38.000 -0.084 0.000 1.249 427 I HN 0.608 nan 8.210 nan 0.000 0.433 428 Q N 3.817 123.602 119.800 -0.026 0.000 2.278 428 Q HA 0.443 4.783 4.340 -0.000 0.000 0.257 428 Q C -1.780 174.213 176.000 -0.012 0.000 0.928 428 Q CA -0.790 55.005 55.803 -0.013 0.000 0.932 428 Q CB 1.900 30.652 28.738 0.023 0.000 1.221 428 Q HN 0.725 nan 8.270 nan 0.000 0.434 429 L N 4.733 125.928 121.223 -0.046 0.000 2.313 429 L HA 0.518 4.858 4.340 -0.000 0.000 0.283 429 L C -1.148 175.721 176.870 -0.003 0.000 1.013 429 L CA -0.195 54.615 54.840 -0.049 0.000 0.816 429 L CB 1.588 43.533 42.059 -0.189 0.000 1.236 429 L HN 0.687 nan 8.230 nan 0.000 0.419 430 R N 3.132 123.652 120.500 0.035 0.000 2.437 430 R HA 0.573 4.913 4.340 -0.000 0.000 0.310 430 R C -0.994 175.331 176.300 0.042 0.000 0.955 430 R CA -0.362 55.724 56.100 -0.022 0.000 0.851 430 R CB 1.554 31.726 30.300 -0.213 0.000 1.161 430 R HN 0.766 nan 8.270 nan 0.000 0.446 431 S N 3.132 118.844 115.700 0.020 0.000 2.513 431 S HA 0.126 4.596 4.470 -0.000 0.000 0.276 431 S C 1.150 175.628 174.600 -0.204 0.000 1.254 431 S CA -0.597 57.529 58.200 -0.122 0.000 1.053 431 S CB 1.373 64.576 63.200 0.004 0.000 0.958 431 S HN 0.853 nan 8.310 nan 0.000 0.491 432 R N 3.037 123.342 120.500 -0.326 0.000 2.081 432 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 432 R C 0.800 177.017 176.300 -0.139 0.000 1.131 432 R CA 2.087 58.068 56.100 -0.199 0.000 0.960 432 R CB -0.447 29.724 30.300 -0.215 0.000 0.856 432 R HN 0.707 nan 8.270 nan 0.000 0.436 433 D N -0.495 119.810 120.400 -0.160 0.000 2.123 433 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 433 D C 1.778 178.052 176.300 -0.044 0.000 0.992 433 D CA 2.237 56.188 54.000 -0.081 0.000 0.833 433 D CB -0.093 40.675 40.800 -0.054 0.000 0.954 433 D HN 0.504 nan 8.370 nan 0.000 0.455 434 T N -3.636 110.896 114.554 -0.037 0.000 2.971 434 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 434 T C 0.770 175.457 174.700 -0.022 0.000 1.022 434 T CA 0.880 62.971 62.100 -0.015 0.000 0.980 434 T CB 0.176 69.049 68.868 0.008 0.000 1.044 434 T HN 0.297 nan 8.240 nan 0.000 0.501 442 I N 3.322 123.657 120.570 -0.393 0.000 2.623 442 I HA -0.249 3.920 4.170 -0.000 0.000 0.261 442 I C 1.689 177.791 176.117 -0.025 0.000 1.204 442 I CA 1.976 63.157 61.300 -0.199 0.000 1.444 442 I CB 0.088 37.941 38.000 -0.246 0.000 1.094 442 I HN 0.519 nan 8.210 nan 0.000 0.451 443 S N -0.721 115.100 115.700 0.201 0.000 2.527 443 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 443 S C 1.674 176.357 174.600 0.138 0.000 0.985 443 S CA 0.107 58.440 58.200 0.221 0.000 0.921 443 S CB -0.104 63.285 63.200 0.314 0.000 0.772 443 S HN 0.447 nan 8.310 nan 0.000 0.529 444 K N 0.088 120.568 120.400 0.133 0.000 2.367 444 K HA 0.338 4.658 4.320 -0.000 0.000 0.194 444 K C 1.433 178.078 176.600 0.075 0.000 1.027 444 K CA -0.056 56.281 56.287 0.083 0.000 1.075 444 K CB -0.008 32.534 32.500 0.070 0.000 0.845 444 K HN 0.202 nan 8.250 nan 0.000 0.529 445 L N 1.734 122.984 121.223 0.045 0.000 2.027 445 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 445 L C 2.388 179.311 176.870 0.089 0.000 1.074 445 L CA 1.657 56.522 54.840 0.042 0.000 0.745 445 L CB -0.304 41.748 42.059 -0.012 0.000 0.898 445 L HN 0.039 nan 8.230 nan 0.000 0.433 446 R N -0.551 119.985 120.500 0.060 0.000 2.096 446 R HA -0.206 4.133 4.340 -0.000 0.000 0.240 446 R C 1.902 178.238 176.300 0.060 0.000 1.139 446 R CA 2.142 58.274 56.100 0.054 0.000 0.952 446 R CB -0.449 29.875 30.300 0.040 0.000 0.854 446 R HN 0.423 nan 8.270 nan 0.000 0.436 447 D N -0.207 120.235 120.400 0.070 0.000 2.117 447 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 447 D C 1.603 177.947 176.300 0.073 0.000 0.987 447 D CA 1.127 55.165 54.000 0.063 0.000 0.829 447 D CB -0.351 40.487 40.800 0.064 0.000 0.961 447 D HN 0.243 nan 8.370 nan 0.000 0.460 448 F N 1.464 121.393 119.950 -0.035 0.000 2.102 448 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 448 F C 2.117 177.885 175.800 -0.054 0.000 1.105 448 F CA 1.214 59.178 58.000 -0.059 0.000 1.239 448 F CB -0.341 38.581 39.000 -0.130 0.000 0.991 448 F HN -0.128 nan 8.300 nan 0.000 0.474 449 L N -0.573 120.614 121.223 -0.059 0.000 2.027 449 L HA -0.198 4.141 4.340 -0.000 0.000 0.206 449 L C 2.419 179.246 176.870 -0.071 0.000 1.074 449 L CA 1.021 55.782 54.840 -0.132 0.000 0.745 449 L CB -0.908 41.157 42.059 0.010 0.000 0.898 449 L HN 0.022 nan 8.230 nan 0.000 0.433 450 V N 0.003 119.901 119.914 -0.026 0.000 2.332 450 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 450 V C 2.495 178.572 176.094 -0.028 0.000 1.055 450 V CA 1.792 64.089 62.300 -0.005 0.000 1.038 450 V CB -0.527 31.302 31.823 0.010 0.000 0.651 450 V HN 0.418 nan 8.190 nan 0.000 0.450 451 K N -1.251 119.108 120.400 -0.068 0.000 2.103 451 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 451 K C 2.179 178.706 176.600 -0.121 0.000 1.052 451 K CA 1.583 57.820 56.287 -0.082 0.000 0.945 451 K CB -0.289 32.166 32.500 -0.076 0.000 0.722 451 K HN 0.559 nan 8.250 nan 0.000 0.443 452 Y N 1.859 121.954 120.300 -0.342 0.000 2.145 452 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 452 Y C 1.846 177.661 175.900 -0.140 0.000 1.145 452 Y CA 1.381 59.286 58.100 -0.324 0.000 1.148 452 Y CB -0.156 37.972 38.460 -0.554 0.000 0.981 452 Y HN -0.084 nan 8.280 nan 0.000 0.507 453 L N -0.436 120.834 121.223 0.077 0.000 2.056 453 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 453 L C 2.773 179.635 176.870 -0.014 0.000 1.078 453 L CA 1.150 56.026 54.840 0.061 0.000 0.749 453 L CB -0.970 41.152 42.059 0.104 0.000 0.901 453 L HN 0.320 nan 8.230 nan 0.000 0.433 454 A N -1.030 121.776 122.820 -0.023 0.000 1.930 454 A HA -0.212 4.107 4.320 -0.000 0.000 0.217 454 A C 2.542 180.096 177.584 -0.050 0.000 1.175 454 A CA 1.951 53.978 52.037 -0.016 0.000 0.627 454 A CB -0.606 18.387 19.000 -0.011 0.000 0.815 454 A HN 0.355 nan 8.150 nan 0.000 0.443 455 S N -0.381 115.253 115.700 -0.110 0.000 2.356 455 S HA -0.041 4.429 4.470 -0.000 0.000 0.223 455 S C 2.229 176.742 174.600 -0.146 0.000 1.032 455 S CA 1.556 59.673 58.200 -0.138 0.000 1.005 455 S CB -0.497 62.588 63.200 -0.192 0.000 0.867 455 S HN 0.815 nan 8.310 nan 0.000 0.449 456 A N 1.255 123.947 122.820 -0.214 0.000 1.908 456 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 456 A C 2.429 180.038 177.584 0.042 0.000 1.181 456 A CA 2.444 54.394 52.037 -0.144 0.000 0.627 456 A CB -1.202 17.662 19.000 -0.228 0.000 0.818 456 A HN 0.814 nan 8.150 nan 0.000 0.445 457 S N -0.232 115.501 115.700 0.055 0.000 2.428 457 S HA -0.105 4.364 4.470 -0.000 0.000 0.230 457 S C 1.627 176.247 174.600 0.034 0.000 1.014 457 S CA 1.066 59.323 58.200 0.095 0.000 0.957 457 S CB -0.490 62.778 63.200 0.113 0.000 0.784 457 S HN 0.547 nan 8.310 nan 0.000 0.499 458 N N 1.652 120.350 118.700 -0.003 0.000 2.216 458 N HA 0.052 4.792 4.740 -0.000 0.000 0.183 458 N C 1.733 177.216 175.510 -0.045 0.000 1.017 458 N CA 1.118 54.153 53.050 -0.026 0.000 0.861 458 N CB -0.629 37.838 38.487 -0.034 0.000 0.986 458 N HN 0.313 nan 8.380 nan 0.000 0.428 459 V N 1.556 121.441 119.914 -0.048 0.000 2.358 459 V HA -0.160 3.959 4.120 -0.000 0.000 0.246 459 V C 2.391 178.433 176.094 -0.088 0.000 1.047 459 V CA 1.754 64.018 62.300 -0.060 0.000 1.035 459 V CB -0.871 30.919 31.823 -0.055 0.000 0.658 459 V HN 0.265 nan 8.190 nan 0.000 0.452 460 A N 0.078 122.844 122.820 -0.089 0.000 1.902 460 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 460 A C 2.243 179.704 177.584 -0.205 0.000 1.181 460 A CA 1.808 53.709 52.037 -0.228 0.000 0.623 460 A CB -0.697 18.121 19.000 -0.303 0.000 0.818 460 A HN 0.598 nan 8.150 nan 0.000 0.443 461 A N -0.469 122.290 122.820 -0.101 0.000 2.239 461 A HA 0.402 4.722 4.320 -0.000 0.000 0.209 461 A C 2.126 179.656 177.584 -0.090 0.000 1.171 461 A CA 1.260 53.251 52.037 -0.077 0.000 0.768 461 A CB -0.826 18.145 19.000 -0.048 0.000 0.790 461 A HN 0.952 nan 8.150 nan 0.000 0.478 462 A N 0.185 122.948 122.820 -0.094 0.000 1.903 462 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 462 A C 1.611 179.163 177.584 -0.054 0.000 1.191 462 A CA 1.631 53.625 52.037 -0.072 0.000 0.638 462 A CB -0.410 18.542 19.000 -0.080 0.000 0.823 462 A HN 0.533 nan 8.150 nan 0.000 0.451 463 L N -0.660 120.519 121.223 -0.073 0.000 2.928 463 L HA 0.152 4.492 4.340 -0.000 0.000 0.246 463 L C 0.830 177.710 176.870 0.016 0.000 1.239 463 L CA -0.205 54.619 54.840 -0.025 0.000 1.035 463 L CB 0.098 42.102 42.059 -0.092 0.000 1.360 463 L HN 0.237 nan 8.230 nan 0.000 0.529 464 D N 0.329 120.702 120.400 -0.045 0.000 2.219 464 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 464 D C 1.163 177.342 176.300 -0.201 0.000 0.970 464 D CA 1.400 55.367 54.000 -0.054 0.000 0.851 464 D CB 0.264 40.990 40.800 -0.125 0.000 0.943 464 D HN 0.491 nan 8.370 nan 0.000 0.488 465 H N -2.066 117.039 119.070 0.058 0.000 2.592 465 H HA 0.119 4.675 4.556 -0.000 0.000 0.279 465 H C -0.190 175.122 175.328 -0.028 0.000 1.089 465 H CA -0.384 55.667 56.048 0.005 0.000 1.150 465 H CB 0.200 29.933 29.762 -0.048 0.000 1.575 465 H HN 0.055 nan 8.280 nan 0.000 0.547 466 H N 0.680 119.715 119.070 -0.058 0.000 2.964 466 H HA -0.056 4.500 4.556 -0.000 0.000 0.328 466 H C -0.031 175.119 175.328 -0.297 0.000 1.030 466 H CA 0.297 56.230 56.048 -0.191 0.000 1.445 466 H CB 0.118 29.715 29.762 -0.276 0.000 1.449 466 H HN 0.425 nan 8.280 nan 0.000 0.581 467 H N 6.046 124.688 119.070 -0.714 0.000 3.008 467 H HA 0.064 4.620 4.556 -0.000 0.000 0.268 467 H C -0.100 174.938 175.328 -0.483 0.000 1.323 467 H CA -0.925 54.873 56.048 -0.416 0.000 1.401 467 H CB -0.321 29.271 29.762 -0.284 0.000 1.556 467 H HN 0.698 nan 8.280 nan 0.000 0.502 468 H N 5.989 125.125 119.070 0.110 0.000 3.091 468 H HA -0.022 4.533 4.556 -0.000 0.000 0.289 468 H C 0.698 175.880 175.328 -0.244 0.000 0.995 468 H CA 0.090 56.024 56.048 -0.189 0.000 1.461 468 H CB 0.051 29.567 29.762 -0.410 0.000 1.510 468 H HN 0.803 nan 8.280 nan 0.000 0.546 469 H N 0.000 119.079 119.070 0.015 0.000 2.539 469 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 469 H CA 0.000 55.981 56.048 -0.112 0.000 1.023 469 H CB 0.000 29.733 29.762 -0.048 0.000 1.292 469 H HN 0.000 nan 8.280 nan 0.000 0.496