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 2fah_1_A DATA FIRST_RESID 34 DATA SEQUENCE LSTSLSALPA AARDFVEEAV RLCRPREVLL CDGSEEEGKE LLRGLQDDGV DATA SEQUENCE LHPLPKYDNC WLARTDPRDV ARVESKTVLV TPEQSDAVPP PPPSGGPPQL DATA SEQUENCE GNWMSPNAFQ AAVQERFPGC MAGRPLYVIP FSMGPPTSPL AKLGVQVTDS DATA SEQUENCE PYVVLSMRIM TRVGPAVLQR LDDDFVRCLH SVGRPLPLTE PLVSSWPCDP DATA SEQUENCE SRVLVAHIPS ERRIVSFGSG YGGNSLLGKK CFALRIASRM AQQQGWLAEH DATA SEQUENCE MLILGVTSPS GEKRYMAAAF PSACGKTNLA MMTPSLPGWR IHCVGDDIAW DATA SEQUENCE MKFDDEGRLR AINPERGFFG VAPGTSSRTN PNAMATIARN TIFTNVGLRS DATA SEQUENCE DGGVYWDGLD EPTEPGVTYT SWLGKPWKHG DPEPCAHPNS RFCAPADQCP DATA SEQUENCE IMDPRWDDPE GVPIDAIIFG GRRPRGVPLV VEAFGWRHGV FMGSAMRSEA DATA SEQUENCE TAAAEHKGGR LMHDPFAMRP FFGYNAGRYL EHWLSTGLRS NARLPRLFHV DATA SEQUENCE NWFLRDNEGR FVWPGFGHNA RVLAWIFGRI QGRDTARPTP IGWVPKEGDL DATA SEQUENCE DLGGLPGVDY SQLFPMEKGF WEEECRQLRE YYGENFGADL PRDVMAELEG DATA SEQUENCE LEERVRKM 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.891 176.870 0.035 0.000 1.165 34 L CA 0.000 54.875 54.840 0.059 0.000 0.813 34 L CB 0.000 42.108 42.059 0.082 0.000 0.961 35 S N -0.822 114.894 115.700 0.027 0.000 2.556 35 S HA 0.559 5.027 4.470 -0.004 0.000 0.271 35 S C 0.412 175.010 174.600 -0.004 0.000 1.135 35 S CA 0.275 58.480 58.200 0.010 0.000 0.858 35 S CB 1.937 65.141 63.200 0.008 0.000 1.114 35 S HN 0.782 nan 8.310 nan 0.000 0.468 36 T N -0.453 114.095 114.554 -0.011 0.000 3.065 36 T HA 0.212 4.560 4.350 -0.004 0.000 0.252 36 T C 0.872 175.560 174.700 -0.020 0.000 1.099 36 T CA 0.374 62.460 62.100 -0.022 0.000 1.063 36 T CB -0.034 68.820 68.868 -0.024 0.000 0.948 36 T HN 0.427 nan 8.240 nan 0.000 0.506 37 S N 0.935 116.628 115.700 -0.012 0.000 2.499 37 S HA 0.408 4.876 4.470 -0.004 0.000 0.275 37 S C 0.667 175.260 174.600 -0.012 0.000 1.257 37 S CA -0.788 57.405 58.200 -0.011 0.000 1.050 37 S CB 0.030 63.226 63.200 -0.007 0.000 0.937 37 S HN 0.468 nan 8.310 nan 0.000 0.490 38 L N 4.648 125.863 121.223 -0.014 0.000 2.667 38 L HA 0.125 4.462 4.340 -0.004 0.000 0.232 38 L C 2.187 179.049 176.870 -0.013 0.000 1.138 38 L CA 0.081 54.913 54.840 -0.014 0.000 0.921 38 L CB -0.181 41.868 42.059 -0.018 0.000 1.180 38 L HN 0.800 nan 8.230 nan 0.000 0.487 39 S N 0.129 115.822 115.700 -0.011 0.000 2.500 39 S HA -0.102 4.366 4.470 -0.004 0.000 0.239 39 S C 1.945 176.538 174.600 -0.012 0.000 0.989 39 S CA 0.803 58.997 58.200 -0.010 0.000 0.951 39 S CB -0.070 63.125 63.200 -0.008 0.000 0.759 39 S HN 0.375 nan 8.310 nan 0.000 0.523 40 A N 1.102 123.914 122.820 -0.014 0.000 2.072 40 A HA 0.419 4.737 4.320 -0.004 0.000 0.216 40 A C 0.977 178.544 177.584 -0.027 0.000 1.156 40 A CA -0.064 51.963 52.037 -0.017 0.000 0.701 40 A CB -0.395 18.597 19.000 -0.014 0.000 0.816 40 A HN 0.547 nan 8.150 nan 0.000 0.458 41 L N 1.986 123.190 121.223 -0.031 0.000 2.453 41 L HA 0.176 4.514 4.340 -0.004 0.000 0.272 41 L C -1.761 175.085 176.870 -0.039 0.000 1.182 41 L CA -1.598 53.213 54.840 -0.049 0.000 0.858 41 L CB 0.332 42.364 42.059 -0.045 0.000 1.120 41 L HN 0.210 nan 8.230 nan 0.000 0.474 42 P HA 0.084 nan 4.420 nan 0.000 0.275 42 P C 0.153 177.451 177.300 -0.004 0.000 1.266 42 P CA -0.387 62.697 63.100 -0.027 0.000 0.793 42 P CB 0.839 32.518 31.700 -0.036 0.000 1.074 43 A N 1.256 124.089 122.820 0.021 0.000 1.865 43 A HA -0.174 4.144 4.320 -0.004 0.000 0.217 43 A C 2.327 179.960 177.584 0.082 0.000 1.191 43 A CA 2.666 54.728 52.037 0.042 0.000 0.623 43 A CB -1.817 17.206 19.000 0.039 0.000 0.826 43 A HN 0.595 nan 8.150 nan 0.000 0.444 44 A N -0.485 122.408 122.820 0.122 0.000 1.940 44 A HA 0.129 4.447 4.320 -0.004 0.000 0.219 44 A C 2.462 180.250 177.584 0.339 0.000 1.176 44 A CA 2.269 54.447 52.037 0.235 0.000 0.631 44 A CB -0.897 18.292 19.000 0.315 0.000 0.814 44 A HN 1.085 nan 8.150 nan 0.000 0.446 45 A N -0.428 122.474 122.820 0.136 0.000 1.897 45 A HA -0.023 4.295 4.320 -0.004 0.000 0.215 45 A C 2.145 179.800 177.584 0.118 0.000 1.181 45 A CA 1.777 53.807 52.037 -0.011 0.000 0.620 45 A CB -0.421 18.359 19.000 -0.366 0.000 0.821 45 A HN 0.456 nan 8.150 nan 0.000 0.443 46 R N 0.656 121.191 120.500 0.059 0.000 2.096 46 R HA -0.175 4.163 4.340 -0.004 0.000 0.240 46 R C 1.446 177.793 176.300 0.078 0.000 1.139 46 R CA 2.268 58.397 56.100 0.048 0.000 0.952 46 R CB -0.722 29.593 30.300 0.025 0.000 0.854 46 R HN 0.484 nan 8.270 nan 0.000 0.436 47 D N -0.517 119.954 120.400 0.118 0.000 2.116 47 D HA -0.199 4.439 4.640 -0.004 0.000 0.193 47 D C 1.622 178.023 176.300 0.168 0.000 0.998 47 D CA 1.444 55.518 54.000 0.124 0.000 0.836 47 D CB -0.444 40.435 40.800 0.132 0.000 0.951 47 D HN 0.266 nan 8.370 nan 0.000 0.449 48 F N 1.388 121.401 119.950 0.105 0.000 2.146 48 F HA -0.165 4.360 4.527 -0.003 0.000 0.298 48 F C 2.121 177.967 175.800 0.077 0.000 1.096 48 F CA 0.866 58.933 58.000 0.112 0.000 1.275 48 F CB -0.512 38.624 39.000 0.226 0.000 1.008 48 F HN -0.199 nan 8.300 nan 0.000 0.480 49 V N 1.103 120.913 119.914 -0.173 0.000 2.287 49 V HA -0.276 3.841 4.120 -0.004 0.000 0.248 49 V C 2.512 178.485 176.094 -0.202 0.000 1.053 49 V CA 2.249 64.378 62.300 -0.286 0.000 1.027 49 V CB -0.751 31.011 31.823 -0.102 0.000 0.646 49 V HN 0.300 nan 8.190 nan 0.000 0.447 50 E N 0.726 120.871 120.200 -0.092 0.000 2.085 50 E HA -0.266 4.082 4.350 -0.004 0.000 0.194 50 E C 2.141 178.698 176.600 -0.071 0.000 0.994 50 E CA 1.807 58.169 56.400 -0.063 0.000 0.801 50 E CB -0.403 29.283 29.700 -0.022 0.000 0.743 50 E HN 0.938 nan 8.360 nan 0.000 0.453 51 E N 1.276 121.437 120.200 -0.065 0.000 2.106 51 E HA -0.055 4.293 4.350 -0.004 0.000 0.192 51 E C 2.121 178.658 176.600 -0.105 0.000 0.984 51 E CA 1.123 57.491 56.400 -0.053 0.000 0.806 51 E CB -0.302 29.401 29.700 0.005 0.000 0.750 51 E HN 0.169 nan 8.360 nan 0.000 0.458 52 A N 1.497 124.183 122.820 -0.223 0.000 1.933 52 A HA -0.103 4.215 4.320 -0.004 0.000 0.218 52 A C 2.506 180.017 177.584 -0.122 0.000 1.175 52 A CA 1.390 53.290 52.037 -0.228 0.000 0.628 52 A CB -0.727 18.014 19.000 -0.432 0.000 0.814 52 A HN 0.194 nan 8.150 nan 0.000 0.444 53 V N 0.024 119.867 119.914 -0.120 0.000 2.358 53 V HA -0.255 3.862 4.120 -0.004 0.000 0.246 53 V C 2.595 178.662 176.094 -0.046 0.000 1.047 53 V CA 2.108 64.363 62.300 -0.075 0.000 1.035 53 V CB -0.807 30.971 31.823 -0.075 0.000 0.658 53 V HN 0.540 nan 8.190 nan 0.000 0.452 54 R N -0.454 120.020 120.500 -0.044 0.000 2.103 54 R HA -0.222 4.116 4.340 -0.004 0.000 0.242 54 R C 2.228 178.518 176.300 -0.015 0.000 1.142 54 R CA 1.889 57.972 56.100 -0.027 0.000 0.960 54 R CB -0.627 29.658 30.300 -0.025 0.000 0.858 54 R HN 0.390 nan 8.270 nan 0.000 0.439 55 L N 0.159 121.373 121.223 -0.015 0.000 2.023 55 L HA -0.103 4.235 4.340 -0.004 0.000 0.205 55 L C 1.991 178.889 176.870 0.046 0.000 1.073 55 L CA 1.745 56.591 54.840 0.011 0.000 0.745 55 L CB -0.362 41.697 42.059 -0.001 0.000 0.900 55 L HN 0.166 nan 8.230 nan 0.000 0.435 56 C N -0.997 118.335 119.300 0.054 0.000 2.533 56 C HA 0.264 4.722 4.460 -0.004 0.000 0.272 56 C C 1.211 176.225 174.990 0.038 0.000 1.371 56 C CA -0.214 58.857 59.018 0.089 0.000 1.758 56 C CB -0.937 26.872 27.740 0.114 0.000 1.972 56 C HN 0.638 nan 8.230 nan 0.000 0.522 57 R N -0.310 120.196 120.500 0.010 0.000 3.205 57 R HA -0.136 4.202 4.340 -0.004 0.000 0.249 57 R C -2.539 173.751 176.300 -0.016 0.000 0.937 57 R CA 0.287 56.383 56.100 -0.006 0.000 0.641 57 R CB -1.605 28.694 30.300 -0.002 0.000 1.114 57 R HN 0.441 nan 8.270 nan 0.000 0.451 58 P HA -0.013 nan 4.420 nan 0.000 0.272 58 P C 0.061 177.329 177.300 -0.053 0.000 1.230 58 P CA -0.242 62.830 63.100 -0.046 0.000 0.788 58 P CB 0.780 32.440 31.700 -0.068 0.000 0.949 59 R N 0.711 121.176 120.500 -0.059 0.000 2.115 59 R HA -0.084 4.254 4.340 -0.004 0.000 0.230 59 R C 0.725 176.985 176.300 -0.066 0.000 1.111 59 R CA 1.316 57.383 56.100 -0.055 0.000 0.976 59 R CB 0.294 30.563 30.300 -0.051 0.000 0.870 59 R HN 0.719 nan 8.270 nan 0.000 0.445 60 E N -2.229 117.914 120.200 -0.095 0.000 2.429 60 E HA 0.294 4.642 4.350 -0.004 0.000 0.280 60 E C -1.637 174.874 176.600 -0.149 0.000 1.068 60 E CA -1.050 55.287 56.400 -0.105 0.000 0.837 60 E CB 1.649 31.289 29.700 -0.100 0.000 1.357 60 E HN -0.137 nan 8.360 nan 0.000 0.455 61 V N 1.474 121.308 119.914 -0.133 0.000 2.531 61 V HA 0.497 4.615 4.120 -0.004 0.000 0.301 61 V C -0.728 175.286 176.094 -0.133 0.000 1.034 61 V CA -0.623 61.593 62.300 -0.140 0.000 0.865 61 V CB 1.202 32.970 31.823 -0.092 0.000 0.995 61 V HN 0.554 nan 8.190 nan 0.000 0.424 62 L N 5.106 126.231 121.223 -0.164 0.000 2.381 62 L HA 0.574 4.912 4.340 -0.004 0.000 0.274 62 L C -0.832 176.036 176.870 -0.004 0.000 0.988 62 L CA -0.720 54.065 54.840 -0.092 0.000 0.824 62 L CB 2.090 44.070 42.059 -0.132 0.000 1.263 62 L HN 0.482 nan 8.230 nan 0.000 0.410 63 L N 3.247 124.480 121.223 0.016 0.000 2.290 63 L HA 0.415 4.753 4.340 -0.004 0.000 0.284 63 L C -0.338 176.572 176.870 0.066 0.000 1.078 63 L CA 0.169 55.033 54.840 0.040 0.000 0.815 63 L CB 0.808 42.877 42.059 0.016 0.000 1.162 63 L HN 0.649 nan 8.230 nan 0.000 0.435 64 C N 3.961 123.314 119.300 0.088 0.000 2.536 64 C HA 0.376 4.834 4.460 -0.004 0.000 0.396 64 C C 1.098 176.116 174.990 0.046 0.000 1.279 64 C CA -0.260 58.804 59.018 0.077 0.000 2.148 64 C CB 0.332 28.118 27.740 0.077 0.000 2.584 64 C HN 0.940 nan 8.230 nan 0.000 0.579 65 D N -0.638 119.782 120.400 0.033 0.000 2.474 65 D HA 0.239 4.877 4.640 -0.004 0.000 0.213 65 D C 1.356 177.667 176.300 0.019 0.000 1.120 65 D CA 0.568 54.582 54.000 0.023 0.000 0.836 65 D CB -0.204 40.607 40.800 0.018 0.000 1.019 65 D HN 0.937 nan 8.370 nan 0.000 0.507 66 G N 0.596 109.404 108.800 0.015 0.000 2.155 66 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.257 66 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.257 66 G C 0.442 175.346 174.900 0.006 0.000 0.983 66 G CA 0.591 45.696 45.100 0.008 0.000 0.676 66 G HN 0.868 nan 8.290 nan 0.000 0.528 67 S N -1.010 114.695 115.700 0.007 0.000 2.614 67 S HA 0.546 5.014 4.470 -0.004 0.000 0.265 67 S C 1.169 175.773 174.600 0.007 0.000 1.303 67 S CA 0.512 58.718 58.200 0.010 0.000 1.000 67 S CB 2.018 65.225 63.200 0.012 0.000 0.935 67 S HN 0.442 nan 8.310 nan 0.000 0.551 68 E N 0.750 120.959 120.200 0.014 0.000 2.077 68 E HA -0.213 4.135 4.350 -0.004 0.000 0.193 68 E C 1.541 178.149 176.600 0.014 0.000 0.989 68 E CA 1.655 58.066 56.400 0.018 0.000 0.800 68 E CB -0.216 29.501 29.700 0.027 0.000 0.746 68 E HN 0.832 nan 8.360 nan 0.000 0.452 69 E N 0.812 121.020 120.200 0.015 0.000 2.077 69 E HA -0.230 4.117 4.350 -0.004 0.000 0.193 69 E C 1.919 178.521 176.600 0.003 0.000 0.989 69 E CA 1.413 57.820 56.400 0.013 0.000 0.800 69 E CB -0.240 29.469 29.700 0.015 0.000 0.746 69 E HN 0.392 nan 8.360 nan 0.000 0.452 70 E N 0.638 120.839 120.200 0.001 0.000 2.058 70 E HA -0.203 4.145 4.350 -0.004 0.000 0.194 70 E C 2.218 178.797 176.600 -0.034 0.000 0.997 70 E CA 1.468 57.864 56.400 -0.006 0.000 0.801 70 E CB -0.446 29.253 29.700 -0.001 0.000 0.746 70 E HN 0.300 nan 8.360 nan 0.000 0.450 71 G N 1.061 109.838 108.800 -0.039 0.000 2.446 71 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.217 71 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.217 71 G C 1.517 176.363 174.900 -0.090 0.000 1.168 71 G CA 1.161 46.219 45.100 -0.069 0.000 0.771 71 G HN 0.235 nan 8.290 nan 0.000 0.551 72 K N 0.184 120.557 120.400 -0.046 0.000 2.032 72 K HA -0.119 4.199 4.320 -0.004 0.000 0.209 72 K C 2.377 178.936 176.600 -0.068 0.000 1.048 72 K CA 1.403 57.665 56.287 -0.042 0.000 0.927 72 K CB -0.222 32.286 32.500 0.012 0.000 0.712 72 K HN 0.441 nan 8.250 nan 0.000 0.441 73 E N 1.097 121.272 120.200 -0.043 0.000 2.110 73 E HA -0.176 4.171 4.350 -0.004 0.000 0.193 73 E C 1.994 178.557 176.600 -0.062 0.000 0.988 73 E CA 0.791 57.171 56.400 -0.033 0.000 0.804 73 E CB 0.035 29.733 29.700 -0.003 0.000 0.745 73 E HN 0.216 nan 8.360 nan 0.000 0.458 74 L N 0.299 121.463 121.223 -0.098 0.000 2.027 74 L HA -0.184 4.154 4.340 -0.004 0.000 0.206 74 L C 2.538 179.284 176.870 -0.206 0.000 1.074 74 L CA 0.784 55.537 54.840 -0.146 0.000 0.745 74 L CB -0.380 41.564 42.059 -0.191 0.000 0.898 74 L HN 0.221 nan 8.230 nan 0.000 0.433 75 L N -0.529 120.515 121.223 -0.299 0.000 2.012 75 L HA -0.250 4.088 4.340 -0.004 0.000 0.210 75 L C 2.878 179.508 176.870 -0.399 0.000 1.073 75 L CA 1.469 55.989 54.840 -0.533 0.000 0.748 75 L CB -0.512 41.059 42.059 -0.813 0.000 0.891 75 L HN 0.202 nan 8.230 nan 0.000 0.431 76 R N -0.293 120.074 120.500 -0.221 0.000 2.073 76 R HA -0.127 4.211 4.340 -0.004 0.000 0.234 76 R C 2.395 178.653 176.300 -0.069 0.000 1.134 76 R CA 1.343 57.384 56.100 -0.099 0.000 0.952 76 R CB -0.847 29.432 30.300 -0.034 0.000 0.850 76 R HN 0.458 nan 8.270 nan 0.000 0.433 77 G N 1.016 109.776 108.800 -0.067 0.000 2.440 77 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.218 77 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.218 77 G C 1.427 176.303 174.900 -0.040 0.000 1.154 77 G CA 0.529 45.609 45.100 -0.033 0.000 0.767 77 G HN 0.134 nan 8.290 nan 0.000 0.552 78 L N -0.288 120.888 121.223 -0.078 0.000 2.093 78 L HA -0.078 4.260 4.340 -0.004 0.000 0.208 78 L C 2.980 179.821 176.870 -0.048 0.000 1.085 78 L CA 1.251 56.055 54.840 -0.059 0.000 0.755 78 L CB -0.348 41.667 42.059 -0.073 0.000 0.904 78 L HN 0.314 nan 8.230 nan 0.000 0.435 79 Q N 0.037 119.800 119.800 -0.061 0.000 2.084 79 Q HA -0.239 4.098 4.340 -0.004 0.000 0.202 79 Q C 1.700 177.704 176.000 0.007 0.000 0.978 79 Q CA 1.803 57.605 55.803 -0.001 0.000 0.844 79 Q CB 0.130 28.916 28.738 0.081 0.000 0.898 79 Q HN 0.423 nan 8.270 nan 0.000 0.426 80 D N 0.552 120.956 120.400 0.007 0.000 2.104 80 D HA -0.157 4.481 4.640 -0.004 0.000 0.194 80 D C 1.318 177.628 176.300 0.016 0.000 0.994 80 D CA 1.214 55.224 54.000 0.017 0.000 0.830 80 D CB -0.292 40.515 40.800 0.013 0.000 0.959 80 D HN 0.236 nan 8.370 nan 0.000 0.452 81 D N -0.984 119.420 120.400 0.006 0.000 2.348 81 D HA 0.026 4.664 4.640 -0.004 0.000 0.216 81 D C 1.269 177.581 176.300 0.021 0.000 0.970 81 D CA 0.996 55.004 54.000 0.012 0.000 0.889 81 D CB 0.134 40.937 40.800 0.004 0.000 0.912 81 D HN 0.319 nan 8.370 nan 0.000 0.524 82 G N -0.281 108.520 108.800 0.001 0.000 2.136 82 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.242 82 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.242 82 G C 1.182 176.060 174.900 -0.035 0.000 0.989 82 G CA 0.504 45.597 45.100 -0.012 0.000 0.682 82 G HN 0.312 nan 8.290 nan 0.000 0.522 83 V N -0.211 119.694 119.914 -0.014 0.000 2.446 83 V HA 0.294 4.412 4.120 -0.004 0.000 0.244 83 V C 1.632 177.758 176.094 0.053 0.000 1.039 83 V CA 1.456 63.809 62.300 0.090 0.000 1.045 83 V CB -0.051 31.837 31.823 0.108 0.000 0.681 83 V HN 0.397 nan 8.190 nan 0.000 0.459 84 L N -0.251 120.941 121.223 -0.051 0.000 2.331 84 L HA 0.537 4.875 4.340 -0.004 0.000 0.275 84 L C -0.841 175.933 176.870 -0.160 0.000 1.022 84 L CA -0.562 54.309 54.840 0.052 0.000 0.812 84 L CB 1.517 43.677 42.059 0.168 0.000 1.257 84 L HN 0.309 nan 8.230 nan 0.000 0.435 85 H N 1.638 120.946 119.070 0.397 0.000 2.538 85 H HA 0.409 4.963 4.556 -0.004 0.000 0.353 85 H C -2.409 173.114 175.328 0.325 0.000 1.109 85 H CA -1.809 54.430 56.048 0.319 0.000 1.192 85 H CB 1.505 31.394 29.762 0.212 0.000 1.555 85 H HN 0.336 nan 8.280 nan 0.000 0.518 86 P HA 0.117 nan 4.420 nan 0.000 0.274 86 P C -0.635 176.576 177.300 -0.148 0.000 1.237 86 P CA -0.423 62.542 63.100 -0.224 0.000 0.793 86 P CB 1.458 33.004 31.700 -0.256 0.000 0.977 87 L N 2.980 124.028 121.223 -0.291 0.000 2.457 87 L HA 0.280 4.618 4.340 -0.004 0.000 0.252 87 L C -1.428 175.290 176.870 -0.253 0.000 1.132 87 L CA -1.601 53.140 54.840 -0.165 0.000 0.938 87 L CB 1.667 43.747 42.059 0.036 0.000 1.246 87 L HN 0.211 nan 8.230 nan 0.000 0.476 88 P HA -0.167 nan 4.420 nan 0.000 0.225 88 P C 1.319 178.464 177.300 -0.257 0.000 1.148 88 P CA 0.867 63.835 63.100 -0.219 0.000 0.779 88 P CB 0.422 32.027 31.700 -0.159 0.000 0.780 89 K N -0.944 119.198 120.400 -0.429 0.000 2.209 89 K HA -0.104 4.214 4.320 -0.004 0.000 0.204 89 K C 0.522 176.818 176.600 -0.506 0.000 1.048 89 K CA 1.063 57.008 56.287 -0.570 0.000 0.940 89 K CB -0.260 31.692 32.500 -0.912 0.000 0.729 89 K HN 0.094 nan 8.250 nan 0.000 0.451 90 Y N -0.770 119.494 120.300 -0.060 0.000 2.699 90 Y HA 0.305 4.853 4.550 -0.003 0.000 0.326 90 Y C -0.399 175.480 175.900 -0.036 0.000 1.141 90 Y CA -2.170 55.913 58.100 -0.028 0.000 1.246 90 Y CB 0.249 38.718 38.460 0.015 0.000 1.426 90 Y HN -0.170 nan 8.280 nan 0.000 0.559 91 D N 1.058 121.570 120.400 0.187 0.000 2.467 91 D HA 0.119 4.757 4.640 -0.004 0.000 0.220 91 D C -0.374 175.992 176.300 0.110 0.000 1.103 91 D CA -0.134 53.929 54.000 0.105 0.000 0.886 91 D CB -0.473 40.384 40.800 0.095 0.000 1.025 91 D HN 0.613 nan 8.370 nan 0.000 0.514 92 N N 2.572 121.311 118.700 0.066 0.000 2.756 92 N HA -0.199 4.539 4.740 -0.004 0.000 0.248 92 N C -1.583 174.019 175.510 0.154 0.000 1.062 92 N CA 0.488 53.626 53.050 0.146 0.000 0.696 92 N CB -1.563 37.076 38.487 0.252 0.000 0.946 92 N HN 0.311 nan 8.380 nan 0.000 0.548 93 C N 0.193 119.447 119.300 -0.077 0.000 2.435 93 C HA 0.821 5.279 4.460 -0.004 0.000 0.333 93 C C -0.104 174.729 174.990 -0.262 0.000 1.202 93 C CA -0.534 58.545 59.018 0.102 0.000 1.830 93 C CB 0.440 28.407 27.740 0.378 0.000 2.326 93 C HN 0.523 nan 8.230 nan 0.000 0.507 94 W N 1.585 123.100 121.300 0.358 0.000 3.107 94 W HA 0.680 5.338 4.660 -0.004 0.000 0.331 94 W C -0.913 175.855 176.519 0.414 0.000 1.204 94 W CA -0.675 56.861 57.345 0.318 0.000 1.184 94 W CB 1.071 30.663 29.460 0.221 0.000 1.421 94 W HN 0.366 nan 8.180 nan 0.000 0.544 95 L N 2.617 124.203 121.223 0.606 0.000 2.356 95 L HA 0.928 5.265 4.340 -0.004 0.000 0.277 95 L C -0.650 176.553 176.870 0.555 0.000 0.996 95 L CA -0.774 54.392 54.840 0.544 0.000 0.822 95 L CB 1.133 43.443 42.059 0.417 0.000 1.256 95 L HN 0.516 nan 8.230 nan 0.000 0.413 96 A N 5.388 128.504 122.820 0.492 0.000 2.325 96 A HA 0.907 5.225 4.320 -0.004 0.000 0.333 96 A C -0.564 177.194 177.584 0.289 0.000 1.155 96 A CA -0.711 51.582 52.037 0.427 0.000 0.814 96 A CB 0.939 20.208 19.000 0.448 0.000 1.206 96 A HN 0.760 nan 8.150 nan 0.000 0.482 97 R N 0.475 121.124 120.500 0.248 0.000 2.599 97 R HA 0.610 4.947 4.340 -0.004 0.000 0.295 97 R C -0.466 175.787 176.300 -0.078 0.000 0.963 97 R CA -0.416 55.766 56.100 0.135 0.000 0.883 97 R CB 2.187 32.598 30.300 0.185 0.000 1.171 97 R HN 0.885 nan 8.270 nan 0.000 0.450 98 T N -2.133 112.244 114.554 -0.295 0.000 2.950 98 T HA 0.183 4.531 4.350 -0.004 0.000 0.288 98 T C 0.050 174.594 174.700 -0.260 0.000 1.035 98 T CA -0.954 60.642 62.100 -0.841 0.000 1.028 98 T CB 1.591 69.606 68.868 -1.423 0.000 1.109 98 T HN 0.407 nan 8.240 nan 0.000 0.514 99 D N 1.624 121.908 120.400 -0.193 0.000 2.533 99 D HA 0.070 4.708 4.640 -0.004 0.000 0.236 99 D C -1.430 174.901 176.300 0.052 0.000 1.137 99 D CA -1.392 52.642 54.000 0.057 0.000 0.867 99 D CB 1.271 42.206 40.800 0.225 0.000 1.170 99 D HN 0.245 nan 8.370 nan 0.000 0.474 100 P HA -0.074 nan 4.420 nan 0.000 0.223 100 P C 0.827 178.196 177.300 0.114 0.000 1.144 100 P CA 0.978 64.239 63.100 0.269 0.000 0.783 100 P CB 0.203 32.043 31.700 0.233 0.000 0.771 101 R N -1.229 119.314 120.500 0.071 0.000 2.299 101 R HA 0.047 4.385 4.340 -0.004 0.000 0.197 101 R C 0.358 176.666 176.300 0.012 0.000 0.971 101 R CA 0.494 56.621 56.100 0.044 0.000 1.030 101 R CB -0.123 30.215 30.300 0.064 0.000 0.932 101 R HN 0.076 nan 8.270 nan 0.000 0.477 102 D N 0.344 120.738 120.400 -0.011 0.000 2.607 102 D HA 0.062 4.700 4.640 -0.004 0.000 0.318 102 D C 0.432 176.583 176.300 -0.248 0.000 1.212 102 D CA -0.251 53.751 54.000 0.004 0.000 0.861 102 D CB 1.024 41.987 40.800 0.272 0.000 1.064 102 D HN -0.018 nan 8.370 nan 0.000 0.500 103 V N -0.769 118.813 119.914 -0.553 0.000 3.502 103 V HA 0.837 4.955 4.120 -0.004 0.000 0.288 103 V C 0.565 175.745 176.094 -1.523 0.000 1.461 103 V CA 0.399 62.002 62.300 -1.161 0.000 1.029 103 V CB -0.046 31.118 31.823 -1.099 0.000 0.843 103 V HN 0.340 nan 8.190 nan 0.000 0.438 104 A N 0.075 122.378 122.820 -0.862 0.000 2.557 104 A HA 0.753 5.071 4.320 -0.004 0.000 0.292 104 A C -0.559 176.972 177.584 -0.088 0.000 1.139 104 A CA -1.085 50.708 52.037 -0.406 0.000 0.665 104 A CB 0.970 19.836 19.000 -0.222 0.000 1.285 104 A HN 0.238 nan 8.150 nan 0.000 0.433 105 R N -0.581 119.950 120.500 0.052 0.000 2.694 105 R HA 0.422 4.759 4.340 -0.004 0.000 0.268 105 R C -0.976 175.337 176.300 0.022 0.000 1.061 105 R CA -0.016 56.142 56.100 0.098 0.000 1.133 105 R CB 0.528 30.911 30.300 0.139 0.000 1.020 105 R HN 0.376 nan 8.270 nan 0.000 0.475 106 V N 2.898 122.839 119.914 0.046 0.000 2.284 106 V HA 0.084 4.202 4.120 -0.004 0.000 0.274 106 V C 0.634 176.741 176.094 0.021 0.000 1.023 106 V CA -0.326 61.978 62.300 0.008 0.000 0.808 106 V CB 1.037 32.880 31.823 0.033 0.000 1.035 106 V HN 0.838 nan 8.190 nan 0.000 0.445 107 E N 2.132 122.316 120.200 -0.026 0.000 2.106 107 E HA -0.160 4.188 4.350 -0.004 0.000 0.192 107 E C 2.067 178.689 176.600 0.038 0.000 0.984 107 E CA 1.461 57.865 56.400 0.007 0.000 0.806 107 E CB 0.082 29.797 29.700 0.026 0.000 0.750 107 E HN 0.837 nan 8.360 nan 0.000 0.458 108 S N 0.637 116.352 115.700 0.024 0.000 2.507 108 S HA -0.046 4.422 4.470 -0.004 0.000 0.235 108 S C 1.457 176.092 174.600 0.058 0.000 0.988 108 S CA 0.706 58.933 58.200 0.045 0.000 0.944 108 S CB 0.005 63.224 63.200 0.032 0.000 0.762 108 S HN 0.086 nan 8.310 nan 0.000 0.526 109 K N 0.911 121.352 120.400 0.068 0.000 2.414 109 K HA 0.218 4.536 4.320 -0.004 0.000 0.204 109 K C -0.619 176.057 176.600 0.126 0.000 1.026 109 K CA -0.040 56.302 56.287 0.093 0.000 1.108 109 K CB 0.995 33.552 32.500 0.095 0.000 0.855 109 K HN 0.212 nan 8.250 nan 0.000 0.517 110 T N 1.683 116.313 114.554 0.126 0.000 2.794 110 T HA 0.397 4.745 4.350 -0.004 0.000 0.280 110 T C -0.406 174.393 174.700 0.165 0.000 0.987 110 T CA -0.700 61.508 62.100 0.179 0.000 0.993 110 T CB 1.579 70.554 68.868 0.178 0.000 0.939 110 T HN 0.011 nan 8.240 nan 0.000 0.449 111 V N 1.533 121.575 119.914 0.213 0.000 3.007 111 V HA 0.747 4.865 4.120 -0.004 0.000 0.311 111 V C -1.217 174.995 176.094 0.196 0.000 1.120 111 V CA -1.334 61.057 62.300 0.152 0.000 0.980 111 V CB 1.771 33.640 31.823 0.076 0.000 1.033 111 V HN 0.771 nan 8.190 nan 0.000 0.429 112 L N 3.086 124.383 121.223 0.124 0.000 2.287 112 L HA 0.648 4.986 4.340 -0.004 0.000 0.287 112 L C -0.620 176.273 176.870 0.039 0.000 1.022 112 L CA -0.824 54.091 54.840 0.125 0.000 0.814 112 L CB 1.848 44.003 42.059 0.160 0.000 1.217 112 L HN 0.553 nan 8.230 nan 0.000 0.420 113 V N 2.363 122.244 119.914 -0.054 0.000 2.318 113 V HA 0.486 4.604 4.120 -0.004 0.000 0.271 113 V C 0.274 176.376 176.094 0.014 0.000 1.030 113 V CA -0.283 61.922 62.300 -0.159 0.000 0.844 113 V CB 1.080 32.646 31.823 -0.428 0.000 1.015 113 V HN 0.906 nan 8.190 nan 0.000 0.460 114 T N 2.538 117.216 114.554 0.207 0.000 2.916 114 T HA 0.495 4.843 4.350 -0.004 0.000 0.305 114 T C -2.309 172.638 174.700 0.412 0.000 1.119 114 T CA -1.953 60.319 62.100 0.287 0.000 1.008 114 T CB 2.534 71.571 68.868 0.281 0.000 1.129 114 T HN 0.216 nan 8.240 nan 0.000 0.480 115 P HA -0.063 nan 4.420 nan 0.000 0.216 115 P C 0.160 177.609 177.300 0.248 0.000 1.157 115 P CA 1.333 64.565 63.100 0.220 0.000 0.880 115 P CB 0.159 31.928 31.700 0.115 0.000 0.791 116 E N -0.896 119.378 120.200 0.123 0.000 2.158 116 E HA 0.087 4.435 4.350 -0.004 0.000 0.271 116 E C 0.697 177.070 176.600 -0.379 0.000 0.911 116 E CA -0.368 55.977 56.400 -0.091 0.000 0.767 116 E CB 1.296 30.947 29.700 -0.083 0.000 1.120 116 E HN 0.144 nan 8.360 nan 0.000 0.405 117 Q N 2.361 121.551 119.800 -1.017 0.000 2.077 117 Q HA -0.217 4.121 4.340 -0.004 0.000 0.206 117 Q C 1.668 177.271 176.000 -0.662 0.000 0.989 117 Q CA 2.452 57.286 55.803 -1.614 0.000 0.853 117 Q CB 0.075 27.840 28.738 -1.623 0.000 0.907 117 Q HN 0.563 nan 8.270 nan 0.000 0.418 118 S N -0.015 115.434 115.700 -0.419 0.000 2.440 118 S HA -0.172 4.296 4.470 -0.004 0.000 0.238 118 S C 1.270 175.788 174.600 -0.136 0.000 1.010 118 S CA 1.358 59.419 58.200 -0.231 0.000 0.972 118 S CB -0.252 62.844 63.200 -0.173 0.000 0.774 118 S HN 0.395 nan 8.310 nan 0.000 0.501 119 D N 1.861 122.194 120.400 -0.112 0.000 2.219 119 D HA 0.124 4.762 4.640 -0.004 0.000 0.205 119 D C 2.062 178.389 176.300 0.045 0.000 0.970 119 D CA 1.288 55.282 54.000 -0.011 0.000 0.851 119 D CB -0.275 40.531 40.800 0.011 0.000 0.943 119 D HN 0.624 nan 8.370 nan 0.000 0.488 120 A N 0.246 123.071 122.820 0.008 0.000 1.924 120 A HA 0.227 4.545 4.320 -0.004 0.000 0.211 120 A C 1.023 178.598 177.584 -0.015 0.000 1.198 120 A CA 0.656 52.740 52.037 0.079 0.000 0.657 120 A CB 0.330 19.475 19.000 0.243 0.000 0.852 120 A HN 0.117 nan 8.150 nan 0.000 0.454 121 V N -4.882 114.975 119.914 -0.094 0.000 3.087 121 V HA 0.630 4.747 4.120 -0.004 0.000 0.306 121 V C -3.456 172.520 176.094 -0.197 0.000 1.187 121 V CA -2.712 59.495 62.300 -0.154 0.000 0.999 121 V CB 1.640 33.409 31.823 -0.090 0.000 1.049 121 V HN 0.049 nan 8.190 nan 0.000 0.431 122 P HA 0.401 nan 4.420 nan 0.000 0.274 122 P C -2.820 174.369 177.300 -0.185 0.000 1.260 122 P CA -1.374 61.591 63.100 -0.225 0.000 0.793 122 P CB -0.591 30.913 31.700 -0.328 0.000 1.048 123 P HA 0.084 nan 4.420 nan 0.000 0.264 123 P C -2.245 174.988 177.300 -0.113 0.000 1.183 123 P CA -0.352 62.677 63.100 -0.119 0.000 0.763 123 P CB -1.214 30.433 31.700 -0.088 0.000 0.807 124 P HA 0.048 nan 4.420 nan 0.000 0.265 124 P C -2.293 174.972 177.300 -0.059 0.000 1.187 124 P CA -0.612 62.451 63.100 -0.062 0.000 0.766 124 P CB -0.874 30.807 31.700 -0.032 0.000 0.820 125 P HA 0.039 nan 4.420 nan 0.000 0.262 125 P C -1.915 175.366 177.300 -0.032 0.000 1.199 125 P CA -0.861 62.207 63.100 -0.054 0.000 0.763 125 P CB -0.302 31.369 31.700 -0.047 0.000 0.790 126 P HA -0.120 nan 4.420 nan 0.000 0.219 126 P C 1.068 178.361 177.300 -0.011 0.000 1.146 126 P CA 1.439 64.528 63.100 -0.019 0.000 0.808 126 P CB -0.010 31.679 31.700 -0.018 0.000 0.779 127 S N -1.910 113.784 115.700 -0.011 0.000 2.607 127 S HA 0.194 4.661 4.470 -0.004 0.000 0.224 127 S C 1.686 176.285 174.600 -0.001 0.000 0.969 127 S CA 0.938 59.135 58.200 -0.004 0.000 0.927 127 S CB -0.800 62.399 63.200 -0.003 0.000 0.772 127 S HN 0.357 nan 8.310 nan 0.000 0.533 128 G N 0.892 109.691 108.800 -0.003 0.000 2.195 128 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.246 128 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.246 128 G C 0.424 175.328 174.900 0.007 0.000 0.984 128 G CA -0.174 44.927 45.100 0.003 0.000 0.633 128 G HN 0.815 nan 8.290 nan 0.000 0.525 129 G N 0.618 109.421 108.800 0.005 0.000 2.699 129 G HA2 0.480 4.438 3.960 -0.004 0.000 0.246 129 G HA3 0.480 4.438 3.960 -0.004 0.000 0.246 129 G C -1.605 173.303 174.900 0.012 0.000 1.219 129 G CA -0.041 45.066 45.100 0.011 0.000 0.866 129 G HN 0.320 nan 8.290 nan 0.000 0.572 130 P HA 0.209 nan 4.420 nan 0.000 0.271 130 P C -2.216 175.095 177.300 0.018 0.000 1.216 130 P CA -1.021 62.096 63.100 0.028 0.000 0.776 130 P CB 0.340 32.065 31.700 0.041 0.000 0.881 131 P HA 0.031 nan 4.420 nan 0.000 0.268 131 P C -0.026 177.274 177.300 -0.000 0.000 1.205 131 P CA 0.258 63.353 63.100 -0.008 0.000 0.771 131 P CB 0.681 32.385 31.700 0.007 0.000 0.858 132 Q N 1.335 121.117 119.800 -0.031 0.000 2.217 132 Q HA 0.256 4.594 4.340 -0.004 0.000 0.217 132 Q C 0.728 176.732 176.000 0.006 0.000 0.844 132 Q CA 0.212 56.021 55.803 0.009 0.000 0.957 132 Q CB 0.522 29.291 28.738 0.052 0.000 1.127 132 Q HN 0.511 nan 8.270 nan 0.000 0.503 133 L N -0.502 120.684 121.223 -0.061 0.000 3.267 133 L HA 0.502 4.840 4.340 -0.004 0.000 0.289 133 L C 0.222 177.085 176.870 -0.012 0.000 1.260 133 L CA -0.314 54.484 54.840 -0.070 0.000 1.034 133 L CB 1.197 43.032 42.059 -0.374 0.000 1.413 133 L HN 0.111 nan 8.230 nan 0.000 0.594 134 G N 0.189 109.002 108.800 0.022 0.000 2.375 134 G HA2 -0.115 3.843 3.960 -0.004 0.000 0.663 134 G HA3 -0.115 3.843 3.960 -0.004 0.000 0.663 134 G C -1.477 173.460 174.900 0.061 0.000 1.391 134 G CA -0.985 44.143 45.100 0.046 0.000 0.949 134 G HN 0.210 nan 8.290 nan 0.000 0.646 135 N N 0.086 118.841 118.700 0.091 0.000 2.476 135 N HA 0.465 5.203 4.740 -0.004 0.000 0.257 135 N C -0.473 175.137 175.510 0.167 0.000 0.970 135 N CA -0.523 52.596 53.050 0.116 0.000 0.938 135 N CB 1.575 40.116 38.487 0.090 0.000 1.144 135 N HN 0.672 nan 8.380 nan 0.000 0.500 136 W N 4.725 126.033 121.300 0.015 0.000 2.218 136 W HA 0.393 5.051 4.660 -0.004 0.000 0.326 136 W C -0.656 175.886 176.519 0.038 0.000 1.276 136 W CA -0.545 56.812 57.345 0.020 0.000 1.210 136 W CB 0.585 30.048 29.460 0.004 0.000 1.143 136 W HN 0.312 nan 8.180 nan 0.000 0.563 137 M N 6.436 125.569 119.600 -0.777 0.000 2.327 137 M HA 0.296 4.774 4.480 -0.004 0.000 0.298 137 M C -0.174 175.340 176.300 -1.309 0.000 1.065 137 M CA -0.567 54.214 55.300 -0.865 0.000 0.916 137 M CB 1.542 33.957 32.600 -0.307 0.000 1.630 137 M HN 0.541 nan 8.290 nan 0.000 0.442 138 S N 4.219 119.127 115.700 -1.319 0.000 2.579 138 S HA 0.342 4.810 4.470 -0.004 0.000 0.275 138 S C -2.269 172.194 174.600 -0.228 0.000 1.345 138 S CA -0.790 56.973 58.200 -0.728 0.000 1.031 138 S CB 0.456 63.431 63.200 -0.374 0.000 0.892 138 S HN 0.619 nan 8.310 nan 0.000 0.529 139 P HA -0.115 nan 4.420 nan 0.000 0.216 139 P C 0.689 178.045 177.300 0.093 0.000 1.153 139 P CA 1.575 64.725 63.100 0.083 0.000 0.858 139 P CB -0.205 31.549 31.700 0.090 0.000 0.789 140 N N -0.434 118.287 118.700 0.034 0.000 2.142 140 N HA -0.102 4.636 4.740 -0.004 0.000 0.186 140 N C 1.761 177.261 175.510 -0.015 0.000 1.023 140 N CA 1.391 54.448 53.050 0.013 0.000 0.852 140 N CB -1.079 37.417 38.487 0.015 0.000 0.998 140 N HN 0.053 nan 8.380 nan 0.000 0.424 141 A N 0.383 123.178 122.820 -0.041 0.000 1.933 141 A HA -0.115 4.203 4.320 -0.004 0.000 0.218 141 A C 2.004 179.580 177.584 -0.014 0.000 1.175 141 A CA 0.986 52.991 52.037 -0.054 0.000 0.628 141 A CB -0.897 18.035 19.000 -0.113 0.000 0.814 141 A HN 0.351 nan 8.150 nan 0.000 0.444 142 F N 0.669 120.546 119.950 -0.121 0.000 2.084 142 F HA -0.174 4.351 4.527 -0.004 0.000 0.296 142 F C 2.484 178.249 175.800 -0.057 0.000 1.111 142 F CA 2.071 60.018 58.000 -0.087 0.000 1.224 142 F CB -0.435 38.511 39.000 -0.089 0.000 0.991 142 F HN 0.205 nan 8.300 nan 0.000 0.471 143 Q N 0.774 120.406 119.800 -0.279 0.000 2.077 143 Q HA -0.248 4.090 4.340 -0.004 0.000 0.206 143 Q C 2.505 178.342 176.000 -0.271 0.000 0.989 143 Q CA 1.848 57.456 55.803 -0.326 0.000 0.853 143 Q CB -1.244 27.427 28.738 -0.112 0.000 0.907 143 Q HN 0.575 nan 8.270 nan 0.000 0.418 144 A N 1.144 123.862 122.820 -0.170 0.000 1.883 144 A HA -0.122 4.196 4.320 -0.004 0.000 0.217 144 A C 2.387 179.875 177.584 -0.160 0.000 1.186 144 A CA 2.143 54.101 52.037 -0.131 0.000 0.624 144 A CB -0.798 18.153 19.000 -0.082 0.000 0.822 144 A HN 0.402 nan 8.150 nan 0.000 0.444 145 A N -0.735 121.976 122.820 -0.181 0.000 1.940 145 A HA -0.019 4.298 4.320 -0.004 0.000 0.219 145 A C 2.258 179.708 177.584 -0.224 0.000 1.176 145 A CA 1.890 53.825 52.037 -0.170 0.000 0.631 145 A CB -0.896 18.043 19.000 -0.103 0.000 0.814 145 A HN 0.389 nan 8.150 nan 0.000 0.446 146 V N -0.188 119.523 119.914 -0.337 0.000 2.270 146 V HA -0.224 3.894 4.120 -0.004 0.000 0.245 146 V C 2.634 178.662 176.094 -0.110 0.000 1.043 146 V CA 1.932 64.093 62.300 -0.232 0.000 1.014 146 V CB -0.685 30.828 31.823 -0.516 0.000 0.645 146 V HN 0.532 nan 8.190 nan 0.000 0.447 147 Q N -0.290 119.418 119.800 -0.155 0.000 2.297 147 Q HA -0.181 4.157 4.340 -0.004 0.000 0.208 147 Q C 2.086 178.026 176.000 -0.099 0.000 0.981 147 Q CA 1.075 56.818 55.803 -0.100 0.000 0.876 147 Q CB -0.227 28.453 28.738 -0.097 0.000 0.921 147 Q HN 0.637 nan 8.270 nan 0.000 0.446 148 E N -0.370 119.747 120.200 -0.138 0.000 2.385 148 E HA 0.009 4.357 4.350 -0.004 0.000 0.194 148 E C 1.546 178.010 176.600 -0.227 0.000 1.013 148 E CA 0.316 56.628 56.400 -0.147 0.000 0.866 148 E CB 0.300 29.922 29.700 -0.131 0.000 0.832 148 E HN 0.315 nan 8.360 nan 0.000 0.500 149 R N -1.253 119.027 120.500 -0.366 0.000 2.167 149 R HA 0.209 4.547 4.340 -0.004 0.000 0.195 149 R C 1.921 177.862 176.300 -0.600 0.000 1.027 149 R CA 0.155 55.760 56.100 -0.824 0.000 1.114 149 R CB -0.040 29.221 30.300 -1.733 0.000 1.075 149 R HN 0.007 nan 8.270 nan 0.000 0.538 150 F N 1.538 121.298 119.950 -0.316 0.000 2.335 150 F HA 0.125 4.650 4.527 -0.003 0.000 0.296 150 F C -1.376 174.416 175.800 -0.013 0.000 1.091 150 F CA -0.449 57.514 58.000 -0.062 0.000 1.399 150 F CB -0.807 38.162 39.000 -0.053 0.000 1.067 150 F HN -0.210 nan 8.300 nan 0.000 0.520 151 P HA 0.060 nan 4.420 nan 0.000 0.260 151 P C 0.681 178.009 177.300 0.047 0.000 1.185 151 P CA 1.402 64.537 63.100 0.059 0.000 0.763 151 P CB 0.079 31.788 31.700 0.015 0.000 0.776 152 G N 3.175 112.004 108.800 0.048 0.000 2.187 152 G HA2 -0.394 3.564 3.960 -0.004 0.000 0.261 152 G HA3 -0.394 3.564 3.960 -0.004 0.000 0.261 152 G C 1.103 176.024 174.900 0.036 0.000 1.000 152 G CA 0.388 45.507 45.100 0.032 0.000 0.718 152 G HN 0.706 nan 8.290 nan 0.000 0.519 153 C N -1.749 117.592 119.300 0.068 0.000 2.437 153 C HA 0.451 4.909 4.460 -0.004 0.000 0.283 153 C C 2.316 177.306 174.990 0.000 0.000 1.424 153 C CA 1.257 60.309 59.018 0.056 0.000 1.782 153 C CB -0.598 27.222 27.740 0.133 0.000 1.833 153 C HN 0.493 nan 8.230 nan 0.000 0.532 154 M N 1.295 120.902 119.600 0.013 0.000 2.419 154 M HA 0.300 4.778 4.480 -0.004 0.000 0.252 154 M C 1.084 177.371 176.300 -0.021 0.000 1.143 154 M CA -0.046 55.246 55.300 -0.014 0.000 0.985 154 M CB -0.020 32.580 32.600 -0.001 0.000 1.489 154 M HN 0.364 nan 8.290 nan 0.000 0.484 155 A N 0.807 123.619 122.820 -0.015 0.000 2.584 155 A HA 0.334 4.652 4.320 -0.004 0.000 0.239 155 A C 1.476 179.045 177.584 -0.025 0.000 1.043 155 A CA 1.095 53.121 52.037 -0.018 0.000 0.756 155 A CB -0.592 18.401 19.000 -0.012 0.000 0.963 155 A HN 0.886 nan 8.150 nan 0.000 0.511 156 G N 2.227 111.011 108.800 -0.027 0.000 2.184 156 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.264 156 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.264 156 G C 0.335 175.215 174.900 -0.033 0.000 0.975 156 G CA 0.837 45.921 45.100 -0.027 0.000 0.642 156 G HN 1.002 nan 8.290 nan 0.000 0.536 157 R N 0.233 120.709 120.500 -0.040 0.000 2.778 157 R HA 0.541 4.879 4.340 -0.004 0.000 0.277 157 R C -2.862 173.388 176.300 -0.083 0.000 0.977 157 R CA -2.140 53.934 56.100 -0.043 0.000 0.950 157 R CB 1.753 32.035 30.300 -0.030 0.000 1.165 157 R HN 0.039 nan 8.270 nan 0.000 0.474 158 P HA 0.086 nan 4.420 nan 0.000 0.275 158 P C -0.946 176.162 177.300 -0.321 0.000 1.228 158 P CA -0.391 62.523 63.100 -0.310 0.000 0.786 158 P CB 0.630 31.982 31.700 -0.580 0.000 0.927 159 L N 3.860 124.907 121.223 -0.292 0.000 2.264 159 L HA 0.427 4.765 4.340 -0.004 0.000 0.289 159 L C -1.073 175.637 176.870 -0.267 0.000 1.044 159 L CA -0.621 54.114 54.840 -0.175 0.000 0.807 159 L CB 0.092 42.096 42.059 -0.093 0.000 1.192 159 L HN 0.273 nan 8.230 nan 0.000 0.425 160 Y N 3.886 124.192 120.300 0.009 0.000 2.320 160 Y HA 0.447 4.995 4.550 -0.004 0.000 0.334 160 Y C 0.026 175.942 175.900 0.027 0.000 1.055 160 Y CA -0.650 57.457 58.100 0.012 0.000 1.143 160 Y CB 1.745 40.212 38.460 0.012 0.000 1.193 160 Y HN 0.211 nan 8.280 nan 0.000 0.477 161 V N 5.763 125.772 119.914 0.160 0.000 2.350 161 V HA 0.325 4.443 4.120 -0.004 0.000 0.276 161 V C -0.163 176.013 176.094 0.137 0.000 1.028 161 V CA -0.702 61.670 62.300 0.121 0.000 0.860 161 V CB 0.749 32.607 31.823 0.057 0.000 0.990 161 V HN 0.582 nan 8.190 nan 0.000 0.453 162 I N 7.556 128.227 120.570 0.168 0.000 2.388 162 I HA 0.346 4.514 4.170 -0.004 0.000 0.281 162 I C -2.539 173.724 176.117 0.244 0.000 1.046 162 I CA -1.928 59.477 61.300 0.175 0.000 1.187 162 I CB 1.683 39.770 38.000 0.144 0.000 1.351 162 I HN 0.411 nan 8.210 nan 0.000 0.472 163 P HA 0.264 nan 4.420 nan 0.000 0.281 163 P C -0.934 176.465 177.300 0.166 0.000 1.252 163 P CA -0.002 63.138 63.100 0.066 0.000 0.778 163 P CB 0.375 32.062 31.700 -0.023 0.000 0.895 164 F N -0.282 119.663 119.950 -0.008 0.000 2.626 164 F HA 0.813 5.338 4.527 -0.003 0.000 0.311 164 F C -0.902 174.919 175.800 0.036 0.000 1.088 164 F CA -1.272 56.736 58.000 0.013 0.000 0.949 164 F CB 1.338 40.353 39.000 0.024 0.000 1.322 164 F HN 0.177 nan 8.300 nan 0.000 0.461 165 S N 2.402 118.209 115.700 0.178 0.000 2.521 165 S HA 0.734 5.202 4.470 -0.004 0.000 0.295 165 S C -1.061 173.680 174.600 0.234 0.000 1.098 165 S CA -0.802 57.461 58.200 0.105 0.000 0.999 165 S CB 0.985 64.216 63.200 0.051 0.000 1.034 165 S HN 0.616 nan 8.310 nan 0.000 0.483 166 M N 3.836 123.589 119.600 0.255 0.000 2.088 166 M HA 0.495 4.972 4.480 -0.004 0.000 0.346 166 M C 0.715 177.043 176.300 0.047 0.000 1.111 166 M CA 0.037 55.445 55.300 0.180 0.000 1.017 166 M CB -0.203 32.593 32.600 0.327 0.000 1.568 166 M HN 1.056 nan 8.290 nan 0.000 0.445 167 G N 5.661 114.419 108.800 -0.071 0.000 2.758 167 G HA2 -0.081 3.876 3.960 -0.004 0.000 0.686 167 G HA3 -0.081 3.876 3.960 -0.004 0.000 0.686 167 G C -3.236 171.629 174.900 -0.059 0.000 1.389 167 G CA -1.363 43.687 45.100 -0.083 0.000 0.845 167 G HN 0.419 nan 8.290 nan 0.000 0.572 168 P HA 0.233 nan 4.420 nan 0.000 0.265 168 P C -1.904 175.367 177.300 -0.048 0.000 1.193 168 P CA -0.895 62.146 63.100 -0.098 0.000 0.765 168 P CB 0.550 32.164 31.700 -0.142 0.000 0.823 169 P HA 0.174 nan 4.420 nan 0.000 0.248 169 P C 0.428 177.713 177.300 -0.025 0.000 1.708 169 P CA 0.542 63.631 63.100 -0.018 0.000 1.062 169 P CB -0.675 31.018 31.700 -0.010 0.000 1.562 170 T N -1.923 112.611 114.554 -0.034 0.000 2.539 170 T HA -0.135 4.213 4.350 -0.004 0.000 0.191 170 T C 0.650 175.329 174.700 -0.035 0.000 1.588 170 T CA 0.690 62.764 62.100 -0.043 0.000 1.330 170 T CB -1.914 nan 68.868 nan 0.000 2.577 170 T HN 0.046 nan 8.240 nan 0.000 0.241 171 S N 0.192 115.871 115.700 -0.035 0.000 3.829 171 S HA 0.548 5.016 4.470 -0.004 0.000 0.201 171 S C -1.737 172.835 174.600 -0.047 0.000 1.005 171 S CA 1.140 59.311 58.200 -0.047 0.000 0.935 171 S CB -0.372 62.801 63.200 -0.045 0.000 1.181 171 S HN 1.075 nan 8.310 nan 0.000 0.622 172 P HA 0.380 nan 4.420 nan 0.000 0.323 172 P C -1.072 176.190 177.300 -0.063 0.000 1.309 172 P CA -0.464 62.609 63.100 -0.045 0.000 0.739 172 P CB 0.262 31.933 31.700 -0.049 0.000 1.454 173 L N 0.137 121.308 121.223 -0.087 0.000 2.422 173 L HA 0.394 4.731 4.340 -0.004 0.000 0.256 173 L C 0.442 177.315 176.870 0.006 0.000 1.202 173 L CA -0.418 54.359 54.840 -0.105 0.000 1.119 173 L CB -1.158 40.740 42.059 -0.269 0.000 1.383 173 L HN 0.373 nan 8.230 nan 0.000 0.411 174 A N 3.973 126.824 122.820 0.050 0.000 2.371 174 A HA 0.476 4.793 4.320 -0.004 0.000 0.257 174 A C 0.367 178.062 177.584 0.184 0.000 1.089 174 A CA -0.278 51.843 52.037 0.140 0.000 0.794 174 A CB 0.579 19.618 19.000 0.065 0.000 1.029 174 A HN 0.547 nan 8.150 nan 0.000 0.488 175 K N 2.249 122.858 120.400 0.349 0.000 2.345 175 K HA 0.565 4.883 4.320 -0.004 0.000 0.255 175 K C -1.181 175.581 176.600 0.270 0.000 0.934 175 K CA -0.357 56.149 56.287 0.364 0.000 0.801 175 K CB 1.841 34.717 32.500 0.625 0.000 1.137 175 K HN 0.622 nan 8.250 nan 0.000 0.424 176 L N 0.932 122.191 121.223 0.061 0.000 2.352 176 L HA 0.717 5.055 4.340 -0.004 0.000 0.269 176 L C 0.601 177.226 176.870 -0.407 0.000 1.034 176 L CA -0.831 53.908 54.840 -0.169 0.000 0.806 176 L CB 1.664 43.650 42.059 -0.122 0.000 1.244 176 L HN 0.792 nan 8.230 nan 0.000 0.447 177 G N 0.195 108.470 108.800 -0.875 0.000 2.695 177 G HA2 0.619 4.577 3.960 -0.004 0.000 0.290 177 G HA3 0.619 4.577 3.960 -0.004 0.000 0.290 177 G C -1.889 172.619 174.900 -0.654 0.000 1.410 177 G CA -0.383 44.160 45.100 -0.928 0.000 0.844 177 G HN 0.272 nan 8.290 nan 0.000 0.478 178 V N 0.513 120.381 119.914 -0.077 0.000 2.443 178 V HA 0.498 4.616 4.120 -0.004 0.000 0.293 178 V C -0.284 176.099 176.094 0.481 0.000 1.021 178 V CA -0.600 61.800 62.300 0.168 0.000 0.848 178 V CB 1.398 33.270 31.823 0.081 0.000 0.998 178 V HN 0.817 nan 8.190 nan 0.000 0.424 179 Q N 3.689 123.813 119.800 0.541 0.000 2.307 179 Q HA 0.694 5.032 4.340 -0.004 0.000 0.262 179 Q C -0.802 175.391 176.000 0.323 0.000 0.961 179 Q CA -0.585 55.473 55.803 0.425 0.000 0.882 179 Q CB 2.078 30.958 28.738 0.238 0.000 1.264 179 Q HN 0.779 nan 8.270 nan 0.000 0.446 180 V N 1.063 121.170 119.914 0.321 0.000 2.532 180 V HA 0.877 4.995 4.120 -0.004 0.000 0.295 180 V C -0.375 175.863 176.094 0.241 0.000 1.041 180 V CA -0.263 62.158 62.300 0.201 0.000 0.926 180 V CB 1.556 33.402 31.823 0.038 0.000 0.992 180 V HN 0.808 nan 8.190 nan 0.000 0.457 181 T N 1.601 116.299 114.554 0.241 0.000 2.853 181 T HA 0.436 4.784 4.350 -0.004 0.000 0.311 181 T C -0.557 174.312 174.700 0.282 0.000 1.307 181 T CA 0.207 62.489 62.100 0.303 0.000 1.019 181 T CB 1.951 71.014 68.868 0.326 0.000 1.264 181 T HN 1.019 nan 8.240 nan 0.000 0.497 182 D N 0.955 121.480 120.400 0.209 0.000 2.368 182 D HA 0.234 4.872 4.640 -0.004 0.000 0.218 182 D C 0.335 176.747 176.300 0.188 0.000 1.112 182 D CA -0.179 53.926 54.000 0.175 0.000 0.834 182 D CB 0.286 41.105 40.800 0.031 0.000 0.953 182 D HN 0.249 nan 8.370 nan 0.000 0.505 183 S N 0.680 116.484 115.700 0.173 0.000 2.566 183 S HA 0.417 4.884 4.470 -0.004 0.000 0.324 183 S C -1.985 172.556 174.600 -0.097 0.000 1.081 183 S CA -1.520 56.706 58.200 0.044 0.000 1.105 183 S CB 1.640 64.878 63.200 0.063 0.000 0.981 183 S HN -0.261 nan 8.310 nan 0.000 0.464 184 P HA -0.109 nan 4.420 nan 0.000 0.218 184 P C 0.985 178.164 177.300 -0.200 0.000 1.148 184 P CA 0.853 63.721 63.100 -0.387 0.000 0.822 184 P CB -0.103 31.443 31.700 -0.257 0.000 0.784 185 Y N 0.385 120.571 120.300 -0.190 0.000 2.181 185 Y HA -0.211 4.337 4.550 -0.003 0.000 0.288 185 Y C 2.023 177.851 175.900 -0.121 0.000 1.146 185 Y CA 1.398 59.432 58.100 -0.110 0.000 1.164 185 Y CB -0.891 37.544 38.460 -0.041 0.000 0.982 185 Y HN -0.283 nan 8.280 nan 0.000 0.515 186 V N -0.689 119.219 119.914 -0.011 0.000 2.358 186 V HA -0.296 3.822 4.120 -0.004 0.000 0.246 186 V C 2.341 178.298 176.094 -0.227 0.000 1.047 186 V CA 1.631 63.846 62.300 -0.141 0.000 1.035 186 V CB -0.746 31.008 31.823 -0.117 0.000 0.658 186 V HN 0.386 nan 8.190 nan 0.000 0.452 187 V N -0.165 119.609 119.914 -0.232 0.000 2.255 187 V HA -0.296 3.822 4.120 -0.004 0.000 0.247 187 V C 2.330 178.283 176.094 -0.235 0.000 1.051 187 V CA 2.153 64.305 62.300 -0.246 0.000 1.018 187 V CB -0.601 30.998 31.823 -0.373 0.000 0.641 187 V HN 0.434 nan 8.190 nan 0.000 0.445 188 L N -0.204 120.861 121.223 -0.264 0.000 2.046 188 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 188 L C 2.623 179.345 176.870 -0.247 0.000 1.077 188 L CA 1.743 56.440 54.840 -0.239 0.000 0.747 188 L CB -0.536 41.372 42.059 -0.252 0.000 0.896 188 L HN 0.323 nan 8.230 nan 0.000 0.432 189 S N -0.817 114.678 115.700 -0.342 0.000 2.383 189 S HA -0.106 4.361 4.470 -0.004 0.000 0.227 189 S C 1.970 176.412 174.600 -0.263 0.000 1.026 189 S CA 1.064 59.063 58.200 -0.334 0.000 0.981 189 S CB -0.086 62.826 63.200 -0.481 0.000 0.818 189 S HN 0.276 nan 8.310 nan 0.000 0.472 190 M N 1.164 120.607 119.600 -0.261 0.000 2.229 190 M HA 0.023 4.501 4.480 -0.004 0.000 0.264 190 M C 2.031 178.230 176.300 -0.167 0.000 1.063 190 M CA 1.231 56.382 55.300 -0.249 0.000 1.114 190 M CB -0.977 31.459 32.600 -0.273 0.000 1.387 190 M HN 0.243 nan 8.290 nan 0.000 0.420 191 R N -0.110 120.308 120.500 -0.136 0.000 2.115 191 R HA -0.035 4.303 4.340 -0.004 0.000 0.230 191 R C 2.126 178.387 176.300 -0.067 0.000 1.111 191 R CA 1.080 57.131 56.100 -0.081 0.000 0.976 191 R CB -0.268 29.985 30.300 -0.078 0.000 0.870 191 R HN 0.334 nan 8.270 nan 0.000 0.445 192 I N -0.097 120.419 120.570 -0.090 0.000 2.333 192 I HA -0.191 3.977 4.170 -0.004 0.000 0.246 192 I C 1.926 177.994 176.117 -0.080 0.000 1.106 192 I CA 0.903 62.160 61.300 -0.072 0.000 1.411 192 I CB 0.024 37.982 38.000 -0.071 0.000 1.082 192 I HN 0.128 nan 8.210 nan 0.000 0.420 193 M N -0.084 119.451 119.600 -0.110 0.000 2.509 193 M HA 0.117 4.594 4.480 -0.004 0.000 0.250 193 M C 0.898 177.146 176.300 -0.086 0.000 1.132 193 M CA 0.610 55.839 55.300 -0.118 0.000 1.080 193 M CB -0.796 31.703 32.600 -0.168 0.000 1.408 193 M HN 0.300 nan 8.290 nan 0.000 0.484 194 T N -1.683 112.835 114.554 -0.060 0.000 2.838 194 T HA 0.660 5.008 4.350 -0.004 0.000 0.292 194 T C -0.504 174.228 174.700 0.053 0.000 1.113 194 T CA -0.973 61.138 62.100 0.019 0.000 1.008 194 T CB 2.152 71.043 68.868 0.038 0.000 1.259 194 T HN -0.024 nan 8.240 nan 0.000 0.520 195 R N 0.460 121.020 120.500 0.099 0.000 2.267 195 R HA 0.663 5.001 4.340 -0.004 0.000 0.319 195 R C -0.872 175.492 176.300 0.108 0.000 1.067 195 R CA -0.293 55.854 56.100 0.078 0.000 0.936 195 R CB 0.839 31.172 30.300 0.056 0.000 1.006 195 R HN 0.550 nan 8.270 nan 0.000 0.452 196 V N 1.825 121.781 119.914 0.070 0.000 2.638 196 V HA 0.674 4.792 4.120 -0.004 0.000 0.306 196 V C 0.613 176.730 176.094 0.039 0.000 1.052 196 V CA -0.497 61.845 62.300 0.070 0.000 0.885 196 V CB 2.038 33.894 31.823 0.054 0.000 0.999 196 V HN 0.930 nan 8.190 nan 0.000 0.424 197 G N 4.344 113.164 108.800 0.032 0.000 4.189 197 G HA2 0.197 4.155 3.960 -0.004 0.000 0.220 197 G HA3 0.197 4.155 3.960 -0.004 0.000 0.220 197 G C -1.813 173.094 174.900 0.011 0.000 1.071 197 G CA 0.305 45.425 45.100 0.033 0.000 0.854 197 G HN 0.638 nan 8.290 nan 0.000 0.426 198 P HA 0.154 nan 4.420 nan 0.000 0.216 198 P C 2.073 179.369 177.300 -0.006 0.000 1.151 198 P CA 1.499 64.599 63.100 -0.000 0.000 0.863 198 P CB 0.133 31.835 31.700 0.003 0.000 0.790 199 A N -0.158 122.659 122.820 -0.004 0.000 2.125 199 A HA -0.060 4.258 4.320 -0.004 0.000 0.219 199 A C 2.195 179.771 177.584 -0.014 0.000 1.156 199 A CA 1.385 53.417 52.037 -0.009 0.000 0.671 199 A CB -1.580 17.415 19.000 -0.008 0.000 0.794 199 A HN 0.060 nan 8.150 nan 0.000 0.459 200 V N -0.542 119.365 119.914 -0.012 0.000 2.446 200 V HA -0.128 3.989 4.120 -0.004 0.000 0.244 200 V C 2.416 178.482 176.094 -0.046 0.000 1.039 200 V CA 1.325 63.610 62.300 -0.025 0.000 1.045 200 V CB -0.645 31.171 31.823 -0.011 0.000 0.681 200 V HN 0.562 nan 8.190 nan 0.000 0.459 201 L N -0.151 121.048 121.223 -0.039 0.000 2.079 201 L HA -0.207 4.131 4.340 -0.004 0.000 0.210 201 L C 2.700 179.544 176.870 -0.045 0.000 1.081 201 L CA 1.529 56.339 54.840 -0.050 0.000 0.752 201 L CB -0.426 41.613 42.059 -0.033 0.000 0.896 201 L HN 0.378 nan 8.230 nan 0.000 0.433 202 Q N -0.278 119.503 119.800 -0.031 0.000 2.297 202 Q HA -0.130 4.208 4.340 -0.004 0.000 0.204 202 Q C 1.892 177.875 176.000 -0.027 0.000 0.962 202 Q CA 0.916 56.703 55.803 -0.026 0.000 0.879 202 Q CB 0.311 29.038 28.738 -0.019 0.000 0.947 202 Q HN 0.403 nan 8.270 nan 0.000 0.462 203 R N -0.493 119.988 120.500 -0.033 0.000 2.282 203 R HA 0.142 4.480 4.340 -0.004 0.000 0.195 203 R C 0.487 176.765 176.300 -0.036 0.000 0.909 203 R CA -0.222 55.860 56.100 -0.029 0.000 1.039 203 R CB -0.357 29.928 30.300 -0.025 0.000 1.015 203 R HN 0.093 nan 8.270 nan 0.000 0.513 204 L N 3.159 124.345 121.223 -0.061 0.000 2.455 204 L HA 0.028 4.365 4.340 -0.004 0.000 0.272 204 L C 0.065 176.899 176.870 -0.059 0.000 1.174 204 L CA 0.427 55.211 54.840 -0.093 0.000 0.869 204 L CB 0.393 42.345 42.059 -0.178 0.000 1.130 204 L HN 0.191 nan 8.230 nan 0.000 0.474 205 D N 0.991 121.387 120.400 -0.006 0.000 2.989 205 D HA 0.200 4.838 4.640 -0.004 0.000 0.284 205 D C 0.321 176.720 176.300 0.166 0.000 1.212 205 D CA -0.346 53.682 54.000 0.047 0.000 1.055 205 D CB 0.028 40.851 40.800 0.038 0.000 1.351 205 D HN 0.364 nan 8.370 nan 0.000 0.611 206 D N -0.666 119.822 120.400 0.145 0.000 2.221 206 D HA -0.050 4.588 4.640 -0.004 0.000 0.204 206 D C -0.173 176.212 176.300 0.143 0.000 0.982 206 D CA 1.072 55.169 54.000 0.162 0.000 0.857 206 D CB -0.145 40.690 40.800 0.059 0.000 0.934 206 D HN 0.293 nan 8.370 nan 0.000 0.475 207 D N -0.220 120.264 120.400 0.139 0.000 2.468 207 D HA 0.219 4.857 4.640 -0.004 0.000 0.218 207 D C -0.904 175.476 176.300 0.134 0.000 1.155 207 D CA -0.384 53.652 54.000 0.059 0.000 0.924 207 D CB -0.571 40.254 40.800 0.041 0.000 1.029 207 D HN 0.047 nan 8.370 nan 0.000 0.515 208 F N 0.511 120.381 119.950 -0.132 0.000 2.719 208 F HA 0.456 4.981 4.527 -0.004 0.000 0.309 208 F C -1.800 173.824 175.800 -0.294 0.000 1.138 208 F CA -1.304 56.563 58.000 -0.221 0.000 0.943 208 F CB 0.597 39.457 39.000 -0.233 0.000 1.304 208 F HN -0.186 nan 8.300 nan 0.000 0.445 209 V N 2.777 122.489 119.914 -0.338 0.000 2.461 209 V HA 0.453 4.571 4.120 -0.004 0.000 0.275 209 V C -0.033 175.873 176.094 -0.313 0.000 1.047 209 V CA -0.499 61.525 62.300 -0.460 0.000 0.955 209 V CB 0.984 32.370 31.823 -0.730 0.000 0.988 209 V HN 0.661 nan 8.190 nan 0.000 0.471 210 R N 3.354 123.546 120.500 -0.514 0.000 2.210 210 R HA 0.416 4.754 4.340 -0.004 0.000 0.338 210 R C -0.834 175.282 176.300 -0.307 0.000 1.062 210 R CA 0.036 55.670 56.100 -0.776 0.000 0.902 210 R CB 0.372 29.925 30.300 -1.245 0.000 1.050 210 R HN 0.740 nan 8.270 nan 0.000 0.461 211 C N 4.989 124.316 119.300 0.046 0.000 2.293 211 C HA 0.433 4.890 4.460 -0.004 0.000 0.323 211 C C -0.730 174.539 174.990 0.464 0.000 1.240 211 C CA -1.034 58.141 59.018 0.261 0.000 1.497 211 C CB 0.058 27.977 27.740 0.298 0.000 2.171 211 C HN 0.617 nan 8.230 nan 0.000 0.465 212 L N 5.033 126.496 121.223 0.399 0.000 2.287 212 L HA 0.575 4.913 4.340 -0.004 0.000 0.287 212 L C -0.346 176.760 176.870 0.394 0.000 1.022 212 L CA 0.355 55.416 54.840 0.368 0.000 0.814 212 L CB 0.265 42.450 42.059 0.210 0.000 1.217 212 L HN 0.805 nan 8.230 nan 0.000 0.420 213 H N 3.477 122.721 119.070 0.290 0.000 2.717 213 H HA 0.640 5.194 4.556 -0.004 0.000 0.366 213 H C -1.758 173.732 175.328 0.270 0.000 1.132 213 H CA -0.431 55.789 56.048 0.286 0.000 1.180 213 H CB 2.057 31.922 29.762 0.171 0.000 1.678 213 H HN 0.666 nan 8.280 nan 0.000 0.537 214 S N 3.243 118.647 115.700 -0.493 0.000 2.540 214 S HA 0.192 4.660 4.470 -0.004 0.000 0.275 214 S C 0.999 175.030 174.600 -0.949 0.000 1.123 214 S CA -0.256 57.582 58.200 -0.603 0.000 0.907 214 S CB 1.161 64.201 63.200 -0.266 0.000 1.081 214 S HN 0.552 nan 8.310 nan 0.000 0.476 215 V N 2.095 121.599 119.914 -0.684 0.000 3.078 215 V HA 0.309 4.427 4.120 -0.004 0.000 0.265 215 V C 1.531 177.208 176.094 -0.695 0.000 1.122 215 V CA 1.127 63.103 62.300 -0.539 0.000 1.141 215 V CB -1.507 30.099 31.823 -0.360 0.000 0.735 215 V HN 1.895 nan 8.190 nan 0.000 0.498 216 G N 0.900 109.177 108.800 -0.872 0.000 2.198 216 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.257 216 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.257 216 G C 0.077 174.731 174.900 -0.410 0.000 1.042 216 G CA 0.287 44.760 45.100 -1.045 0.000 0.791 216 G HN 0.540 nan 8.290 nan 0.000 0.502 217 R N 0.287 120.621 120.500 -0.276 0.000 2.564 217 R HA 0.304 4.641 4.340 -0.004 0.000 0.282 217 R C -2.507 173.732 176.300 -0.100 0.000 1.573 217 R CA -1.827 54.183 56.100 -0.149 0.000 1.588 217 R CB 1.175 31.390 30.300 -0.141 0.000 1.154 217 R HN 0.317 nan 8.270 nan 0.000 0.606 218 P HA 0.045 nan 4.420 nan 0.000 0.267 218 P C -0.054 177.226 177.300 -0.034 0.000 1.200 218 P CA -0.004 63.071 63.100 -0.042 0.000 0.772 218 P CB 1.065 32.755 31.700 -0.018 0.000 0.855 219 L N 3.936 125.141 121.223 -0.029 0.000 2.343 219 L HA 0.437 4.775 4.340 -0.004 0.000 0.275 219 L C -1.573 175.288 176.870 -0.015 0.000 1.056 219 L CA -2.183 52.644 54.840 -0.022 0.000 0.804 219 L CB 0.703 42.748 42.059 -0.022 0.000 1.203 219 L HN 0.289 nan 8.230 nan 0.000 0.440 220 P HA 0.199 nan 4.420 nan 0.000 0.275 220 P C -0.714 176.580 177.300 -0.010 0.000 1.228 220 P CA -0.427 62.667 63.100 -0.009 0.000 0.786 220 P CB 0.816 32.512 31.700 -0.005 0.000 0.927 221 L N 1.919 123.137 121.223 -0.009 0.000 2.456 221 L HA 0.086 4.424 4.340 -0.004 0.000 0.272 221 L C 1.914 178.783 176.870 -0.002 0.000 1.189 221 L CA 0.095 54.931 54.840 -0.007 0.000 0.846 221 L CB 0.202 42.258 42.059 -0.006 0.000 1.111 221 L HN 0.548 nan 8.230 nan 0.000 0.475 222 T N -2.002 112.552 114.554 -0.000 0.000 3.040 222 T HA 0.077 4.425 4.350 -0.004 0.000 0.252 222 T C 0.335 175.038 174.700 0.006 0.000 1.064 222 T CA -0.161 61.941 62.100 0.003 0.000 1.110 222 T CB 0.081 68.951 68.868 0.003 0.000 0.921 222 T HN 0.718 nan 8.240 nan 0.000 0.480 223 E N 1.394 121.598 120.200 0.007 0.000 2.317 223 E HA 0.643 4.991 4.350 -0.004 0.000 0.270 223 E C -3.223 173.385 176.600 0.014 0.000 0.885 223 E CA -2.688 53.719 56.400 0.011 0.000 0.760 223 E CB 1.381 31.090 29.700 0.014 0.000 1.227 223 E HN -0.033 nan 8.360 nan 0.000 0.434 224 P HA 0.119 nan 4.420 nan 0.000 0.272 224 P C -0.598 176.721 177.300 0.032 0.000 1.230 224 P CA -0.311 62.803 63.100 0.023 0.000 0.788 224 P CB 0.485 32.200 31.700 0.025 0.000 0.949 225 L N 0.430 121.677 121.223 0.040 0.000 2.439 225 L HA 0.340 4.678 4.340 -0.004 0.000 0.261 225 L C 0.032 176.949 176.870 0.077 0.000 1.153 225 L CA -1.024 53.854 54.840 0.063 0.000 0.808 225 L CB 0.582 42.682 42.059 0.069 0.000 1.126 225 L HN 0.064 nan 8.230 nan 0.000 0.460 226 V N 0.694 120.671 119.914 0.104 0.000 2.407 226 V HA 0.142 4.260 4.120 -0.004 0.000 0.278 226 V C 0.602 176.783 176.094 0.145 0.000 1.037 226 V CA -0.303 62.054 62.300 0.096 0.000 0.900 226 V CB 1.177 33.046 31.823 0.075 0.000 0.983 226 V HN 0.969 nan 8.190 nan 0.000 0.459 227 S N 3.368 119.139 115.700 0.118 0.000 3.533 227 S HA -0.231 4.237 4.470 -0.004 0.000 0.347 227 S C 1.002 175.745 174.600 0.239 0.000 1.101 227 S CA 0.831 59.129 58.200 0.163 0.000 1.009 227 S CB -1.146 62.139 63.200 0.141 0.000 0.916 227 S HN 1.330 nan 8.310 nan 0.000 0.496 228 S N -1.867 113.946 115.700 0.188 0.000 3.445 228 S HA -0.214 4.254 4.470 -0.004 0.000 0.319 228 S C -0.237 174.479 174.600 0.194 0.000 1.209 228 S CA 1.403 59.698 58.200 0.159 0.000 0.934 228 S CB -1.333 61.950 63.200 0.139 0.000 0.999 228 S HN 0.818 nan 8.310 nan 0.000 0.582 229 W N 3.179 124.491 121.300 0.020 0.000 2.278 229 W HA 0.408 5.066 4.660 -0.004 0.000 0.317 229 W C -3.186 173.326 176.519 -0.011 0.000 1.030 229 W CA -2.325 55.020 57.345 -0.001 0.000 1.334 229 W CB 1.097 30.566 29.460 0.014 0.000 1.215 229 W HN 0.003 nan 8.180 nan 0.000 0.405 230 P HA 0.161 nan 4.420 nan 0.000 0.276 230 P C -0.583 176.507 177.300 -0.350 0.000 1.235 230 P CA 0.265 63.188 63.100 -0.296 0.000 0.772 230 P CB 0.682 32.197 31.700 -0.309 0.000 0.871 231 C N 0.350 119.565 119.300 -0.141 0.000 3.275 231 C HA 0.622 5.080 4.460 -0.004 0.000 0.345 231 C C -1.469 173.485 174.990 -0.060 0.000 1.257 231 C CA -0.710 58.261 59.018 -0.077 0.000 1.203 231 C CB 1.443 29.269 27.740 0.142 0.000 1.492 231 C HN 0.443 nan 8.230 nan 0.000 0.484 232 D N 1.556 121.907 120.400 -0.081 0.000 2.443 232 D HA 0.457 5.095 4.640 -0.004 0.000 0.281 232 D C -1.697 174.625 176.300 0.038 0.000 1.210 232 D CA -1.666 52.317 54.000 -0.028 0.000 0.875 232 D CB 1.287 42.054 40.800 -0.054 0.000 1.125 232 D HN 0.330 nan 8.370 nan 0.000 0.503 233 P HA -0.176 nan 4.420 nan 0.000 0.215 233 P C 1.432 178.774 177.300 0.071 0.000 1.157 233 P CA 1.339 64.480 63.100 0.069 0.000 0.874 233 P CB 0.165 31.904 31.700 0.065 0.000 0.790 234 S N -1.279 114.460 115.700 0.065 0.000 2.507 234 S HA -0.058 4.410 4.470 -0.004 0.000 0.235 234 S C 1.621 176.266 174.600 0.075 0.000 0.988 234 S CA 0.694 58.930 58.200 0.060 0.000 0.944 234 S CB -0.691 62.537 63.200 0.048 0.000 0.762 234 S HN 0.122 nan 8.310 nan 0.000 0.526 235 R N 0.561 121.128 120.500 0.112 0.000 2.509 235 R HA 0.340 4.678 4.340 -0.004 0.000 0.300 235 R C -0.559 175.880 176.300 0.232 0.000 0.985 235 R CA -0.155 56.037 56.100 0.153 0.000 1.092 235 R CB 0.657 31.086 30.300 0.216 0.000 1.237 235 R HN 0.261 nan 8.270 nan 0.000 0.546 236 V N 2.292 122.317 119.914 0.185 0.000 2.694 236 V HA -0.030 4.088 4.120 -0.004 0.000 0.306 236 V C -0.128 176.086 176.094 0.200 0.000 1.054 236 V CA 0.531 62.952 62.300 0.201 0.000 1.161 236 V CB 0.836 32.744 31.823 0.142 0.000 0.916 236 V HN 0.101 nan 8.190 nan 0.000 0.490 237 L N 6.236 127.611 121.223 0.252 0.000 2.562 237 L HA 0.543 4.880 4.340 -0.004 0.000 0.266 237 L C -0.792 176.237 176.870 0.266 0.000 0.949 237 L CA 0.043 55.023 54.840 0.233 0.000 0.879 237 L CB 2.131 44.322 42.059 0.221 0.000 1.278 237 L HN 0.370 nan 8.230 nan 0.000 0.404 238 V N 4.670 124.714 119.914 0.217 0.000 2.304 238 V HA 0.865 4.983 4.120 -0.004 0.000 0.278 238 V C 0.317 176.460 176.094 0.081 0.000 1.018 238 V CA -0.189 62.216 62.300 0.176 0.000 0.814 238 V CB 0.912 32.867 31.823 0.220 0.000 1.021 238 V HN 0.883 nan 8.190 nan 0.000 0.440 239 A N 3.826 126.623 122.820 -0.038 0.000 2.337 239 A HA 0.888 5.206 4.320 -0.004 0.000 0.329 239 A C -0.886 176.431 177.584 -0.445 0.000 1.146 239 A CA -0.530 51.437 52.037 -0.116 0.000 0.800 239 A CB 0.757 19.757 19.000 -0.000 0.000 1.220 239 A HN 0.912 nan 8.150 nan 0.000 0.472 240 H N 0.635 119.651 119.070 -0.089 0.000 2.658 240 H HA 0.554 5.108 4.556 -0.004 0.000 0.337 240 H C -1.261 173.982 175.328 -0.142 0.000 1.009 240 H CA -0.366 55.652 56.048 -0.050 0.000 1.231 240 H CB 1.251 31.043 29.762 0.051 0.000 1.508 240 H HN 0.419 nan 8.280 nan 0.000 0.517 241 I N 4.977 125.506 120.570 -0.068 0.000 2.621 241 I HA 0.235 4.403 4.170 -0.004 0.000 0.276 241 I C -2.006 174.097 176.117 -0.024 0.000 1.118 241 I CA -1.727 59.503 61.300 -0.117 0.000 1.159 241 I CB 1.341 39.199 38.000 -0.237 0.000 1.357 241 I HN 0.440 nan 8.210 nan 0.000 0.513 242 P HA -0.179 nan 4.420 nan 0.000 0.215 242 P C 1.642 178.942 177.300 0.001 0.000 1.153 242 P CA 1.468 64.592 63.100 0.039 0.000 0.853 242 P CB 0.151 31.882 31.700 0.052 0.000 0.788 243 S N -1.216 114.481 115.700 -0.006 0.000 2.474 243 S HA -0.079 4.389 4.470 -0.004 0.000 0.235 243 S C 1.436 176.014 174.600 -0.036 0.000 0.997 243 S CA 0.878 59.068 58.200 -0.017 0.000 0.949 243 S CB -0.781 62.417 63.200 -0.003 0.000 0.766 243 S HN 0.083 nan 8.310 nan 0.000 0.517 244 E N 0.675 120.847 120.200 -0.048 0.000 2.481 244 E HA 0.202 4.550 4.350 -0.004 0.000 0.198 244 E C -0.168 176.355 176.600 -0.128 0.000 1.027 244 E CA -0.183 56.172 56.400 -0.075 0.000 0.900 244 E CB 0.003 29.669 29.700 -0.055 0.000 0.993 244 E HN 0.277 nan 8.360 nan 0.000 0.482 245 R N 1.000 121.438 120.500 -0.104 0.000 3.225 245 R HA -0.218 4.120 4.340 -0.004 0.000 0.245 245 R C 0.098 176.292 176.300 -0.176 0.000 0.928 245 R CA 0.576 56.601 56.100 -0.126 0.000 0.632 245 R CB -2.127 28.056 30.300 -0.195 0.000 1.038 245 R HN 0.249 nan 8.270 nan 0.000 0.461 246 R N 0.294 120.731 120.500 -0.104 0.000 2.673 246 R HA 0.650 4.988 4.340 -0.004 0.000 0.281 246 R C -0.570 175.706 176.300 -0.040 0.000 0.991 246 R CA -0.776 55.259 56.100 -0.109 0.000 0.896 246 R CB 1.449 31.692 30.300 -0.095 0.000 1.201 246 R HN 0.155 nan 8.270 nan 0.000 0.457 247 I N 3.288 123.852 120.570 -0.011 0.000 2.545 247 I HA 0.427 4.595 4.170 -0.004 0.000 0.292 247 I C -0.933 175.224 176.117 0.066 0.000 1.040 247 I CA -1.062 60.232 61.300 -0.009 0.000 1.068 247 I CB 2.436 40.468 38.000 0.053 0.000 1.251 247 I HN 0.216 nan 8.210 nan 0.000 0.424 248 V N 4.005 123.963 119.914 0.073 0.000 2.524 248 V HA 0.443 4.561 4.120 -0.004 0.000 0.297 248 V C -0.582 175.698 176.094 0.311 0.000 1.035 248 V CA -0.381 62.044 62.300 0.209 0.000 0.867 248 V CB 1.822 33.815 31.823 0.282 0.000 1.004 248 V HN 0.754 nan 8.190 nan 0.000 0.426 249 S N 5.262 121.227 115.700 0.442 0.000 2.561 249 S HA 0.813 5.281 4.470 -0.004 0.000 0.303 249 S C -1.443 173.469 174.600 0.520 0.000 1.110 249 S CA -0.379 58.092 58.200 0.450 0.000 1.034 249 S CB 1.012 64.453 63.200 0.402 0.000 1.010 249 S HN 0.569 nan 8.310 nan 0.000 0.482 250 F N 3.530 123.598 119.950 0.196 0.000 2.556 250 F HA 0.649 5.174 4.527 -0.004 0.000 0.314 250 F C 0.841 176.604 175.800 -0.060 0.000 1.106 250 F CA 0.553 58.500 58.000 -0.088 0.000 0.911 250 F CB 1.746 40.573 39.000 -0.287 0.000 1.190 250 F HN 0.848 nan 8.300 nan 0.000 0.448 251 G N 2.667 111.072 108.800 -0.657 0.000 2.194 251 G HA2 -0.168 3.790 3.960 -0.004 0.000 0.236 251 G HA3 -0.168 3.790 3.960 -0.004 0.000 0.236 251 G C -0.168 174.658 174.900 -0.124 0.000 0.987 251 G CA 0.139 44.978 45.100 -0.435 0.000 0.635 251 G HN 1.046 nan 8.290 nan 0.000 0.520 252 S N -0.747 114.962 115.700 0.015 0.000 2.536 252 S HA 0.662 5.129 4.470 -0.004 0.000 0.287 252 S C 1.009 175.788 174.600 0.299 0.000 1.101 252 S CA 0.704 59.017 58.200 0.188 0.000 0.950 252 S CB 1.592 64.934 63.200 0.237 0.000 1.056 252 S HN 1.325 nan 8.310 nan 0.000 0.481 253 G N 2.003 111.000 108.800 0.329 0.000 3.126 253 G HA2 0.150 4.108 3.960 -0.004 0.000 0.224 253 G HA3 0.150 4.108 3.960 -0.004 0.000 0.224 253 G C -0.171 175.023 174.900 0.491 0.000 1.142 253 G CA -0.057 45.216 45.100 0.288 0.000 0.759 253 G HN 0.653 nan 8.290 nan 0.000 0.550 254 Y N 1.724 122.262 120.300 0.398 0.000 2.359 254 Y HA 0.381 4.929 4.550 -0.003 0.000 0.330 254 Y C 1.804 177.841 175.900 0.228 0.000 1.143 254 Y CA 0.388 58.685 58.100 0.330 0.000 1.318 254 Y CB 1.368 39.951 38.460 0.205 0.000 1.234 254 Y HN 0.096 nan 8.280 nan 0.000 0.522 255 G N 3.619 112.390 108.800 -0.049 0.000 2.867 255 G HA2 -0.448 3.510 3.960 -0.004 0.000 0.244 255 G HA3 -0.448 3.510 3.960 -0.004 0.000 0.244 255 G C 1.683 176.485 174.900 -0.165 0.000 1.151 255 G CA 1.310 46.217 45.100 -0.321 0.000 0.750 255 G HN 1.012 nan 8.290 nan 0.000 0.652 256 G N 0.195 109.064 108.800 0.116 0.000 2.448 256 G HA2 -0.191 3.767 3.960 -0.004 0.000 0.219 256 G HA3 -0.191 3.767 3.960 -0.004 0.000 0.219 256 G C 1.664 176.669 174.900 0.176 0.000 1.127 256 G CA 1.260 46.456 45.100 0.161 0.000 0.766 256 G HN 0.497 nan 8.290 nan 0.000 0.552 257 N N 0.239 119.060 118.700 0.203 0.000 2.415 257 N HA -0.029 4.708 4.740 -0.004 0.000 0.176 257 N C 2.334 177.930 175.510 0.143 0.000 1.042 257 N CA 1.313 54.486 53.050 0.205 0.000 0.902 257 N CB 0.274 38.909 38.487 0.247 0.000 0.986 257 N HN 0.492 nan 8.380 nan 0.000 0.447 258 S N -0.459 115.256 115.700 0.025 0.000 2.539 258 S HA 0.224 4.692 4.470 -0.004 0.000 0.226 258 S C 0.694 175.119 174.600 -0.293 0.000 1.054 258 S CA -0.362 57.697 58.200 -0.235 0.000 0.910 258 S CB -0.068 62.973 63.200 -0.264 0.000 0.818 258 S HN 0.020 nan 8.310 nan 0.000 0.490 259 L N 3.243 124.333 121.223 -0.221 0.000 2.401 259 L HA 0.351 4.689 4.340 -0.004 0.000 0.283 259 L C 0.865 177.643 176.870 -0.153 0.000 1.151 259 L CA -0.285 54.400 54.840 -0.258 0.000 0.942 259 L CB 0.229 42.079 42.059 -0.348 0.000 1.283 259 L HN 0.270 nan 8.230 nan 0.000 0.442 260 L N 1.931 123.078 121.223 -0.127 0.000 2.313 260 L HA -0.019 4.319 4.340 -0.004 0.000 0.214 260 L C 2.436 179.391 176.870 0.142 0.000 1.119 260 L CA 0.887 55.749 54.840 0.036 0.000 0.809 260 L CB -0.398 41.717 42.059 0.093 0.000 0.933 260 L HN 0.778 nan 8.230 nan 0.000 0.449 261 G N 0.241 109.025 108.800 -0.027 0.000 2.470 261 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.220 261 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.220 261 G C 1.559 176.622 174.900 0.271 0.000 1.121 261 G CA 0.556 45.806 45.100 0.249 0.000 0.766 261 G HN 0.291 nan 8.290 nan 0.000 0.553 262 K N -0.056 120.392 120.400 0.080 0.000 2.143 262 K HA 0.097 4.415 4.320 -0.004 0.000 0.209 262 K C 2.416 179.045 176.600 0.048 0.000 1.042 262 K CA 0.264 56.561 56.287 0.016 0.000 1.000 262 K CB -0.041 32.406 32.500 -0.088 0.000 1.134 262 K HN -0.153 nan 8.250 nan 0.000 0.456 263 K N 0.713 121.126 120.400 0.021 0.000 2.057 263 K HA -0.078 4.240 4.320 -0.004 0.000 0.206 263 K C 2.364 179.071 176.600 0.178 0.000 1.050 263 K CA 1.260 57.548 56.287 0.002 0.000 0.935 263 K CB -0.817 31.728 32.500 0.076 0.000 0.715 263 K HN 0.391 nan 8.250 nan 0.000 0.439 264 C N 0.498 119.978 119.300 0.300 0.000 2.442 264 C HA -0.097 4.361 4.460 -0.004 0.000 0.279 264 C C 2.571 177.854 174.990 0.489 0.000 1.237 264 C CA 0.444 59.757 59.018 0.492 0.000 1.722 264 C CB -1.028 26.972 27.740 0.433 0.000 2.056 264 C HN 0.439 nan 8.230 nan 0.000 0.469 265 F N 1.633 121.754 119.950 0.286 0.000 2.123 265 F HA 0.123 4.647 4.527 -0.004 0.000 0.289 265 F C 2.448 178.469 175.800 0.368 0.000 1.099 265 F CA 1.188 59.378 58.000 0.317 0.000 1.234 265 F CB -0.300 38.923 39.000 0.371 0.000 1.034 265 F HN 0.104 nan 8.300 nan 0.000 0.479 266 A N 0.239 123.142 122.820 0.139 0.000 2.119 266 A HA 0.038 4.356 4.320 -0.004 0.000 0.217 266 A C 1.907 179.676 177.584 0.308 0.000 1.153 266 A CA 1.150 53.312 52.037 0.208 0.000 0.692 266 A CB -0.558 18.523 19.000 0.136 0.000 0.799 266 A HN 0.538 nan 8.150 nan 0.000 0.458 267 L N -2.441 118.872 121.223 0.151 0.000 2.590 267 L HA 0.129 4.467 4.340 -0.004 0.000 0.181 267 L C 2.674 179.612 176.870 0.113 0.000 1.134 267 L CA 0.127 55.036 54.840 0.114 0.000 0.850 267 L CB -0.435 41.596 42.059 -0.047 0.000 1.172 267 L HN 0.201 nan 8.230 nan 0.000 0.498 268 R N 0.349 120.915 120.500 0.110 0.000 2.061 268 R HA -0.067 4.271 4.340 -0.004 0.000 0.230 268 R C 2.144 178.519 176.300 0.124 0.000 1.140 268 R CA 1.177 57.318 56.100 0.068 0.000 0.940 268 R CB -0.192 30.007 30.300 -0.169 0.000 0.839 268 R HN 0.217 nan 8.270 nan 0.000 0.429 269 I N 0.961 121.651 120.570 0.201 0.000 2.202 269 I HA -0.171 3.997 4.170 -0.004 0.000 0.242 269 I C 2.583 178.750 176.117 0.084 0.000 1.091 269 I CA 1.272 62.706 61.300 0.223 0.000 1.368 269 I CB -1.323 36.944 38.000 0.445 0.000 1.058 269 I HN 0.157 nan 8.210 nan 0.000 0.410 270 A N 1.151 123.955 122.820 -0.027 0.000 1.933 270 A HA -0.205 4.113 4.320 -0.004 0.000 0.218 270 A C 2.535 179.901 177.584 -0.363 0.000 1.175 270 A CA 2.268 54.152 52.037 -0.256 0.000 0.628 270 A CB -0.807 17.979 19.000 -0.357 0.000 0.814 270 A HN 0.570 nan 8.150 nan 0.000 0.444 271 S N -0.438 115.198 115.700 -0.107 0.000 2.382 271 S HA -0.194 4.274 4.470 -0.004 0.000 0.228 271 S C 2.081 176.645 174.600 -0.061 0.000 1.027 271 S CA 1.164 59.373 58.200 0.013 0.000 0.991 271 S CB -0.470 62.925 63.200 0.326 0.000 0.823 271 S HN 0.533 nan 8.310 nan 0.000 0.469 272 R N 1.141 121.614 120.500 -0.046 0.000 2.075 272 R HA 0.078 4.415 4.340 -0.004 0.000 0.232 272 R C 2.329 178.381 176.300 -0.413 0.000 1.126 272 R CA 1.690 57.618 56.100 -0.286 0.000 0.963 272 R CB -0.627 29.640 30.300 -0.055 0.000 0.858 272 R HN 0.543 nan 8.270 nan 0.000 0.435 273 M N -0.192 119.212 119.600 -0.327 0.000 2.086 273 M HA -0.138 4.340 4.480 -0.004 0.000 0.261 273 M C 2.501 178.436 176.300 -0.608 0.000 1.067 273 M CA 1.966 57.080 55.300 -0.310 0.000 1.116 273 M CB -0.426 32.106 32.600 -0.112 0.000 1.348 273 M HN 0.183 nan 8.290 nan 0.000 0.407 274 A N -0.158 121.938 122.820 -1.207 0.000 1.917 274 A HA -0.244 4.074 4.320 -0.004 0.000 0.219 274 A C 2.155 179.154 177.584 -0.976 0.000 1.182 274 A CA 1.864 52.790 52.037 -1.852 0.000 0.633 274 A CB -0.903 17.057 19.000 -1.733 0.000 0.819 274 A HN 0.553 nan 8.150 nan 0.000 0.448 275 Q N 0.049 119.312 119.800 -0.895 0.000 2.124 275 Q HA -0.235 4.103 4.340 -0.004 0.000 0.202 275 Q C 2.149 177.741 176.000 -0.679 0.000 0.977 275 Q CA 2.067 57.200 55.803 -1.116 0.000 0.850 275 Q CB -0.235 27.802 28.738 -1.170 0.000 0.901 275 Q HN 0.946 nan 8.270 nan 0.000 0.429 276 Q N -1.320 118.187 119.800 -0.489 0.000 2.398 276 Q HA -0.039 4.299 4.340 -0.004 0.000 0.204 276 Q C 1.041 176.951 176.000 -0.150 0.000 0.932 276 Q CA 0.584 56.221 55.803 -0.276 0.000 0.916 276 Q CB 0.138 28.742 28.738 -0.222 0.000 1.024 276 Q HN 0.376 nan 8.270 nan 0.000 0.504 277 Q N 0.099 119.818 119.800 -0.136 0.000 2.217 277 Q HA 0.235 4.573 4.340 -0.004 0.000 0.217 277 Q C 0.162 176.279 176.000 0.195 0.000 0.844 277 Q CA 0.238 56.088 55.803 0.079 0.000 0.957 277 Q CB 1.408 30.315 28.738 0.282 0.000 1.127 277 Q HN 0.565 nan 8.270 nan 0.000 0.503 278 G N 1.229 110.088 108.800 0.099 0.000 2.165 278 G HA2 -0.168 3.789 3.960 -0.004 0.000 0.226 278 G HA3 -0.168 3.789 3.960 -0.004 0.000 0.226 278 G C -0.411 174.675 174.900 0.311 0.000 1.035 278 G CA 0.268 45.489 45.100 0.203 0.000 0.744 278 G HN 0.322 nan 8.290 nan 0.000 0.501 279 W N -1.360 119.970 121.300 0.051 0.000 3.505 279 W HA 0.841 5.500 4.660 -0.002 0.000 0.338 279 W C -0.951 175.608 176.519 0.067 0.000 1.159 279 W CA -1.724 55.624 57.345 0.005 0.000 0.981 279 W CB 0.732 30.157 29.460 -0.059 0.000 1.575 279 W HN 0.171 nan 8.180 nan 0.000 0.608 280 L N 1.407 122.752 121.223 0.203 0.000 2.431 280 L HA 0.716 5.054 4.340 -0.004 0.000 0.266 280 L C -0.461 176.547 176.870 0.230 0.000 0.978 280 L CA -0.996 53.891 54.840 0.079 0.000 0.822 280 L CB 1.853 43.915 42.059 0.006 0.000 1.310 280 L HN 0.568 nan 8.230 nan 0.000 0.409 281 A N 2.529 125.431 122.820 0.138 0.000 2.310 281 A HA 0.816 5.134 4.320 -0.004 0.000 0.304 281 A C -0.837 176.998 177.584 0.419 0.000 1.231 281 A CA -0.495 51.735 52.037 0.321 0.000 0.799 281 A CB 0.851 19.866 19.000 0.025 0.000 1.162 281 A HN 0.590 nan 8.150 nan 0.000 0.486 282 E N 0.739 121.220 120.200 0.469 0.000 2.317 282 E HA 0.183 4.531 4.350 -0.004 0.000 0.270 282 E C -0.972 175.841 176.600 0.356 0.000 0.885 282 E CA -0.585 56.090 56.400 0.459 0.000 0.760 282 E CB 1.540 31.567 29.700 0.545 0.000 1.227 282 E HN 0.791 nan 8.360 nan 0.000 0.434 283 H N 2.739 121.922 119.070 0.189 0.000 3.220 283 H HA 0.248 4.801 4.556 -0.004 0.000 0.225 283 H C -0.647 174.730 175.328 0.081 0.000 1.869 283 H CA 0.084 56.174 56.048 0.070 0.000 1.428 283 H CB -0.150 29.649 29.762 0.062 0.000 1.792 283 H HN 0.190 nan 8.280 nan 0.000 0.595 284 M N 3.801 123.458 119.600 0.094 0.000 2.327 284 M HA 0.158 4.636 4.480 -0.004 0.000 0.298 284 M C -0.796 175.490 176.300 -0.023 0.000 1.065 284 M CA -1.325 53.966 55.300 -0.015 0.000 0.916 284 M CB 2.572 35.217 32.600 0.074 0.000 1.630 284 M HN 0.258 nan 8.290 nan 0.000 0.442 285 L N 1.771 122.929 121.223 -0.109 0.000 2.464 285 L HA 0.668 5.006 4.340 -0.004 0.000 0.264 285 L C -0.992 175.884 176.870 0.009 0.000 1.199 285 L CA 0.255 55.072 54.840 -0.039 0.000 0.818 285 L CB 0.180 42.189 42.059 -0.083 0.000 1.102 285 L HN 0.582 nan 8.230 nan 0.000 0.473 286 I N 2.837 123.454 120.570 0.079 0.000 2.533 286 I HA 0.557 4.725 4.170 -0.004 0.000 0.290 286 I C -0.924 175.301 176.117 0.180 0.000 1.056 286 I CA -0.694 60.683 61.300 0.129 0.000 1.057 286 I CB 1.835 39.920 38.000 0.142 0.000 1.240 286 I HN 0.707 nan 8.210 nan 0.000 0.423 287 L N 3.387 124.737 121.223 0.212 0.000 2.415 287 L HA 1.039 5.377 4.340 -0.004 0.000 0.256 287 L C -0.326 176.699 176.870 0.259 0.000 1.010 287 L CA -0.578 54.397 54.840 0.226 0.000 0.826 287 L CB 1.465 43.606 42.059 0.136 0.000 1.405 287 L HN 0.507 nan 8.230 nan 0.000 0.410 288 G N 0.381 109.279 108.800 0.164 0.000 2.379 288 G HA2 0.653 4.611 3.960 -0.004 0.000 0.327 288 G HA3 0.653 4.611 3.960 -0.004 0.000 0.327 288 G C -1.314 173.590 174.900 0.007 0.000 1.145 288 G CA -0.725 44.266 45.100 -0.182 0.000 0.905 288 G HN 0.571 nan 8.290 nan 0.000 0.466 289 V N 1.757 121.684 119.914 0.021 0.000 2.448 289 V HA 0.495 4.613 4.120 -0.004 0.000 0.295 289 V C 0.015 176.207 176.094 0.164 0.000 1.025 289 V CA -0.630 61.776 62.300 0.177 0.000 0.859 289 V CB 1.739 33.761 31.823 0.331 0.000 0.988 289 V HN 0.765 nan 8.190 nan 0.000 0.431 290 T N 3.441 118.046 114.554 0.084 0.000 2.758 290 T HA 0.406 4.754 4.350 -0.004 0.000 0.285 290 T C 0.300 174.776 174.700 -0.372 0.000 0.981 290 T CA -0.398 61.662 62.100 -0.067 0.000 0.965 290 T CB 1.257 70.117 68.868 -0.013 0.000 0.927 290 T HN 0.864 nan 8.240 nan 0.000 0.448 291 S N 3.517 118.755 115.700 -0.770 0.000 2.614 291 S HA 0.302 4.770 4.470 -0.004 0.000 0.265 291 S C -1.766 172.249 174.600 -0.975 0.000 1.303 291 S CA -1.263 56.042 58.200 -1.493 0.000 1.000 291 S CB 0.704 62.988 63.200 -1.527 0.000 0.935 291 S HN 0.273 nan 8.310 nan 0.000 0.551 292 P HA -0.127 nan 4.420 nan 0.000 0.217 292 P C 1.558 178.646 177.300 -0.354 0.000 1.148 292 P CA 1.675 64.422 63.100 -0.589 0.000 0.828 292 P CB -0.244 31.151 31.700 -0.507 0.000 0.783 293 S N -2.081 113.417 115.700 -0.337 0.000 2.555 293 S HA 0.134 4.602 4.470 -0.004 0.000 0.230 293 S C 1.749 176.267 174.600 -0.137 0.000 0.978 293 S CA 0.831 58.923 58.200 -0.179 0.000 0.934 293 S CB -1.257 61.877 63.200 -0.111 0.000 0.766 293 S HN 0.309 nan 8.310 nan 0.000 0.533 294 G N 0.611 109.302 108.800 -0.182 0.000 2.195 294 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.246 294 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.246 294 G C -0.147 174.724 174.900 -0.049 0.000 0.984 294 G CA 0.172 45.208 45.100 -0.106 0.000 0.633 294 G HN 0.696 nan 8.290 nan 0.000 0.525 295 E N 0.861 121.049 120.200 -0.021 0.000 2.415 295 E HA 0.408 4.755 4.350 -0.004 0.000 0.263 295 E C 0.242 176.957 176.600 0.192 0.000 0.995 295 E CA -0.007 56.466 56.400 0.122 0.000 0.915 295 E CB 0.305 30.162 29.700 0.261 0.000 0.951 295 E HN 0.324 nan 8.360 nan 0.000 0.449 296 K N 4.052 124.557 120.400 0.176 0.000 2.292 296 K HA 0.343 4.660 4.320 -0.004 0.000 0.257 296 K C -0.928 175.747 176.600 0.124 0.000 0.940 296 K CA -0.789 55.578 56.287 0.133 0.000 0.811 296 K CB 0.830 33.321 32.500 -0.015 0.000 1.120 296 K HN 0.405 nan 8.250 nan 0.000 0.428 297 R N 2.718 123.307 120.500 0.147 0.000 2.807 297 R HA 0.351 4.689 4.340 -0.004 0.000 0.276 297 R C -1.170 175.062 176.300 -0.113 0.000 0.979 297 R CA -0.783 55.322 56.100 0.009 0.000 0.928 297 R CB 1.133 31.342 30.300 -0.152 0.000 1.191 297 R HN 0.537 nan 8.270 nan 0.000 0.471 298 Y N 0.877 121.240 120.300 0.105 0.000 2.446 298 Y HA 0.567 5.115 4.550 -0.003 0.000 0.338 298 Y C 0.531 176.482 175.900 0.085 0.000 1.055 298 Y CA -0.596 57.569 58.100 0.107 0.000 1.101 298 Y CB 1.946 40.461 38.460 0.091 0.000 1.221 298 Y HN 0.226 nan 8.280 nan 0.000 0.460 299 M N 2.168 121.908 119.600 0.233 0.000 2.501 299 M HA 0.745 5.223 4.480 -0.004 0.000 0.293 299 M C -1.088 175.277 176.300 0.108 0.000 1.192 299 M CA -0.904 54.477 55.300 0.135 0.000 0.886 299 M CB 2.549 35.195 32.600 0.078 0.000 1.710 299 M HN 0.697 nan 8.290 nan 0.000 0.457 300 A N 1.737 124.593 122.820 0.059 0.000 2.340 300 A HA 1.001 5.319 4.320 -0.004 0.000 0.331 300 A C -1.116 176.396 177.584 -0.121 0.000 1.140 300 A CA -0.626 51.416 52.037 0.008 0.000 0.801 300 A CB 1.359 20.398 19.000 0.065 0.000 1.234 300 A HN 0.927 nan 8.150 nan 0.000 0.469 301 A N 0.641 123.317 122.820 -0.239 0.000 2.402 301 A HA 0.709 5.027 4.320 -0.004 0.000 0.291 301 A C -0.265 176.965 177.584 -0.591 0.000 1.051 301 A CA 0.174 51.905 52.037 -0.510 0.000 0.716 301 A CB 0.990 19.525 19.000 -0.774 0.000 1.223 301 A HN 2.211 nan 8.150 nan 0.000 0.425 302 A N 2.964 125.538 122.820 -0.410 0.000 2.366 302 A HA 0.701 5.019 4.320 -0.004 0.000 0.322 302 A C -0.641 176.943 177.584 -0.000 0.000 1.397 302 A CA -0.144 51.798 52.037 -0.159 0.000 0.984 302 A CB -0.589 18.496 19.000 0.141 0.000 1.149 302 A HN 0.661 nan 8.150 nan 0.000 0.540 303 F N 2.700 122.574 119.950 -0.126 0.000 2.480 303 F HA 0.440 4.965 4.527 -0.003 0.000 0.329 303 F C -2.070 173.664 175.800 -0.111 0.000 1.091 303 F CA -2.749 55.187 58.000 -0.108 0.000 0.972 303 F CB 2.118 41.071 39.000 -0.079 0.000 1.150 303 F HN 0.336 nan 8.300 nan 0.000 0.467 304 P HA 0.021 nan 4.420 nan 0.000 0.271 304 P C -0.733 176.707 177.300 0.233 0.000 1.244 304 P CA -0.240 62.994 63.100 0.224 0.000 0.793 304 P CB 0.465 32.242 31.700 0.128 0.000 0.984 305 S N 0.783 116.707 115.700 0.374 0.000 2.558 305 S HA 0.250 4.718 4.470 -0.004 0.000 0.293 305 S C 0.859 175.545 174.600 0.143 0.000 1.292 305 S CA 0.839 59.223 58.200 0.307 0.000 1.063 305 S CB -0.785 62.619 63.200 0.341 0.000 0.831 305 S HN 0.706 nan 8.310 nan 0.000 0.499 306 A N 1.446 124.328 122.820 0.103 0.000 2.832 306 A HA -0.196 4.121 4.320 -0.004 0.000 0.280 306 A C 0.891 178.474 177.584 -0.001 0.000 1.464 306 A CA 0.753 52.810 52.037 0.034 0.000 0.804 306 A CB -2.421 16.577 19.000 -0.003 0.000 1.020 306 A HN 0.891 nan 8.150 nan 0.000 0.563 307 C N -1.493 117.837 119.300 0.049 0.000 3.115 307 C HA 0.607 5.064 4.460 -0.004 0.000 0.277 307 C C 1.887 177.001 174.990 0.206 0.000 1.460 307 C CA 0.197 59.210 59.018 -0.008 0.000 1.789 307 C CB -0.516 27.169 27.740 -0.092 0.000 2.674 307 C HN 2.282 nan 8.230 nan 0.000 0.582 308 G N 1.205 110.177 108.800 0.287 0.000 2.183 308 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.168 308 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.168 308 G C 0.897 176.078 174.900 0.469 0.000 1.008 308 G CA 0.106 45.429 45.100 0.372 0.000 0.677 308 G HN 0.443 nan 8.290 nan 0.000 0.498 309 K N 0.050 120.700 120.400 0.417 0.000 2.032 309 K HA -0.076 4.242 4.320 -0.004 0.000 0.209 309 K C 2.555 179.231 176.600 0.127 0.000 1.048 309 K CA 1.943 58.356 56.287 0.211 0.000 0.927 309 K CB -0.340 32.178 32.500 0.030 0.000 0.712 309 K HN 0.325 nan 8.250 nan 0.000 0.441 310 T N 1.342 115.954 114.554 0.097 0.000 2.708 310 T HA -0.113 4.235 4.350 -0.004 0.000 0.266 310 T C 1.533 176.250 174.700 0.028 0.000 1.037 310 T CA 1.754 63.871 62.100 0.028 0.000 1.146 310 T CB -0.362 68.513 68.868 0.010 0.000 0.865 310 T HN 0.253 nan 8.240 nan 0.000 0.435 311 N N 0.813 119.568 118.700 0.093 0.000 2.289 311 N HA 0.005 4.743 4.740 -0.004 0.000 0.184 311 N C 1.535 177.087 175.510 0.070 0.000 1.016 311 N CA 0.429 53.541 53.050 0.103 0.000 0.872 311 N CB -0.272 38.330 38.487 0.191 0.000 0.973 311 N HN 0.178 nan 8.380 nan 0.000 0.433 312 L N 0.328 121.620 121.223 0.115 0.000 2.068 312 L HA 0.162 4.500 4.340 -0.004 0.000 0.204 312 L C 2.000 178.908 176.870 0.063 0.000 1.076 312 L CA 1.089 55.998 54.840 0.115 0.000 0.753 312 L CB -0.731 41.505 42.059 0.296 0.000 0.910 312 L HN 0.116 nan 8.230 nan 0.000 0.439 313 A N 0.162 123.012 122.820 0.050 0.000 1.978 313 A HA -0.178 4.140 4.320 -0.004 0.000 0.220 313 A C 1.925 179.500 177.584 -0.014 0.000 1.170 313 A CA 2.047 54.101 52.037 0.028 0.000 0.636 313 A CB -0.700 18.319 19.000 0.031 0.000 0.810 313 A HN 0.637 nan 8.150 nan 0.000 0.448 314 M N -1.985 117.577 119.600 -0.064 0.000 2.685 314 M HA 0.466 4.944 4.480 -0.004 0.000 0.355 314 M C 0.321 176.574 176.300 -0.078 0.000 1.197 314 M CA -0.356 54.883 55.300 -0.102 0.000 0.947 314 M CB -0.101 32.373 32.600 -0.210 0.000 1.346 314 M HN 0.270 nan 8.290 nan 0.000 0.516 315 M N 2.323 121.895 119.600 -0.046 0.000 2.250 315 M HA 0.113 4.591 4.480 -0.004 0.000 0.337 315 M C -0.912 175.346 176.300 -0.070 0.000 1.161 315 M CA 1.298 56.569 55.300 -0.048 0.000 1.088 315 M CB 0.769 33.343 32.600 -0.045 0.000 1.639 315 M HN 0.294 nan 8.290 nan 0.000 0.447 316 T N 7.124 121.630 114.554 -0.080 0.000 2.762 316 T HA 0.445 4.792 4.350 -0.004 0.000 0.303 316 T C -2.441 172.200 174.700 -0.099 0.000 0.977 316 T CA -1.071 60.976 62.100 -0.089 0.000 0.961 316 T CB 0.457 69.270 68.868 -0.092 0.000 0.944 316 T HN 0.521 nan 8.240 nan 0.000 0.481 317 P HA 0.115 nan 4.420 nan 0.000 0.268 317 P C 0.774 178.010 177.300 -0.105 0.000 1.205 317 P CA -0.242 62.811 63.100 -0.078 0.000 0.771 317 P CB 0.603 32.303 31.700 -0.001 0.000 0.858 318 S N 2.514 118.109 115.700 -0.175 0.000 2.561 318 S HA 0.046 4.514 4.470 -0.004 0.000 0.225 318 S C 0.601 175.163 174.600 -0.064 0.000 0.977 318 S CA 0.165 58.239 58.200 -0.210 0.000 0.926 318 S CB -0.584 62.315 63.200 -0.503 0.000 0.769 318 S HN 0.326 nan 8.310 nan 0.000 0.533 319 L N 2.948 124.168 121.223 -0.005 0.000 2.264 319 L HA 0.368 4.706 4.340 -0.004 0.000 0.287 319 L C -1.577 175.385 176.870 0.154 0.000 1.039 319 L CA -1.984 52.914 54.840 0.096 0.000 0.829 319 L CB 1.451 43.568 42.059 0.097 0.000 1.211 319 L HN 0.065 nan 8.230 nan 0.000 0.427 320 P HA -0.074 nan 4.420 nan 0.000 0.230 320 P C 1.227 178.559 177.300 0.053 0.000 1.158 320 P CA 0.556 63.692 63.100 0.060 0.000 0.769 320 P CB 0.327 32.041 31.700 0.023 0.000 0.807 321 G N -1.808 107.049 108.800 0.094 0.000 2.848 321 G HA2 -0.014 3.944 3.960 -0.004 0.000 0.208 321 G HA3 -0.014 3.944 3.960 -0.004 0.000 0.208 321 G C -0.378 174.329 174.900 -0.322 0.000 1.152 321 G CA -0.171 44.874 45.100 -0.092 0.000 0.789 321 G HN 0.189 nan 8.290 nan 0.000 0.531 322 W N -0.903 120.345 121.300 -0.086 0.000 2.761 322 W HA 0.738 5.395 4.660 -0.004 0.000 0.340 322 W C 0.171 176.631 176.519 -0.099 0.000 1.072 322 W CA -1.154 56.124 57.345 -0.112 0.000 1.215 322 W CB 1.561 30.956 29.460 -0.109 0.000 1.420 322 W HN -0.214 nan 8.180 nan 0.000 0.519 323 R N 2.634 123.203 120.500 0.115 0.000 2.628 323 R HA 0.616 4.954 4.340 -0.004 0.000 0.288 323 R C -1.414 174.902 176.300 0.027 0.000 0.980 323 R CA -0.528 55.581 56.100 0.016 0.000 0.891 323 R CB 1.138 31.428 30.300 -0.017 0.000 1.188 323 R HN 0.420 nan 8.270 nan 0.000 0.450 324 I N 3.439 123.968 120.570 -0.068 0.000 2.474 324 I HA 0.351 4.519 4.170 -0.004 0.000 0.294 324 I C -0.557 175.442 176.117 -0.196 0.000 1.005 324 I CA -0.749 60.526 61.300 -0.042 0.000 1.113 324 I CB 1.728 39.718 38.000 -0.017 0.000 1.289 324 I HN 0.761 nan 8.210 nan 0.000 0.436 325 H N 2.753 121.848 119.070 0.041 0.000 2.538 325 H HA 0.349 4.903 4.556 -0.003 0.000 0.353 325 H C -0.578 174.809 175.328 0.098 0.000 1.109 325 H CA -0.248 55.840 56.048 0.067 0.000 1.192 325 H CB 2.049 31.869 29.762 0.095 0.000 1.555 325 H HN 0.674 nan 8.280 nan 0.000 0.518 326 C N 4.159 123.574 119.300 0.192 0.000 2.435 326 C HA 0.335 4.793 4.460 -0.004 0.000 0.375 326 C C 1.264 176.395 174.990 0.236 0.000 1.281 326 C CA -0.152 58.963 59.018 0.161 0.000 1.963 326 C CB -0.979 26.804 27.740 0.072 0.000 2.490 326 C HN 0.767 nan 8.230 nan 0.000 0.557 327 V N 5.079 125.152 119.914 0.265 0.000 2.806 327 V HA 0.459 4.577 4.120 -0.004 0.000 0.239 327 V C 1.283 177.551 176.094 0.290 0.000 1.113 327 V CA 1.107 63.597 62.300 0.317 0.000 1.137 327 V CB -0.202 31.795 31.823 0.291 0.000 0.865 327 V HN 1.083 nan 8.190 nan 0.000 0.482 328 G N 0.138 109.081 108.800 0.240 0.000 2.646 328 G HA2 0.480 4.438 3.960 -0.004 0.000 0.291 328 G HA3 0.480 4.438 3.960 -0.004 0.000 0.291 328 G C -1.141 173.888 174.900 0.215 0.000 1.445 328 G CA 0.459 45.702 45.100 0.237 0.000 0.814 328 G HN 0.124 nan 8.290 nan 0.000 0.495 329 D N -1.446 119.103 120.400 0.248 0.000 2.503 329 D HA 0.209 4.847 4.640 -0.004 0.000 0.218 329 D C 0.292 176.659 176.300 0.111 0.000 1.183 329 D CA 0.181 54.283 54.000 0.171 0.000 0.827 329 D CB 1.338 42.262 40.800 0.208 0.000 1.034 329 D HN 0.326 nan 8.370 nan 0.000 0.510 330 D N -0.411 120.050 120.400 0.101 0.000 2.315 330 D HA 0.281 4.919 4.640 -0.004 0.000 0.272 330 D C -0.399 175.967 176.300 0.110 0.000 1.238 330 D CA 0.257 54.318 54.000 0.101 0.000 1.160 330 D CB 0.978 41.856 40.800 0.131 0.000 1.780 330 D HN 0.085 nan 8.370 nan 0.000 0.484 331 I N 1.309 121.915 120.570 0.060 0.000 2.498 331 I HA 0.697 4.865 4.170 -0.004 0.000 0.290 331 I C -0.969 175.161 176.117 0.021 0.000 1.032 331 I CA -1.090 60.237 61.300 0.045 0.000 1.073 331 I CB 2.230 40.205 38.000 -0.042 0.000 1.251 331 I HN 0.065 nan 8.210 nan 0.000 0.426 332 A N 5.891 128.789 122.820 0.131 0.000 2.343 332 A HA 0.736 5.053 4.320 -0.004 0.000 0.316 332 A C -1.843 175.987 177.584 0.410 0.000 1.104 332 A CA -0.377 51.764 52.037 0.174 0.000 0.768 332 A CB 0.884 19.997 19.000 0.188 0.000 1.213 332 A HN 0.613 nan 8.150 nan 0.000 0.456 333 W N 2.316 123.710 121.300 0.155 0.000 2.376 333 W HA 0.687 5.345 4.660 -0.005 0.000 0.312 333 W C -0.308 176.301 176.519 0.150 0.000 1.060 333 W CA -1.095 56.390 57.345 0.234 0.000 1.221 333 W CB 1.087 30.642 29.460 0.158 0.000 1.281 333 W HN 0.517 nan 8.180 nan 0.000 0.456 334 M N 3.400 123.248 119.600 0.413 0.000 2.457 334 M HA 0.485 4.963 4.480 -0.004 0.000 0.300 334 M C -0.480 175.892 176.300 0.121 0.000 1.141 334 M CA -0.852 54.551 55.300 0.171 0.000 0.901 334 M CB 3.330 35.984 32.600 0.091 0.000 1.687 334 M HN 0.268 nan 8.290 nan 0.000 0.449 335 K N 1.987 122.369 120.400 -0.031 0.000 2.543 335 K HA 0.509 4.827 4.320 -0.004 0.000 0.255 335 K C -1.808 174.709 176.600 -0.139 0.000 0.934 335 K CA -0.577 55.689 56.287 -0.035 0.000 0.810 335 K CB 1.954 34.456 32.500 0.004 0.000 1.315 335 K HN 0.481 nan 8.250 nan 0.000 0.433 336 F N 3.400 123.362 119.950 0.020 0.000 2.538 336 F HA 0.027 4.551 4.527 -0.005 0.000 0.371 336 F C 1.135 176.928 175.800 -0.012 0.000 1.087 336 F CA 0.322 58.317 58.000 -0.009 0.000 1.250 336 F CB 0.383 39.361 39.000 -0.037 0.000 1.110 336 F HN 0.578 nan 8.300 nan 0.000 0.570 337 D N 1.079 121.585 120.400 0.177 0.000 2.478 337 D HA 0.050 4.688 4.640 -0.004 0.000 0.269 337 D C 0.400 176.750 176.300 0.083 0.000 1.232 337 D CA -0.401 53.652 54.000 0.089 0.000 1.059 337 D CB 0.439 41.267 40.800 0.047 0.000 1.104 337 D HN 0.388 nan 8.370 nan 0.000 0.566 338 D N -0.970 119.454 120.400 0.040 0.000 2.363 338 D HA -0.066 4.572 4.640 -0.004 0.000 0.220 338 D C 0.901 177.209 176.300 0.013 0.000 0.994 338 D CA 0.480 54.492 54.000 0.020 0.000 0.890 338 D CB 0.099 40.903 40.800 0.007 0.000 0.906 338 D HN 0.548 nan 8.370 nan 0.000 0.530 339 E N -0.046 120.170 120.200 0.027 0.000 2.511 339 E HA 0.121 4.469 4.350 -0.004 0.000 0.196 339 E C 1.314 177.929 176.600 0.025 0.000 1.066 339 E CA 0.298 56.711 56.400 0.023 0.000 0.871 339 E CB 0.194 29.913 29.700 0.031 0.000 0.863 339 E HN 0.192 nan 8.360 nan 0.000 0.520 340 G N 1.957 110.779 108.800 0.037 0.000 2.143 340 G HA2 -0.292 3.666 3.960 -0.004 0.000 0.248 340 G HA3 -0.292 3.666 3.960 -0.004 0.000 0.248 340 G C 0.122 175.131 174.900 0.181 0.000 0.991 340 G CA -0.123 44.980 45.100 0.007 0.000 0.689 340 G HN 0.071 nan 8.290 nan 0.000 0.522 341 R N -0.557 120.093 120.500 0.250 0.000 2.368 341 R HA 0.473 4.811 4.340 -0.004 0.000 0.302 341 R C -0.090 176.370 176.300 0.268 0.000 1.002 341 R CA -0.988 55.268 56.100 0.259 0.000 0.929 341 R CB 1.498 31.872 30.300 0.124 0.000 1.073 341 R HN 0.220 nan 8.270 nan 0.000 0.464 342 L N 4.625 125.917 121.223 0.116 0.000 2.385 342 L HA 0.148 4.486 4.340 -0.004 0.000 0.281 342 L C -0.037 176.761 176.870 -0.120 0.000 1.106 342 L CA 0.496 55.153 54.840 -0.304 0.000 0.856 342 L CB 0.105 41.926 42.059 -0.397 0.000 1.186 342 L HN 0.278 nan 8.230 nan 0.000 0.453 343 R N 4.597 125.025 120.500 -0.120 0.000 2.346 343 R HA 0.752 5.089 4.340 -0.004 0.000 0.311 343 R C -0.764 175.507 176.300 -0.048 0.000 0.983 343 R CA -0.525 55.535 56.100 -0.067 0.000 0.880 343 R CB 1.612 31.881 30.300 -0.051 0.000 1.100 343 R HN 0.717 nan 8.270 nan 0.000 0.453 344 A N 4.292 127.090 122.820 -0.037 0.000 2.355 344 A HA 0.674 4.992 4.320 -0.004 0.000 0.317 344 A C -0.149 177.434 177.584 -0.001 0.000 1.094 344 A CA -0.852 51.195 52.037 0.017 0.000 0.764 344 A CB 0.919 19.946 19.000 0.044 0.000 1.230 344 A HN 0.794 nan 8.150 nan 0.000 0.448 345 I N -0.477 120.119 120.570 0.043 0.000 2.740 345 I HA 0.637 4.805 4.170 -0.004 0.000 0.303 345 I C -0.505 175.602 176.117 -0.017 0.000 1.044 345 I CA -1.000 60.300 61.300 -0.000 0.000 1.064 345 I CB 2.188 40.174 38.000 -0.022 0.000 1.249 345 I HN 0.490 nan 8.210 nan 0.000 0.433 346 N N 5.531 124.213 118.700 -0.031 0.000 2.420 346 N HA 0.397 5.135 4.740 -0.004 0.000 0.249 346 N C -1.788 173.605 175.510 -0.195 0.000 1.033 346 N CA -2.571 50.442 53.050 -0.061 0.000 0.944 346 N CB 1.075 39.623 38.487 0.103 0.000 1.113 346 N HN 0.465 nan 8.380 nan 0.000 0.502 347 P HA 0.009 nan 4.420 nan 0.000 0.241 347 P C -0.508 176.616 177.300 -0.292 0.000 1.191 347 P CA 0.742 63.476 63.100 -0.611 0.000 0.771 347 P CB 0.524 31.328 31.700 -1.494 0.000 0.929 348 E N -0.190 119.907 120.200 -0.171 0.000 2.250 348 E HA 0.322 4.670 4.350 -0.004 0.000 0.265 348 E C 0.575 177.188 176.600 0.023 0.000 1.033 348 E CA -0.718 55.635 56.400 -0.078 0.000 0.888 348 E CB 1.547 31.191 29.700 -0.093 0.000 1.151 348 E HN -0.120 nan 8.360 nan 0.000 0.412 349 R N 0.013 120.510 120.500 -0.004 0.000 2.404 349 R HA 0.204 4.542 4.340 -0.004 0.000 0.237 349 R C -0.019 176.194 176.300 -0.145 0.000 0.907 349 R CA 0.093 56.234 56.100 0.068 0.000 1.063 349 R CB 0.763 31.103 30.300 0.067 0.000 1.134 349 R HN 0.551 nan 8.270 nan 0.000 0.529 350 G N -0.647 107.975 108.800 -0.296 0.000 2.788 350 G HA2 0.468 4.426 3.960 -0.004 0.000 0.293 350 G HA3 0.468 4.426 3.960 -0.004 0.000 0.293 350 G C -1.607 172.968 174.900 -0.542 0.000 1.392 350 G CA -0.629 44.203 45.100 -0.448 0.000 0.810 350 G HN 0.007 nan 8.290 nan 0.000 0.508 351 F N -0.249 119.739 119.950 0.062 0.000 2.482 351 F HA 0.570 5.095 4.527 -0.003 0.000 0.331 351 F C -0.673 175.208 175.800 0.134 0.000 1.115 351 F CA -1.049 57.016 58.000 0.107 0.000 0.955 351 F CB 2.332 41.436 39.000 0.173 0.000 1.136 351 F HN 0.295 nan 8.300 nan 0.000 0.452 352 F N 2.933 122.913 119.950 0.050 0.000 2.371 352 F HA 0.688 5.213 4.527 -0.004 0.000 0.343 352 F C 0.192 175.815 175.800 -0.294 0.000 1.150 352 F CA -0.967 56.956 58.000 -0.128 0.000 1.220 352 F CB 0.101 39.047 39.000 -0.091 0.000 1.475 352 F HN 0.472 nan 8.300 nan 0.000 0.521 353 G N 2.428 110.670 108.800 -0.930 0.000 2.389 353 G HA2 0.471 4.429 3.960 -0.004 0.000 0.328 353 G HA3 0.471 4.429 3.960 -0.004 0.000 0.328 353 G C -0.926 173.224 174.900 -1.251 0.000 1.133 353 G CA -0.702 43.717 45.100 -1.134 0.000 0.891 353 G HN 0.238 nan 8.290 nan 0.000 0.485 354 V N 1.793 121.300 119.914 -0.679 0.000 2.557 354 V HA 0.168 4.286 4.120 -0.004 0.000 0.301 354 V C 1.486 177.268 176.094 -0.521 0.000 1.026 354 V CA 0.904 62.907 62.300 -0.495 0.000 1.137 354 V CB 0.638 32.308 31.823 -0.256 0.000 0.917 354 V HN 0.985 nan 8.190 nan 0.000 0.484 355 A N 7.766 130.242 122.820 -0.574 0.000 1.861 355 A HA 0.213 4.531 4.320 -0.004 0.000 0.212 355 A C -1.341 175.589 177.584 -1.089 0.000 1.199 355 A CA 0.403 51.921 52.037 -0.866 0.000 0.613 355 A CB -0.988 17.385 19.000 -1.046 0.000 0.846 355 A HN 0.719 nan 8.150 nan 0.000 0.446 356 P HA 0.242 nan 4.420 nan 0.000 0.264 356 P C 0.866 178.050 177.300 -0.193 0.000 1.183 356 P CA 2.019 64.893 63.100 -0.377 0.000 0.763 356 P CB 0.484 32.081 31.700 -0.173 0.000 0.807 357 G N 1.664 110.466 108.800 0.004 0.000 2.258 357 G HA2 -0.223 3.735 3.960 -0.004 0.000 0.233 357 G HA3 -0.223 3.735 3.960 -0.004 0.000 0.233 357 G C 0.278 175.214 174.900 0.059 0.000 1.006 357 G CA 0.042 45.178 45.100 0.061 0.000 0.620 357 G HN 0.596 nan 8.290 nan 0.000 0.511 358 T N 2.128 116.725 114.554 0.071 0.000 2.853 358 T HA 0.533 4.881 4.350 -0.004 0.000 0.298 358 T C 0.470 175.356 174.700 0.309 0.000 0.978 358 T CA 1.037 63.233 62.100 0.159 0.000 1.152 358 T CB 1.207 70.150 68.868 0.125 0.000 0.914 358 T HN 1.588 nan 8.240 nan 0.000 0.539 359 S N 0.829 116.579 115.700 0.083 0.000 2.643 359 S HA 0.440 4.908 4.470 -0.004 0.000 0.270 359 S C 1.232 175.807 174.600 -0.042 0.000 1.166 359 S CA -0.246 57.971 58.200 0.028 0.000 0.815 359 S CB 1.067 64.251 63.200 -0.026 0.000 1.139 359 S HN 0.579 nan 8.310 nan 0.000 0.472 360 S N 0.100 115.771 115.700 -0.048 0.000 2.474 360 S HA -0.025 4.442 4.470 -0.004 0.000 0.235 360 S C 1.590 176.131 174.600 -0.099 0.000 0.997 360 S CA 0.655 58.815 58.200 -0.066 0.000 0.949 360 S CB -0.509 62.661 63.200 -0.051 0.000 0.766 360 S HN 0.680 nan 8.310 nan 0.000 0.517 361 R N 0.983 121.406 120.500 -0.129 0.000 2.066 361 R HA -0.031 4.307 4.340 -0.004 0.000 0.224 361 R C 2.525 178.661 176.300 -0.274 0.000 1.122 361 R CA 1.784 57.777 56.100 -0.178 0.000 0.974 361 R CB -0.536 29.655 30.300 -0.181 0.000 0.871 361 R HN 0.724 nan 8.270 nan 0.000 0.435 362 T N -2.215 112.115 114.554 -0.373 0.000 2.939 362 T HA 0.027 4.375 4.350 -0.004 0.000 0.254 362 T C 0.922 175.485 174.700 -0.228 0.000 1.041 362 T CA 0.493 62.219 62.100 -0.623 0.000 1.142 362 T CB 0.113 68.410 68.868 -0.952 0.000 0.874 362 T HN 0.010 nan 8.240 nan 0.000 0.452 363 N N 1.496 120.114 118.700 -0.138 0.000 2.732 363 N HA 0.285 5.023 4.740 -0.004 0.000 0.235 363 N C -2.542 172.920 175.510 -0.081 0.000 1.466 363 N CA -1.738 51.271 53.050 -0.069 0.000 0.751 363 N CB 1.593 40.069 38.487 -0.019 0.000 1.317 363 N HN 0.040 nan 8.380 nan 0.000 0.525 364 P HA -0.061 nan 4.420 nan 0.000 0.220 364 P C 0.811 178.056 177.300 -0.091 0.000 1.148 364 P CA 0.917 63.968 63.100 -0.081 0.000 0.803 364 P CB 0.593 32.246 31.700 -0.078 0.000 0.782 365 N N 0.417 119.055 118.700 -0.103 0.000 2.188 365 N HA -0.095 4.642 4.740 -0.004 0.000 0.184 365 N C 1.899 177.309 175.510 -0.167 0.000 1.018 365 N CA 1.501 54.477 53.050 -0.123 0.000 0.858 365 N CB -0.835 37.575 38.487 -0.127 0.000 0.989 365 N HN 0.115 nan 8.380 nan 0.000 0.426 366 A N 1.401 124.108 122.820 -0.189 0.000 1.930 366 A HA -0.075 4.243 4.320 -0.004 0.000 0.217 366 A C 2.228 179.634 177.584 -0.296 0.000 1.175 366 A CA 1.092 52.953 52.037 -0.294 0.000 0.627 366 A CB -0.307 18.545 19.000 -0.246 0.000 0.815 366 A HN 0.096 nan 8.150 nan 0.000 0.443 367 M N -0.320 119.181 119.600 -0.164 0.000 2.108 367 M HA -0.149 4.329 4.480 -0.004 0.000 0.261 367 M C 2.471 178.703 176.300 -0.115 0.000 1.066 367 M CA 1.706 56.941 55.300 -0.108 0.000 1.107 367 M CB -1.429 31.137 32.600 -0.056 0.000 1.356 367 M HN 0.494 nan 8.290 nan 0.000 0.406 368 A N -0.360 122.396 122.820 -0.107 0.000 1.969 368 A HA -0.091 4.227 4.320 -0.004 0.000 0.218 368 A C 2.277 179.806 177.584 -0.092 0.000 1.169 368 A CA 1.907 53.895 52.037 -0.082 0.000 0.635 368 A CB -0.932 18.029 19.000 -0.065 0.000 0.810 368 A HN 0.486 nan 8.150 nan 0.000 0.445 369 T N 0.745 115.218 114.554 -0.136 0.000 2.821 369 T HA -0.064 4.284 4.350 -0.004 0.000 0.267 369 T C 1.625 176.239 174.700 -0.144 0.000 1.046 369 T CA 1.485 63.511 62.100 -0.124 0.000 1.139 369 T CB -0.422 68.354 68.868 -0.154 0.000 0.871 369 T HN 0.727 nan 8.240 nan 0.000 0.454 370 I N -0.925 119.509 120.570 -0.227 0.000 3.883 370 I HA 0.506 4.673 4.170 -0.004 0.000 0.326 370 I C 2.176 178.235 176.117 -0.095 0.000 1.283 370 I CA -0.118 61.047 61.300 -0.224 0.000 1.161 370 I CB -0.324 37.454 38.000 -0.371 0.000 1.012 370 I HN 0.023 nan 8.210 nan 0.000 0.421 371 A N 2.588 125.347 122.820 -0.102 0.000 2.121 371 A HA 0.015 4.332 4.320 -0.004 0.000 0.218 371 A C 1.248 178.833 177.584 0.001 0.000 1.154 371 A CA 0.687 52.665 52.037 -0.099 0.000 0.679 371 A CB -0.197 18.777 19.000 -0.043 0.000 0.795 371 A HN 0.743 nan 8.150 nan 0.000 0.458 372 R N -2.856 117.658 120.500 0.022 0.000 2.707 372 R HA 0.390 4.728 4.340 -0.004 0.000 0.272 372 R C -0.999 175.346 176.300 0.075 0.000 1.011 372 R CA -0.586 55.558 56.100 0.073 0.000 0.893 372 R CB 0.426 30.766 30.300 0.067 0.000 1.233 372 R HN 0.013 nan 8.270 nan 0.000 0.464 373 N N -0.138 118.636 118.700 0.123 0.000 2.721 373 N HA -0.144 4.594 4.740 -0.004 0.000 0.249 373 N C -1.191 174.382 175.510 0.104 0.000 1.072 373 N CA 1.737 54.868 53.050 0.136 0.000 0.710 373 N CB -1.050 37.493 38.487 0.094 0.000 0.993 373 N HN 0.743 nan 8.380 nan 0.000 0.547 374 T N 0.733 115.351 114.554 0.107 0.000 2.841 374 T HA 0.640 4.988 4.350 -0.004 0.000 0.283 374 T C 0.727 175.451 174.700 0.041 0.000 1.000 374 T CA -0.483 61.598 62.100 -0.033 0.000 0.977 374 T CB 1.909 70.622 68.868 -0.259 0.000 0.979 374 T HN 0.059 nan 8.240 nan 0.000 0.446 375 I N 3.298 123.862 120.570 -0.010 0.000 2.321 375 I HA 0.400 4.568 4.170 -0.004 0.000 0.291 375 I C -0.783 175.339 176.117 0.009 0.000 0.998 375 I CA -0.602 60.777 61.300 0.131 0.000 1.227 375 I CB 0.704 38.763 38.000 0.098 0.000 1.368 375 I HN 0.503 nan 8.210 nan 0.000 0.466 376 F N 3.647 123.773 119.950 0.293 0.000 2.421 376 F HA 0.439 4.964 4.527 -0.003 0.000 0.337 376 F C 0.525 176.482 175.800 0.261 0.000 1.105 376 F CA -0.445 57.714 58.000 0.265 0.000 1.049 376 F CB 1.713 40.892 39.000 0.299 0.000 1.139 376 F HN 0.253 nan 8.300 nan 0.000 0.479 377 T N 3.286 118.046 114.554 0.343 0.000 2.809 377 T HA 0.254 4.602 4.350 -0.004 0.000 0.284 377 T C -0.201 174.606 174.700 0.177 0.000 0.992 377 T CA -0.740 61.505 62.100 0.241 0.000 0.957 377 T CB 0.742 69.698 68.868 0.146 0.000 0.942 377 T HN 0.622 nan 8.240 nan 0.000 0.439 378 N N 0.178 118.994 118.700 0.193 0.000 2.829 378 N HA -0.138 4.600 4.740 -0.004 0.000 0.250 378 N C 0.149 175.778 175.510 0.198 0.000 1.090 378 N CA 1.093 54.253 53.050 0.183 0.000 0.781 378 N CB -1.812 36.655 38.487 -0.033 0.000 1.124 378 N HN 0.686 nan 8.380 nan 0.000 0.559 379 V N -2.560 117.505 119.914 0.253 0.000 3.262 379 V HA 0.928 5.046 4.120 -0.004 0.000 0.313 379 V C 1.328 177.559 176.094 0.228 0.000 1.070 379 V CA -0.073 62.387 62.300 0.268 0.000 1.049 379 V CB 1.145 33.222 31.823 0.422 0.000 1.157 379 V HN 0.146 nan 8.190 nan 0.000 0.454 380 G N 0.360 109.268 108.800 0.180 0.000 2.444 380 G HA2 0.512 4.470 3.960 -0.004 0.000 0.268 380 G HA3 0.512 4.470 3.960 -0.004 0.000 0.268 380 G C -0.957 174.030 174.900 0.146 0.000 1.203 380 G CA -0.463 44.727 45.100 0.149 0.000 0.835 380 G HN 1.055 nan 8.290 nan 0.000 0.543 381 L N 1.474 122.772 121.223 0.127 0.000 2.296 381 L HA 0.560 4.898 4.340 -0.004 0.000 0.286 381 L C 0.483 177.394 176.870 0.068 0.000 1.023 381 L CA -0.774 54.111 54.840 0.074 0.000 0.812 381 L CB 1.056 43.134 42.059 0.031 0.000 1.223 381 L HN 0.562 nan 8.230 nan 0.000 0.421 382 R N 2.488 122.988 120.500 0.001 0.000 2.500 382 R HA 0.337 4.675 4.340 -0.004 0.000 0.277 382 R C 1.137 177.341 176.300 -0.161 0.000 1.026 382 R CA 0.138 56.155 56.100 -0.139 0.000 1.058 382 R CB 0.875 31.077 30.300 -0.163 0.000 1.078 382 R HN 0.818 nan 8.270 nan 0.000 0.509 383 S N -0.007 115.560 115.700 -0.221 0.000 2.474 383 S HA -0.144 4.323 4.470 -0.004 0.000 0.235 383 S C 1.025 175.537 174.600 -0.147 0.000 0.997 383 S CA 1.214 59.318 58.200 -0.161 0.000 0.949 383 S CB -0.244 62.856 63.200 -0.166 0.000 0.766 383 S HN 0.775 nan 8.310 nan 0.000 0.517 384 D N 0.454 120.752 120.400 -0.170 0.000 2.340 384 D HA 0.233 4.871 4.640 -0.004 0.000 0.220 384 D C 1.352 177.539 176.300 -0.188 0.000 1.039 384 D CA 0.533 54.437 54.000 -0.160 0.000 0.866 384 D CB -0.613 40.093 40.800 -0.156 0.000 0.913 384 D HN 0.542 nan 8.370 nan 0.000 0.523 385 G N -0.904 107.786 108.800 -0.183 0.000 2.157 385 G HA2 -0.147 3.811 3.960 -0.004 0.000 0.248 385 G HA3 -0.147 3.811 3.960 -0.004 0.000 0.248 385 G C 0.595 175.303 174.900 -0.319 0.000 0.979 385 G CA 0.052 45.025 45.100 -0.212 0.000 0.650 385 G HN 0.805 nan 8.290 nan 0.000 0.529 386 G N -1.175 107.441 108.800 -0.307 0.000 2.568 386 G HA2 0.843 4.800 3.960 -0.004 0.000 0.293 386 G HA3 0.843 4.800 3.960 -0.004 0.000 0.293 386 G C 0.319 175.194 174.900 -0.042 0.000 1.347 386 G CA 0.271 45.193 45.100 -0.297 0.000 1.039 386 G HN 1.490 nan 8.290 nan 0.000 0.523 387 V N -2.870 117.067 119.914 0.039 0.000 2.975 387 V HA 0.824 4.942 4.120 -0.004 0.000 0.318 387 V C -0.964 175.039 176.094 -0.152 0.000 1.077 387 V CA -1.196 61.032 62.300 -0.119 0.000 1.000 387 V CB 1.596 33.171 31.823 -0.413 0.000 1.066 387 V HN 0.742 nan 8.190 nan 0.000 0.452 388 Y N 2.374 122.521 120.300 -0.256 0.000 2.504 388 Y HA 0.766 5.314 4.550 -0.003 0.000 0.344 388 Y C -1.450 174.318 175.900 -0.220 0.000 1.023 388 Y CA -1.196 56.697 58.100 -0.345 0.000 1.020 388 Y CB 2.083 40.500 38.460 -0.072 0.000 1.282 388 Y HN 1.074 nan 8.280 nan 0.000 0.454 389 W N 3.332 123.985 121.300 -1.078 0.000 3.137 389 W HA 0.479 5.136 4.660 -0.004 0.000 0.324 389 W C -1.408 174.467 176.519 -1.075 0.000 1.253 389 W CA -1.309 55.519 57.345 -0.862 0.000 1.183 389 W CB 0.262 29.500 29.460 -0.371 0.000 1.424 389 W HN 0.516 nan 8.180 nan 0.000 0.566 390 D N 0.775 121.014 120.400 -0.269 0.000 2.581 390 D HA 0.332 4.970 4.640 -0.004 0.000 0.238 390 D C 1.213 177.556 176.300 0.071 0.000 1.145 390 D CA 2.972 56.939 54.000 -0.054 0.000 0.866 390 D CB 0.521 41.350 40.800 0.048 0.000 1.151 390 D HN 1.068 nan 8.370 nan 0.000 0.500 391 G N 2.859 111.685 108.800 0.042 0.000 2.284 391 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.216 391 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.216 391 G C 0.261 175.178 174.900 0.029 0.000 1.009 391 G CA -0.013 45.135 45.100 0.080 0.000 0.625 391 G HN 0.623 nan 8.290 nan 0.000 0.501 392 L N 2.789 123.917 121.223 -0.158 0.000 2.499 392 L HA 0.510 4.848 4.340 -0.004 0.000 0.273 392 L C 0.614 177.439 176.870 -0.076 0.000 1.195 392 L CA 0.794 55.465 54.840 -0.282 0.000 0.882 392 L CB 0.748 42.226 42.059 -0.968 0.000 1.133 392 L HN 0.382 nan 8.230 nan 0.000 0.483 393 D N 2.880 123.253 120.400 -0.044 0.000 2.696 393 D HA 0.049 4.687 4.640 -0.004 0.000 0.269 393 D C 0.097 176.393 176.300 -0.007 0.000 1.319 393 D CA -0.323 53.676 54.000 -0.002 0.000 0.826 393 D CB -0.199 40.596 40.800 -0.009 0.000 1.086 393 D HN 0.604 nan 8.370 nan 0.000 0.481 394 E N 1.744 121.931 120.200 -0.022 0.000 2.324 394 E HA 0.166 4.514 4.350 -0.004 0.000 0.271 394 E C -1.992 174.617 176.600 0.014 0.000 1.028 394 E CA -1.639 54.757 56.400 -0.007 0.000 0.890 394 E CB 0.676 30.368 29.700 -0.014 0.000 1.004 394 E HN -0.007 nan 8.360 nan 0.000 0.431 395 P HA -0.033 nan 4.420 nan 0.000 0.261 395 P C -0.883 176.418 177.300 0.001 0.000 1.183 395 P CA 0.300 63.402 63.100 0.004 0.000 0.761 395 P CB 0.824 32.523 31.700 -0.003 0.000 0.785 396 T N 1.730 116.284 114.554 0.001 0.000 2.900 396 T HA 0.280 4.628 4.350 -0.004 0.000 0.295 396 T C -0.538 174.145 174.700 -0.027 0.000 1.044 396 T CA -0.756 61.334 62.100 -0.016 0.000 0.995 396 T CB 0.881 69.749 68.868 -0.001 0.000 1.072 396 T HN 0.257 nan 8.240 nan 0.000 0.473 397 E N 3.133 123.304 120.200 -0.048 0.000 2.404 397 E HA 0.295 4.643 4.350 -0.004 0.000 0.261 397 E C -2.236 174.335 176.600 -0.048 0.000 1.074 397 E CA -1.416 54.955 56.400 -0.048 0.000 0.917 397 E CB 0.325 29.990 29.700 -0.059 0.000 0.965 397 E HN 0.406 nan 8.360 nan 0.000 0.433 398 P HA 0.055 nan 4.420 nan 0.000 0.268 398 P C 0.364 177.635 177.300 -0.049 0.000 1.205 398 P CA 0.535 63.614 63.100 -0.035 0.000 0.771 398 P CB 0.618 32.300 31.700 -0.029 0.000 0.858 399 G N 0.901 109.673 108.800 -0.047 0.000 2.157 399 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.248 399 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.248 399 G C 0.150 174.989 174.900 -0.102 0.000 0.979 399 G CA -0.209 44.855 45.100 -0.059 0.000 0.650 399 G HN 0.551 nan 8.290 nan 0.000 0.529 400 V N 2.360 122.190 119.914 -0.141 0.000 2.585 400 V HA 0.478 4.596 4.120 -0.004 0.000 0.296 400 V C 1.263 177.112 176.094 -0.409 0.000 1.035 400 V CA 0.984 63.127 62.300 -0.261 0.000 1.084 400 V CB 0.966 32.619 31.823 -0.282 0.000 0.953 400 V HN 0.768 nan 8.190 nan 0.000 0.483 401 T N 3.022 117.324 114.554 -0.421 0.000 2.949 401 T HA 0.744 5.092 4.350 -0.004 0.000 0.287 401 T C -1.023 173.360 174.700 -0.529 0.000 1.034 401 T CA -0.690 61.188 62.100 -0.370 0.000 1.018 401 T CB 1.493 70.281 68.868 -0.134 0.000 1.135 401 T HN 0.331 nan 8.240 nan 0.000 0.532 402 Y N -0.334 119.980 120.300 0.025 0.000 2.499 402 Y HA 0.625 5.173 4.550 -0.004 0.000 0.347 402 Y C 0.549 176.510 175.900 0.103 0.000 0.987 402 Y CA -1.014 57.127 58.100 0.068 0.000 1.044 402 Y CB 2.452 41.007 38.460 0.159 0.000 1.245 402 Y HN 0.899 nan 8.280 nan 0.000 0.461 403 T N 0.856 115.542 114.554 0.220 0.000 2.792 403 T HA 0.528 4.875 4.350 -0.004 0.000 0.280 403 T C -0.062 174.719 174.700 0.135 0.000 0.990 403 T CA -0.687 61.506 62.100 0.154 0.000 0.960 403 T CB 0.492 69.394 68.868 0.055 0.000 0.939 403 T HN 0.796 nan 8.240 nan 0.000 0.439 404 S N 4.891 120.662 115.700 0.119 0.000 2.626 404 S HA 0.159 4.627 4.470 -0.004 0.000 0.257 404 S C 1.556 176.183 174.600 0.044 0.000 1.288 404 S CA -0.533 57.685 58.200 0.030 0.000 0.980 404 S CB 0.113 63.314 63.200 0.001 0.000 0.975 404 S HN 1.000 nan 8.310 nan 0.000 0.577 405 W N 0.232 121.518 121.300 -0.023 0.000 2.721 405 W HA 0.058 4.715 4.660 -0.003 0.000 0.245 405 W C 0.675 177.199 176.519 0.009 0.000 1.276 405 W CA 0.064 57.413 57.345 0.006 0.000 1.342 405 W CB -1.314 28.162 29.460 0.026 0.000 1.135 405 W HN 0.529 nan 8.180 nan 0.000 0.654 406 L N 1.347 122.199 121.223 -0.619 0.000 2.418 406 L HA 0.254 4.592 4.340 -0.004 0.000 0.218 406 L C 1.999 178.723 176.870 -0.243 0.000 1.125 406 L CA 0.948 55.434 54.840 -0.590 0.000 0.835 406 L CB -0.999 40.726 42.059 -0.557 0.000 0.953 406 L HN 0.206 nan 8.230 nan 0.000 0.454 407 G N 0.595 109.311 108.800 -0.140 0.000 2.136 407 G HA2 -0.268 3.690 3.960 -0.004 0.000 0.242 407 G HA3 -0.268 3.690 3.960 -0.004 0.000 0.242 407 G C 0.131 175.000 174.900 -0.051 0.000 0.989 407 G CA 0.023 45.074 45.100 -0.082 0.000 0.682 407 G HN 0.345 nan 8.290 nan 0.000 0.522 408 K N 0.466 120.840 120.400 -0.043 0.000 2.208 408 K HA 0.568 4.886 4.320 -0.004 0.000 0.247 408 K C -2.531 174.108 176.600 0.064 0.000 0.953 408 K CA -2.387 53.899 56.287 -0.002 0.000 0.837 408 K CB 1.799 34.287 32.500 -0.021 0.000 1.131 408 K HN -0.091 nan 8.250 nan 0.000 0.431 409 P HA -0.080 nan 4.420 nan 0.000 0.264 409 P C -1.443 175.964 177.300 0.179 0.000 1.183 409 P CA 0.139 63.302 63.100 0.105 0.000 0.763 409 P CB 0.283 32.011 31.700 0.047 0.000 0.807 410 W N 4.227 125.543 121.300 0.026 0.000 2.936 410 W HA 0.576 5.234 4.660 -0.003 0.000 0.338 410 W C -1.129 175.394 176.519 0.007 0.000 1.121 410 W CA -0.734 56.616 57.345 0.008 0.000 1.209 410 W CB 1.894 31.357 29.460 0.005 0.000 1.420 410 W HN 0.125 nan 8.180 nan 0.000 0.516 411 K N 2.951 122.774 120.400 -0.963 0.000 2.464 411 K HA 0.261 4.579 4.320 -0.004 0.000 0.253 411 K C -0.747 174.910 176.600 -1.571 0.000 0.933 411 K CA -0.767 55.014 56.287 -0.843 0.000 0.801 411 K CB 1.015 33.257 32.500 -0.430 0.000 1.271 411 K HN 0.501 nan 8.250 nan 0.000 0.430 412 H N 1.636 120.162 119.070 -0.907 0.000 3.187 412 H HA 0.001 4.555 4.556 -0.004 0.000 0.286 412 H C 0.982 176.053 175.328 -0.428 0.000 0.944 412 H CA 2.263 57.960 56.048 -0.586 0.000 1.429 412 H CB 0.800 30.441 29.762 -0.201 0.000 1.483 412 H HN 1.012 nan 8.280 nan 0.000 0.555 413 G N 3.767 112.410 108.800 -0.261 0.000 2.480 413 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.193 413 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.193 413 G C 0.050 174.841 174.900 -0.181 0.000 1.004 413 G CA -0.294 44.706 45.100 -0.166 0.000 0.696 413 G HN 0.527 nan 8.290 nan 0.000 0.478 414 D N 2.110 122.295 120.400 -0.359 0.000 2.419 414 D HA 0.360 4.998 4.640 -0.004 0.000 0.236 414 D C -0.064 176.251 176.300 0.026 0.000 1.165 414 D CA -0.324 53.544 54.000 -0.219 0.000 0.882 414 D CB 1.106 41.650 40.800 -0.427 0.000 1.201 414 D HN 0.171 nan 8.370 nan 0.000 0.443 415 P HA -0.162 nan 4.420 nan 0.000 0.216 415 P C 0.027 177.418 177.300 0.152 0.000 1.153 415 P CA 1.232 64.384 63.100 0.087 0.000 0.858 415 P CB 0.415 32.154 31.700 0.065 0.000 0.789 416 E N -0.133 120.209 120.200 0.236 0.000 2.222 416 E HA 0.325 4.673 4.350 -0.004 0.000 0.267 416 E C -2.320 174.521 176.600 0.402 0.000 0.963 416 E CA -2.785 53.776 56.400 0.268 0.000 0.837 416 E CB 1.250 31.103 29.700 0.255 0.000 1.183 416 E HN 0.069 nan 8.360 nan 0.000 0.403 417 P HA -0.110 nan 4.420 nan 0.000 0.267 417 P C 0.471 177.623 177.300 -0.246 0.000 1.200 417 P CA 0.096 63.232 63.100 0.061 0.000 0.772 417 P CB 0.775 32.464 31.700 -0.019 0.000 0.855 418 C N 2.295 121.024 119.300 -0.952 0.000 2.440 418 C HA 0.101 4.559 4.460 -0.004 0.000 0.278 418 C C 1.303 176.136 174.990 -0.262 0.000 1.295 418 C CA 1.248 59.523 59.018 -1.239 0.000 1.738 418 C CB -1.337 25.443 27.740 -1.601 0.000 1.987 418 C HN 0.679 nan 8.230 nan 0.000 0.492 419 A N -0.095 122.634 122.820 -0.151 0.000 2.312 419 A HA 0.497 4.815 4.320 -0.004 0.000 0.328 419 A C -0.291 177.176 177.584 -0.196 0.000 1.158 419 A CA -0.330 51.694 52.037 -0.021 0.000 0.821 419 A CB -0.126 18.893 19.000 0.032 0.000 1.170 419 A HN 0.658 nan 8.150 nan 0.000 0.490 420 H N 2.348 121.032 119.070 -0.643 0.000 2.972 420 H HA 0.038 4.592 4.556 -0.004 0.000 0.343 420 H C -1.632 173.428 175.328 -0.446 0.000 1.054 420 H CA -0.637 54.864 56.048 -0.912 0.000 1.412 420 H CB 1.084 29.999 29.762 -1.411 0.000 1.385 420 H HN 0.303 nan 8.280 nan 0.000 0.600 421 P HA -0.131 nan 4.420 nan 0.000 0.219 421 P C 0.708 177.892 177.300 -0.195 0.000 1.146 421 P CA 1.413 64.293 63.100 -0.368 0.000 0.808 421 P CB 0.271 31.743 31.700 -0.379 0.000 0.779 422 N N -1.045 117.646 118.700 -0.015 0.000 2.273 422 N HA 0.022 4.760 4.740 -0.004 0.000 0.231 422 N C -0.380 175.116 175.510 -0.023 0.000 1.134 422 N CA -0.207 52.847 53.050 0.007 0.000 0.856 422 N CB -0.213 38.287 38.487 0.022 0.000 1.068 422 N HN -0.019 nan 8.380 nan 0.000 0.510 423 S N -0.307 115.345 115.700 -0.079 0.000 2.584 423 S HA 0.357 4.825 4.470 -0.004 0.000 0.270 423 S C 0.149 174.620 174.600 -0.215 0.000 1.346 423 S CA -0.374 57.770 58.200 -0.094 0.000 1.018 423 S CB 1.257 64.414 63.200 -0.072 0.000 0.899 423 S HN 0.099 nan 8.310 nan 0.000 0.542 424 R N 0.492 120.864 120.500 -0.213 0.000 2.837 424 R HA 0.537 4.875 4.340 -0.004 0.000 0.271 424 R C -1.087 175.049 176.300 -0.274 0.000 0.993 424 R CA -0.692 55.117 56.100 -0.486 0.000 0.931 424 R CB 1.399 31.200 30.300 -0.833 0.000 1.206 424 R HN 0.791 nan 8.270 nan 0.000 0.474 425 F N -1.383 118.370 119.950 -0.328 0.000 2.492 425 F HA 0.683 5.208 4.527 -0.004 0.000 0.327 425 F C -0.262 175.383 175.800 -0.259 0.000 1.079 425 F CA -1.521 56.242 58.000 -0.395 0.000 0.967 425 F CB 1.252 39.970 39.000 -0.471 0.000 1.169 425 F HN 0.321 nan 8.300 nan 0.000 0.472 426 C N 3.762 123.082 119.300 0.033 0.000 2.455 426 C HA 0.913 5.370 4.460 -0.004 0.000 0.321 426 C C -0.597 174.438 174.990 0.076 0.000 1.102 426 C CA 0.004 59.099 59.018 0.129 0.000 1.413 426 C CB -0.859 26.959 27.740 0.130 0.000 1.952 426 C HN 1.199 nan 8.230 nan 0.000 0.428 427 A N 7.801 130.714 122.820 0.155 0.000 2.449 427 A HA 0.952 5.270 4.320 -0.004 0.000 0.302 427 A C -3.004 174.609 177.584 0.049 0.000 1.048 427 A CA -1.210 50.879 52.037 0.086 0.000 0.708 427 A CB 1.712 20.757 19.000 0.076 0.000 1.274 427 A HN 0.633 nan 8.150 nan 0.000 0.410 428 P HA 0.238 nan 4.420 nan 0.000 0.271 428 P C 0.730 177.954 177.300 -0.127 0.000 1.216 428 P CA 0.340 63.397 63.100 -0.073 0.000 0.771 428 P CB 1.400 33.087 31.700 -0.022 0.000 0.864 429 A N 3.619 126.213 122.820 -0.377 0.000 2.015 429 A HA -0.190 4.128 4.320 -0.004 0.000 0.219 429 A C 1.482 178.845 177.584 -0.368 0.000 1.163 429 A CA 1.778 53.454 52.037 -0.602 0.000 0.646 429 A CB -1.230 17.039 19.000 -1.217 0.000 0.806 429 A HN 0.599 nan 8.150 nan 0.000 0.448 430 D N -0.500 119.780 120.400 -0.201 0.000 2.392 430 D HA -0.134 4.503 4.640 -0.004 0.000 0.228 430 D C 1.450 177.739 176.300 -0.018 0.000 1.003 430 D CA 0.936 54.902 54.000 -0.058 0.000 0.917 430 D CB -0.492 40.379 40.800 0.119 0.000 0.890 430 D HN 0.600 nan 8.370 nan 0.000 0.532 431 Q N -0.749 119.043 119.800 -0.013 0.000 2.392 431 Q HA 0.127 4.465 4.340 -0.004 0.000 0.203 431 Q C 0.194 176.195 176.000 0.002 0.000 0.917 431 Q CA -0.194 55.613 55.803 0.007 0.000 0.939 431 Q CB 0.481 29.226 28.738 0.010 0.000 1.063 431 Q HN 0.302 nan 8.270 nan 0.000 0.516 432 C N 3.162 122.474 119.300 0.020 0.000 2.627 432 C HA 0.137 4.595 4.460 -0.004 0.000 0.404 432 C C -1.014 173.960 174.990 -0.027 0.000 1.340 432 C CA -1.657 57.358 59.018 -0.004 0.000 1.758 432 C CB 0.429 28.199 27.740 0.051 0.000 2.501 432 C HN 0.348 nan 8.230 nan 0.000 0.588 433 P HA -0.018 nan 4.420 nan 0.000 0.233 433 P C 0.450 177.745 177.300 -0.007 0.000 1.167 433 P CA 1.206 64.295 63.100 -0.017 0.000 0.770 433 P CB -0.229 31.454 31.700 -0.029 0.000 0.837 434 I N -5.919 114.637 120.570 -0.022 0.000 3.654 434 I HA 0.322 4.490 4.170 -0.004 0.000 0.337 434 I C 0.139 176.312 176.117 0.093 0.000 1.568 434 I CA -0.733 60.560 61.300 -0.013 0.000 1.115 434 I CB -0.264 37.663 38.000 -0.121 0.000 1.300 434 I HN -0.357 nan 8.210 nan 0.000 0.471 435 M N 2.336 121.981 119.600 0.074 0.000 2.238 435 M HA 0.096 4.574 4.480 -0.004 0.000 0.350 435 M C 0.388 176.850 176.300 0.270 0.000 1.321 435 M CA 0.491 55.825 55.300 0.056 0.000 1.097 435 M CB -0.216 32.238 32.600 -0.244 0.000 1.713 435 M HN 0.351 nan 8.290 nan 0.000 0.455 436 D N 5.870 126.468 120.400 0.329 0.000 2.488 436 D HA -0.013 4.625 4.640 -0.004 0.000 0.238 436 D C -1.493 174.969 176.300 0.270 0.000 1.138 436 D CA -1.006 53.156 54.000 0.271 0.000 0.873 436 D CB 1.266 42.277 40.800 0.352 0.000 1.183 436 D HN 0.304 nan 8.370 nan 0.000 0.458 437 P HA -0.147 nan 4.420 nan 0.000 0.218 437 P C 0.603 177.978 177.300 0.124 0.000 1.146 437 P CA 1.269 64.442 63.100 0.120 0.000 0.820 437 P CB 0.148 31.869 31.700 0.035 0.000 0.778 438 R N -1.142 119.438 120.500 0.134 0.000 2.427 438 R HA 0.088 4.426 4.340 -0.004 0.000 0.262 438 R C 1.997 178.323 176.300 0.042 0.000 0.943 438 R CA -0.209 55.920 56.100 0.048 0.000 1.081 438 R CB -0.536 29.767 30.300 0.005 0.000 1.166 438 R HN 0.397 nan 8.270 nan 0.000 0.534 439 W N 2.151 123.467 121.300 0.028 0.000 2.364 439 W HA -0.137 4.522 4.660 -0.002 0.000 0.281 439 W C -0.401 176.112 176.519 -0.010 0.000 1.219 439 W CA 1.374 58.736 57.345 0.028 0.000 1.220 439 W CB -0.145 29.357 29.460 0.070 0.000 1.127 439 W HN 0.034 nan 8.180 nan 0.000 0.556 440 D N -0.150 119.713 120.400 -0.895 0.000 2.593 440 D HA 0.038 4.676 4.640 -0.004 0.000 0.241 440 D C -0.605 175.436 176.300 -0.433 0.000 1.257 440 D CA -0.476 52.997 54.000 -0.877 0.000 0.828 440 D CB -0.813 39.196 40.800 -1.319 0.000 1.049 440 D HN -0.212 nan 8.370 nan 0.000 0.490 441 D N 2.128 122.362 120.400 -0.277 0.000 2.371 441 D HA 0.063 4.700 4.640 -0.004 0.000 0.256 441 D C -1.017 175.192 176.300 -0.152 0.000 1.193 441 D CA -1.821 52.074 54.000 -0.175 0.000 0.881 441 D CB 1.757 42.482 40.800 -0.125 0.000 1.143 441 D HN -0.022 nan 8.370 nan 0.000 0.473 442 P HA -0.159 nan 4.420 nan 0.000 0.221 442 P C 0.955 178.204 177.300 -0.086 0.000 1.145 442 P CA 0.818 63.856 63.100 -0.104 0.000 0.795 442 P CB 0.569 32.217 31.700 -0.087 0.000 0.775 443 E N -0.096 120.055 120.200 -0.083 0.000 2.216 443 E HA 0.192 4.540 4.350 -0.004 0.000 0.192 443 E C 0.982 177.535 176.600 -0.079 0.000 0.988 443 E CA 0.924 57.281 56.400 -0.071 0.000 0.834 443 E CB -0.365 29.298 29.700 -0.062 0.000 0.772 443 E HN 0.264 nan 8.360 nan 0.000 0.479 444 G N -0.634 108.107 108.800 -0.099 0.000 2.712 444 G HA2 -0.150 3.808 3.960 -0.004 0.000 0.683 444 G HA3 -0.150 3.808 3.960 -0.004 0.000 0.683 444 G C -0.449 174.346 174.900 -0.175 0.000 1.320 444 G CA -0.530 44.502 45.100 -0.114 0.000 0.847 444 G HN 0.744 nan 8.290 nan 0.000 0.553 445 V N -2.269 117.495 119.914 -0.249 0.000 2.667 445 V HA 0.910 5.028 4.120 -0.004 0.000 0.308 445 V C -2.241 173.699 176.094 -0.258 0.000 1.048 445 V CA -2.103 59.916 62.300 -0.468 0.000 0.928 445 V CB 2.186 33.341 31.823 -1.114 0.000 1.004 445 V HN 0.890 nan 8.190 nan 0.000 0.444 446 P HA 0.398 nan 4.420 nan 0.000 0.282 446 P C -0.830 176.534 177.300 0.107 0.000 1.262 446 P CA -0.141 62.967 63.100 0.013 0.000 0.773 446 P CB 0.942 32.681 31.700 0.065 0.000 0.879 447 I N 4.090 124.717 120.570 0.096 0.000 2.304 447 I HA 0.152 4.320 4.170 -0.004 0.000 0.291 447 I C 1.003 177.213 176.117 0.154 0.000 1.018 447 I CA 0.155 61.540 61.300 0.142 0.000 1.260 447 I CB 0.776 38.845 38.000 0.115 0.000 1.390 447 I HN 0.299 nan 8.210 nan 0.000 0.475 448 D N 4.665 125.158 120.400 0.155 0.000 2.407 448 D HA 0.290 4.928 4.640 -0.004 0.000 0.208 448 D C 0.451 176.853 176.300 0.171 0.000 1.083 448 D CA 0.456 54.536 54.000 0.133 0.000 0.844 448 D CB 1.383 42.217 40.800 0.056 0.000 0.967 448 D HN 0.590 nan 8.370 nan 0.000 0.506 449 A N 0.563 123.492 122.820 0.181 0.000 2.488 449 A HA 0.653 4.971 4.320 -0.004 0.000 0.298 449 A C -1.147 176.539 177.584 0.169 0.000 1.044 449 A CA -0.538 51.646 52.037 0.246 0.000 0.693 449 A CB 1.367 20.480 19.000 0.189 0.000 1.272 449 A HN 0.007 nan 8.150 nan 0.000 0.402 450 I N 2.350 123.012 120.570 0.154 0.000 2.433 450 I HA 0.462 4.630 4.170 -0.004 0.000 0.292 450 I C -0.912 175.053 176.117 -0.253 0.000 1.001 450 I CA -0.451 60.806 61.300 -0.073 0.000 1.119 450 I CB 1.832 39.779 38.000 -0.087 0.000 1.289 450 I HN 0.507 nan 8.210 nan 0.000 0.438 451 I N 6.004 126.354 120.570 -0.366 0.000 2.418 451 I HA 0.381 4.549 4.170 -0.004 0.000 0.287 451 I C -0.844 175.004 176.117 -0.449 0.000 1.008 451 I CA -0.433 60.697 61.300 -0.284 0.000 1.104 451 I CB 1.238 39.185 38.000 -0.088 0.000 1.264 451 I HN 0.275 nan 8.210 nan 0.000 0.438 452 F N 3.495 123.389 119.950 -0.094 0.000 2.399 452 F HA 0.859 5.384 4.527 -0.004 0.000 0.328 452 F C 0.864 176.450 175.800 -0.356 0.000 1.084 452 F CA -0.716 57.170 58.000 -0.190 0.000 1.053 452 F CB 1.879 40.730 39.000 -0.249 0.000 1.209 452 F HN 0.460 nan 8.300 nan 0.000 0.502 453 G N -0.388 108.371 108.800 -0.068 0.000 2.519 453 G HA2 0.560 4.518 3.960 -0.004 0.000 0.292 453 G HA3 0.560 4.518 3.960 -0.004 0.000 0.292 453 G C -1.348 173.360 174.900 -0.320 0.000 1.507 453 G CA -0.162 44.623 45.100 -0.524 0.000 0.806 453 G HN 0.993 nan 8.290 nan 0.000 0.523 454 G N -0.716 107.889 108.800 -0.324 0.000 2.782 454 G HA2 0.644 4.602 3.960 -0.004 0.000 0.304 454 G HA3 0.644 4.602 3.960 -0.004 0.000 0.304 454 G C -1.226 173.581 174.900 -0.155 0.000 1.315 454 G CA -1.004 43.977 45.100 -0.198 0.000 0.791 454 G HN 0.614 nan 8.290 nan 0.000 0.519 455 R N 0.963 121.317 120.500 -0.243 0.000 2.210 455 R HA 0.478 4.816 4.340 -0.004 0.000 0.338 455 R C -0.612 175.635 176.300 -0.089 0.000 1.062 455 R CA -0.407 55.530 56.100 -0.272 0.000 0.902 455 R CB 0.822 30.799 30.300 -0.540 0.000 1.050 455 R HN 0.135 nan 8.270 nan 0.000 0.461 456 R N 4.061 124.574 120.500 0.021 0.000 2.473 456 R HA 0.196 4.534 4.340 -0.004 0.000 0.303 456 R C -2.084 174.236 176.300 0.033 0.000 1.002 456 R CA -2.099 54.001 56.100 -0.000 0.000 0.884 456 R CB 1.821 32.113 30.300 -0.014 0.000 1.173 456 R HN 0.406 nan 8.270 nan 0.000 0.464 457 P HA -0.058 nan 4.420 nan 0.000 0.223 457 P C -0.198 177.081 177.300 -0.035 0.000 1.151 457 P CA 0.848 63.968 63.100 0.034 0.000 0.787 457 P CB 0.750 32.453 31.700 0.006 0.000 0.788 458 R N -2.413 118.022 120.500 -0.108 0.000 2.707 458 R HA 0.464 4.802 4.340 -0.004 0.000 0.272 458 R C 0.895 176.869 176.300 -0.544 0.000 1.011 458 R CA 0.008 55.966 56.100 -0.237 0.000 0.893 458 R CB 1.077 31.271 30.300 -0.176 0.000 1.233 458 R HN 0.141 nan 8.270 nan 0.000 0.464 459 G N 0.170 108.502 108.800 -0.780 0.000 2.363 459 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.238 459 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.238 459 G C -0.217 174.145 174.900 -0.896 0.000 1.062 459 G CA 0.255 44.419 45.100 -1.560 0.000 0.629 459 G HN 0.376 nan 8.290 nan 0.000 0.514 460 V N 3.629 123.263 119.914 -0.468 0.000 2.364 460 V HA 0.499 4.617 4.120 -0.004 0.000 0.272 460 V C -1.539 174.487 176.094 -0.114 0.000 1.036 460 V CA -1.409 60.839 62.300 -0.087 0.000 0.880 460 V CB 1.481 33.306 31.823 0.003 0.000 0.991 460 V HN 0.197 nan 8.190 nan 0.000 0.460 461 P HA 0.122 nan 4.420 nan 0.000 0.273 461 P C 0.832 177.895 177.300 -0.394 0.000 1.250 461 P CA -0.494 62.432 63.100 -0.290 0.000 0.793 461 P CB 0.711 32.325 31.700 -0.144 0.000 1.011 462 L N 2.020 122.790 121.223 -0.755 0.000 2.043 462 L HA -0.039 4.299 4.340 -0.004 0.000 0.212 462 L C 0.484 177.090 176.870 -0.439 0.000 1.075 462 L CA 2.099 56.523 54.840 -0.694 0.000 0.752 462 L CB -0.170 41.265 42.059 -1.040 0.000 0.891 462 L HN 0.207 nan 8.230 nan 0.000 0.432 463 V N -0.575 119.173 119.914 -0.276 0.000 2.852 463 V HA 0.517 4.635 4.120 -0.004 0.000 0.300 463 V C -1.468 174.720 176.094 0.157 0.000 1.205 463 V CA -0.660 61.632 62.300 -0.013 0.000 0.940 463 V CB 2.157 33.989 31.823 0.014 0.000 1.047 463 V HN -0.238 nan 8.190 nan 0.000 0.429 464 V N 5.568 125.631 119.914 0.249 0.000 2.709 464 V HA 0.559 4.677 4.120 -0.004 0.000 0.308 464 V C -0.354 175.977 176.094 0.394 0.000 1.062 464 V CA -0.603 61.856 62.300 0.266 0.000 0.901 464 V CB 1.969 33.867 31.823 0.126 0.000 1.003 464 V HN 0.963 nan 8.190 nan 0.000 0.425 465 E N 2.898 123.357 120.200 0.431 0.000 2.175 465 E HA 0.687 5.035 4.350 -0.004 0.000 0.278 465 E C 0.052 176.671 176.600 0.031 0.000 0.969 465 E CA -0.541 55.950 56.400 0.151 0.000 0.796 465 E CB 1.753 31.565 29.700 0.186 0.000 1.104 465 E HN 0.914 nan 8.360 nan 0.000 0.395 466 A N 3.569 126.320 122.820 -0.114 0.000 2.466 466 A HA 0.032 4.349 4.320 -0.004 0.000 0.238 466 A C 0.165 177.879 177.584 0.216 0.000 1.074 466 A CA -0.054 51.967 52.037 -0.026 0.000 0.774 466 A CB 0.013 18.966 19.000 -0.078 0.000 1.015 466 A HN 0.743 nan 8.150 nan 0.000 0.498 467 F N 0.912 121.163 119.950 0.502 0.000 2.604 467 F HA 0.292 4.817 4.527 -0.004 0.000 0.298 467 F C 1.613 177.574 175.800 0.268 0.000 1.131 467 F CA 0.968 59.120 58.000 0.254 0.000 1.457 467 F CB -0.577 38.378 39.000 -0.074 0.000 1.095 467 F HN 0.856 nan 8.300 nan 0.000 0.574 468 G N -2.758 106.299 108.800 0.428 0.000 2.321 468 G HA2 -0.007 3.951 3.960 -0.004 0.000 0.296 468 G HA3 -0.007 3.951 3.960 -0.004 0.000 0.296 468 G C -0.244 174.871 174.900 0.358 0.000 1.287 468 G CA -0.372 44.943 45.100 0.357 0.000 0.846 468 G HN 0.074 nan 8.290 nan 0.000 0.508 469 W N 0.489 121.912 121.300 0.204 0.000 2.353 469 W HA -0.059 4.599 4.660 -0.003 0.000 0.319 469 W C 2.372 179.041 176.519 0.250 0.000 1.207 469 W CA 1.940 59.420 57.345 0.225 0.000 1.291 469 W CB -0.015 29.565 29.460 0.200 0.000 1.159 469 W HN 0.614 nan 8.180 nan 0.000 0.478 470 R N -0.794 119.940 120.500 0.389 0.000 2.091 470 R HA -0.249 4.089 4.340 -0.004 0.000 0.238 470 R C 2.599 179.036 176.300 0.228 0.000 1.136 470 R CA 2.039 58.303 56.100 0.274 0.000 0.959 470 R CB -1.130 29.323 30.300 0.255 0.000 0.856 470 R HN 0.367 nan 8.270 nan 0.000 0.437 471 H N -1.126 118.032 119.070 0.147 0.000 2.353 471 H HA -0.092 4.461 4.556 -0.004 0.000 0.300 471 H C 1.809 177.218 175.328 0.136 0.000 1.090 471 H CA 1.382 57.523 56.048 0.155 0.000 1.327 471 H CB -0.011 29.847 29.762 0.161 0.000 1.383 471 H HN 0.364 nan 8.280 nan 0.000 0.508 472 G N 0.229 108.997 108.800 -0.054 0.000 2.422 472 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.218 472 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.218 472 G C 1.853 176.622 174.900 -0.219 0.000 1.146 472 G CA 0.865 45.868 45.100 -0.162 0.000 0.769 472 G HN 0.330 nan 8.290 nan 0.000 0.547 473 V N 0.571 120.376 119.914 -0.182 0.000 2.343 473 V HA -0.151 3.966 4.120 -0.004 0.000 0.247 473 V C 2.322 178.386 176.094 -0.049 0.000 1.051 473 V CA 1.864 64.124 62.300 -0.068 0.000 1.036 473 V CB -0.642 31.226 31.823 0.074 0.000 0.654 473 V HN 0.423 nan 8.190 nan 0.000 0.451 474 F N 0.621 120.503 119.950 -0.112 0.000 2.095 474 F HA -0.252 4.273 4.527 -0.004 0.000 0.298 474 F C 2.322 178.022 175.800 -0.167 0.000 1.104 474 F CA 2.054 60.007 58.000 -0.080 0.000 1.232 474 F CB -0.335 38.670 39.000 0.009 0.000 0.987 474 F HN 0.063 nan 8.300 nan 0.000 0.475 475 M N 0.316 119.605 119.600 -0.518 0.000 2.108 475 M HA -0.144 4.334 4.480 -0.004 0.000 0.261 475 M C 2.536 178.368 176.300 -0.779 0.000 1.066 475 M CA 1.792 56.699 55.300 -0.655 0.000 1.107 475 M CB -1.496 30.845 32.600 -0.432 0.000 1.356 475 M HN 0.374 nan 8.290 nan 0.000 0.406 476 G N 0.424 108.459 108.800 -1.274 0.000 2.446 476 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.217 476 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.217 476 G C 1.640 176.052 174.900 -0.814 0.000 1.168 476 G CA 1.474 45.319 45.100 -2.091 0.000 0.771 476 G HN 0.574 nan 8.290 nan 0.000 0.551 477 S N 0.659 116.188 115.700 -0.285 0.000 2.447 477 S HA 0.275 4.743 4.470 -0.004 0.000 0.233 477 S C 2.260 176.887 174.600 0.044 0.000 1.006 477 S CA 1.339 59.594 58.200 0.093 0.000 0.957 477 S CB -0.166 63.090 63.200 0.094 0.000 0.773 477 S HN 0.626 nan 8.310 nan 0.000 0.507 478 A N 0.669 123.334 122.820 -0.258 0.000 2.275 478 A HA 0.509 4.827 4.320 -0.004 0.000 0.212 478 A C 0.883 178.328 177.584 -0.233 0.000 1.201 478 A CA -0.418 51.450 52.037 -0.282 0.000 0.843 478 A CB -0.539 18.083 19.000 -0.630 0.000 0.873 478 A HN 0.575 nan 8.150 nan 0.000 0.492 479 M N 1.041 120.523 119.600 -0.196 0.000 2.261 479 M HA 0.088 4.565 4.480 -0.004 0.000 0.350 479 M C 0.071 176.267 176.300 -0.173 0.000 1.343 479 M CA 1.017 56.248 55.300 -0.116 0.000 1.003 479 M CB 0.203 32.758 32.600 -0.075 0.000 1.848 479 M HN 0.284 nan 8.290 nan 0.000 0.456 480 R N 1.345 121.725 120.500 -0.200 0.000 2.744 480 R HA 0.700 5.038 4.340 -0.004 0.000 0.279 480 R C -1.195 174.994 176.300 -0.184 0.000 0.977 480 R CA -0.752 55.163 56.100 -0.307 0.000 0.906 480 R CB 2.411 32.418 30.300 -0.488 0.000 1.197 480 R HN 0.627 nan 8.270 nan 0.000 0.463 481 S N 0.740 116.329 115.700 -0.184 0.000 2.543 481 S HA 0.173 4.641 4.470 -0.004 0.000 0.271 481 S C -1.379 173.133 174.600 -0.148 0.000 1.148 481 S CA -0.825 57.287 58.200 -0.146 0.000 0.914 481 S CB 1.255 64.386 63.200 -0.115 0.000 1.096 481 S HN 0.541 nan 8.310 nan 0.000 0.471 482 E N 2.222 122.334 120.200 -0.145 0.000 2.415 482 E HA 0.343 4.691 4.350 -0.004 0.000 0.263 482 E C 0.432 176.967 176.600 -0.109 0.000 0.995 482 E CA -0.059 56.267 56.400 -0.123 0.000 0.915 482 E CB 0.562 30.192 29.700 -0.116 0.000 0.951 482 E HN 0.663 nan 8.360 nan 0.000 0.449 483 A N 3.376 126.150 122.820 -0.077 0.000 2.498 483 A HA 0.182 4.500 4.320 -0.004 0.000 0.239 483 A C 0.613 178.180 177.584 -0.028 0.000 1.068 483 A CA 0.063 52.080 52.037 -0.033 0.000 0.766 483 A CB 0.143 19.151 19.000 0.013 0.000 1.003 483 A HN 0.689 nan 8.150 nan 0.000 0.497 484 T N -1.745 112.806 114.554 -0.006 0.000 2.804 484 T HA 0.642 4.990 4.350 -0.004 0.000 0.272 484 T C 0.862 175.559 174.700 -0.005 0.000 0.986 484 T CA -0.017 62.069 62.100 -0.023 0.000 0.999 484 T CB 1.290 70.139 68.868 -0.032 0.000 1.307 484 T HN 1.265 nan 8.240 nan 0.000 0.586 485 A N -0.499 122.304 122.820 -0.027 0.000 2.238 485 A HA 0.561 4.879 4.320 -0.004 0.000 0.208 485 A C 2.193 179.771 177.584 -0.009 0.000 1.177 485 A CA 0.685 52.703 52.037 -0.032 0.000 0.804 485 A CB -1.290 17.662 19.000 -0.080 0.000 0.823 485 A HN 1.113 nan 8.150 nan 0.000 0.482 486 A N -0.830 122.003 122.820 0.021 0.000 2.119 486 A HA 0.494 4.812 4.320 -0.004 0.000 0.217 486 A C 1.343 178.960 177.584 0.055 0.000 1.153 486 A CA 1.441 53.514 52.037 0.061 0.000 0.692 486 A CB -0.318 18.753 19.000 0.118 0.000 0.799 486 A HN 1.047 nan 8.150 nan 0.000 0.458 487 A N -0.810 122.022 122.820 0.019 0.000 2.973 487 A HA 0.581 4.898 4.320 -0.004 0.000 0.267 487 A C 0.667 178.175 177.584 -0.126 0.000 1.210 487 A CA 0.303 52.313 52.037 -0.046 0.000 0.749 487 A CB 0.097 19.074 19.000 -0.037 0.000 1.373 487 A HN 0.139 nan 8.150 nan 0.000 0.585 488 E N 0.769 120.798 120.200 -0.285 0.000 2.479 488 E HA 0.004 4.352 4.350 -0.004 0.000 0.193 488 E C -0.617 175.825 176.600 -0.264 0.000 1.049 488 E CA 0.024 56.267 56.400 -0.262 0.000 0.870 488 E CB -0.348 29.211 29.700 -0.236 0.000 0.944 488 E HN 0.592 nan 8.360 nan 0.000 0.492 489 H N 1.840 120.904 119.070 -0.010 0.000 2.652 489 H HA 0.164 4.718 4.556 -0.004 0.000 0.349 489 H C 0.027 175.345 175.328 -0.017 0.000 1.099 489 H CA -0.453 55.588 56.048 -0.012 0.000 1.417 489 H CB 1.029 30.781 29.762 -0.017 0.000 1.457 489 H HN -0.067 nan 8.280 nan 0.000 0.568 490 K N 2.137 122.603 120.400 0.110 0.000 2.404 490 K HA -0.043 4.275 4.320 -0.004 0.000 0.271 490 K C 0.460 177.083 176.600 0.038 0.000 1.130 490 K CA 0.088 56.405 56.287 0.051 0.000 1.181 490 K CB -0.300 32.224 32.500 0.040 0.000 0.840 490 K HN 0.816 nan 8.250 nan 0.000 0.483 491 G N 3.136 111.944 108.800 0.012 0.000 2.265 491 G HA2 0.331 4.289 3.960 -0.004 0.000 0.240 491 G HA3 0.331 4.289 3.960 -0.004 0.000 0.240 491 G C 1.013 175.903 174.900 -0.017 0.000 1.270 491 G CA -0.014 45.081 45.100 -0.009 0.000 0.901 491 G HN 1.213 nan 8.290 nan 0.000 0.507 492 G N 1.855 110.636 108.800 -0.032 0.000 2.279 492 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.223 492 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.223 492 G C 0.891 175.763 174.900 -0.046 0.000 1.015 492 G CA 0.396 45.472 45.100 -0.041 0.000 0.621 492 G HN 0.993 nan 8.290 nan 0.000 0.506 493 R N 0.915 121.394 120.500 -0.036 0.000 2.486 493 R HA 0.278 4.616 4.340 -0.004 0.000 0.303 493 R C 0.171 176.423 176.300 -0.081 0.000 0.958 493 R CA -0.284 55.788 56.100 -0.048 0.000 1.077 493 R CB -0.038 30.244 30.300 -0.030 0.000 0.921 493 R HN 0.402 nan 8.270 nan 0.000 0.406 494 L N 6.379 127.545 121.223 -0.096 0.000 2.361 494 L HA 0.242 4.579 4.340 -0.004 0.000 0.278 494 L C -0.634 176.133 176.870 -0.171 0.000 1.113 494 L CA 0.835 55.593 54.840 -0.137 0.000 0.849 494 L CB 0.712 42.686 42.059 -0.141 0.000 1.155 494 L HN 0.697 nan 8.230 nan 0.000 0.452 495 M N 4.351 123.830 119.600 -0.202 0.000 2.464 495 M HA 0.387 4.865 4.480 -0.004 0.000 0.308 495 M C -0.708 175.426 176.300 -0.276 0.000 1.127 495 M CA -0.743 54.436 55.300 -0.202 0.000 0.913 495 M CB 1.870 34.355 32.600 -0.191 0.000 1.689 495 M HN 0.448 nan 8.290 nan 0.000 0.445 496 H N 1.677 120.581 119.070 -0.276 0.000 2.928 496 H HA 0.047 4.601 4.556 -0.004 0.000 0.338 496 H C -0.811 174.422 175.328 -0.158 0.000 1.047 496 H CA 0.986 56.815 56.048 -0.366 0.000 1.435 496 H CB 0.692 29.927 29.762 -0.879 0.000 1.428 496 H HN 0.484 nan 8.280 nan 0.000 0.590 497 D N 4.251 124.648 120.400 -0.005 0.000 2.714 497 D HA 0.145 4.783 4.640 -0.004 0.000 0.264 497 D C -2.709 173.669 176.300 0.131 0.000 1.231 497 D CA -1.590 52.451 54.000 0.068 0.000 0.802 497 D CB 0.875 41.688 40.800 0.022 0.000 1.319 497 D HN 0.268 nan 8.370 nan 0.000 0.528 498 P HA 0.014 nan 4.420 nan 0.000 0.263 498 P C 0.255 177.800 177.300 0.409 0.000 1.195 498 P CA -0.033 63.281 63.100 0.356 0.000 0.762 498 P CB 0.035 32.094 31.700 0.598 0.000 0.799 499 F N 1.693 121.626 119.950 -0.029 0.000 3.069 499 F HA -0.291 4.234 4.527 -0.004 0.000 0.285 499 F C 1.461 177.350 175.800 0.148 0.000 0.827 499 F CA 1.100 59.120 58.000 0.034 0.000 1.108 499 F CB -2.616 36.460 39.000 0.127 0.000 1.252 499 F HN 0.600 nan 8.300 nan 0.000 0.483 500 A N -1.593 121.372 122.820 0.242 0.000 2.790 500 A HA -0.302 4.015 4.320 -0.004 0.000 0.277 500 A C 1.426 179.210 177.584 0.333 0.000 1.435 500 A CA 1.686 53.892 52.037 0.283 0.000 0.877 500 A CB -1.341 17.835 19.000 0.292 0.000 1.007 500 A HN 0.414 nan 8.150 nan 0.000 0.613 501 M N -1.541 118.090 119.600 0.052 0.000 2.313 501 M HA 0.144 4.622 4.480 -0.004 0.000 0.273 501 M C 1.654 177.470 176.300 -0.808 0.000 1.049 501 M CA 0.466 55.554 55.300 -0.355 0.000 1.004 501 M CB -0.444 31.642 32.600 -0.858 0.000 1.461 501 M HN 0.643 nan 8.290 nan 0.000 0.514 502 R N 1.758 122.055 120.500 -0.339 0.000 2.113 502 R HA -0.157 4.181 4.340 -0.004 0.000 0.244 502 R C -1.080 175.059 176.300 -0.267 0.000 1.142 502 R CA 1.854 57.880 56.100 -0.125 0.000 0.953 502 R CB -1.015 29.308 30.300 0.039 0.000 0.860 502 R HN 0.176 nan 8.270 nan 0.000 0.438 503 P HA 0.021 nan 4.420 nan 0.000 0.245 503 P C -0.203 176.581 177.300 -0.860 0.000 1.212 503 P CA 0.879 63.514 63.100 -0.776 0.000 0.774 503 P CB 0.152 31.141 31.700 -1.185 0.000 0.999 504 F N -3.451 116.342 119.950 -0.262 0.000 2.856 504 F HA 0.310 4.835 4.527 -0.003 0.000 0.338 504 F C 0.537 176.167 175.800 -0.282 0.000 1.100 504 F CA -1.065 56.774 58.000 -0.268 0.000 1.150 504 F CB -0.598 38.227 39.000 -0.292 0.000 1.101 504 F HN -0.315 nan 8.300 nan 0.000 0.548 505 F N 0.994 120.904 119.950 -0.067 0.000 2.608 505 F HA 0.329 4.853 4.527 -0.004 0.000 0.380 505 F C 1.623 177.371 175.800 -0.087 0.000 1.083 505 F CA 0.233 58.131 58.000 -0.169 0.000 1.266 505 F CB 0.389 39.217 39.000 -0.286 0.000 1.076 505 F HN 0.111 nan 8.300 nan 0.000 0.574 506 G N 2.457 111.377 108.800 0.199 0.000 3.126 506 G HA2 0.243 4.200 3.960 -0.004 0.000 0.224 506 G HA3 0.243 4.200 3.960 -0.004 0.000 0.224 506 G C -0.684 174.405 174.900 0.315 0.000 1.142 506 G CA 0.189 45.414 45.100 0.209 0.000 0.759 506 G HN 0.642 nan 8.290 nan 0.000 0.550 507 Y N -2.651 117.705 120.300 0.093 0.000 2.764 507 Y HA 0.499 5.047 4.550 -0.003 0.000 0.331 507 Y C -0.639 175.250 175.900 -0.018 0.000 1.280 507 Y CA -2.410 55.713 58.100 0.039 0.000 1.065 507 Y CB 0.132 38.605 38.460 0.022 0.000 1.319 507 Y HN -0.150 nan 8.280 nan 0.000 0.453 508 N N 1.057 119.736 118.700 -0.036 0.000 2.256 508 N HA -0.075 4.663 4.740 -0.004 0.000 0.277 508 N C 1.017 176.278 175.510 -0.414 0.000 1.362 508 N CA 1.037 53.977 53.050 -0.183 0.000 0.861 508 N CB 1.307 39.775 38.487 -0.031 0.000 1.136 508 N HN 0.980 nan 8.380 nan 0.000 0.492 509 A N 4.135 126.569 122.820 -0.643 0.000 2.019 509 A HA -0.065 4.253 4.320 -0.004 0.000 0.219 509 A C 2.048 179.552 177.584 -0.133 0.000 1.164 509 A CA 1.688 53.195 52.037 -0.883 0.000 0.644 509 A CB -0.757 17.359 19.000 -1.473 0.000 0.805 509 A HN 0.748 nan 8.150 nan 0.000 0.449 510 G N -0.228 108.592 108.800 0.033 0.000 2.446 510 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.217 510 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.217 510 G C 1.757 176.743 174.900 0.143 0.000 1.168 510 G CA 0.893 46.132 45.100 0.231 0.000 0.771 510 G HN 0.584 nan 8.290 nan 0.000 0.551 511 R N -1.006 119.565 120.500 0.118 0.000 2.096 511 R HA -0.074 4.264 4.340 -0.004 0.000 0.235 511 R C 2.307 178.819 176.300 0.352 0.000 1.127 511 R CA 1.220 57.453 56.100 0.220 0.000 0.968 511 R CB -0.562 29.907 30.300 0.281 0.000 0.861 511 R HN 0.536 nan 8.270 nan 0.000 0.440 512 Y N 1.775 122.124 120.300 0.082 0.000 2.128 512 Y HA -0.216 4.332 4.550 -0.003 0.000 0.284 512 Y C 1.920 177.971 175.900 0.253 0.000 1.154 512 Y CA 1.490 59.685 58.100 0.159 0.000 1.149 512 Y CB -0.271 38.084 38.460 -0.175 0.000 0.976 512 Y HN -0.064 nan 8.280 nan 0.000 0.505 513 L N 0.017 121.395 121.223 0.257 0.000 2.017 513 L HA -0.219 4.119 4.340 -0.004 0.000 0.208 513 L C 2.557 179.522 176.870 0.157 0.000 1.073 513 L CA 1.592 56.508 54.840 0.126 0.000 0.745 513 L CB -0.658 41.448 42.059 0.078 0.000 0.894 513 L HN 0.250 nan 8.230 nan 0.000 0.432 514 E N -0.565 119.734 120.200 0.164 0.000 2.118 514 E HA -0.290 4.058 4.350 -0.004 0.000 0.195 514 E C 2.036 178.755 176.600 0.199 0.000 0.992 514 E CA 1.546 58.044 56.400 0.162 0.000 0.804 514 E CB -0.395 29.388 29.700 0.139 0.000 0.741 514 E HN 0.538 nan 8.360 nan 0.000 0.458 515 H N -0.638 118.496 119.070 0.106 0.000 2.353 515 H HA -0.151 4.403 4.556 -0.004 0.000 0.300 515 H C 1.742 177.079 175.328 0.016 0.000 1.090 515 H CA 1.856 57.926 56.048 0.036 0.000 1.327 515 H CB -0.432 29.340 29.762 0.018 0.000 1.383 515 H HN 0.129 nan 8.280 nan 0.000 0.508 516 W N 0.517 121.731 121.300 -0.142 0.000 2.358 516 W HA -0.110 4.549 4.660 -0.002 0.000 0.303 516 W C 2.473 179.172 176.519 0.300 0.000 1.208 516 W CA 1.369 58.696 57.345 -0.029 0.000 1.274 516 W CB -0.465 28.890 29.460 -0.174 0.000 1.138 516 W HN 0.189 nan 8.180 nan 0.000 0.515 517 L N -0.595 120.893 121.223 0.441 0.000 1.989 517 L HA -0.305 4.033 4.340 -0.004 0.000 0.211 517 L C 2.454 179.499 176.870 0.292 0.000 1.071 517 L CA 1.711 56.807 54.840 0.426 0.000 0.749 517 L CB -1.258 40.957 42.059 0.260 0.000 0.890 517 L HN -0.163 nan 8.230 nan 0.000 0.431 518 S N -0.982 114.806 115.700 0.147 0.000 2.382 518 S HA -0.179 4.289 4.470 -0.004 0.000 0.228 518 S C 1.968 176.542 174.600 -0.043 0.000 1.027 518 S CA 1.721 59.948 58.200 0.045 0.000 0.991 518 S CB -0.407 62.824 63.200 0.051 0.000 0.823 518 S HN 0.451 nan 8.310 nan 0.000 0.469 519 T N 1.596 116.101 114.554 -0.082 0.000 2.759 519 T HA -0.086 4.262 4.350 -0.004 0.000 0.269 519 T C 1.967 176.488 174.700 -0.300 0.000 1.042 519 T CA 1.402 63.416 62.100 -0.144 0.000 1.140 519 T CB -0.682 68.052 68.868 -0.224 0.000 0.864 519 T HN 0.577 nan 8.240 nan 0.000 0.455 520 G N 0.627 109.151 108.800 -0.460 0.000 2.598 520 G HA2 0.039 3.997 3.960 -0.004 0.000 0.215 520 G HA3 0.039 3.997 3.960 -0.004 0.000 0.215 520 G C 1.195 175.751 174.900 -0.574 0.000 1.131 520 G CA 0.081 44.448 45.100 -1.222 0.000 0.785 520 G HN 0.467 nan 8.290 nan 0.000 0.539 521 L N 0.003 121.049 121.223 -0.296 0.000 2.592 521 L HA 0.266 4.604 4.340 -0.004 0.000 0.227 521 L C 1.303 178.043 176.870 -0.217 0.000 1.127 521 L CA -0.633 54.094 54.840 -0.189 0.000 0.884 521 L CB -0.049 41.960 42.059 -0.083 0.000 1.065 521 L HN 0.032 nan 8.230 nan 0.000 0.457 522 R N 1.345 121.657 120.500 -0.313 0.000 2.502 522 R HA -0.009 4.329 4.340 -0.004 0.000 0.292 522 R C 0.049 176.163 176.300 -0.311 0.000 0.998 522 R CA 0.250 56.149 56.100 -0.335 0.000 1.056 522 R CB 0.169 30.136 30.300 -0.554 0.000 0.939 522 R HN 0.005 nan 8.270 nan 0.000 0.411 523 S N 5.532 121.104 115.700 -0.213 0.000 2.544 523 S HA 0.013 4.481 4.470 -0.004 0.000 0.290 523 S C 0.046 174.530 174.600 -0.194 0.000 1.276 523 S CA 0.176 58.275 58.200 -0.168 0.000 1.075 523 S CB 0.050 63.181 63.200 -0.114 0.000 0.849 523 S HN 0.847 nan 8.310 nan 0.000 0.494 524 N N -0.648 117.950 118.700 -0.170 0.000 2.753 524 N HA -0.195 4.543 4.740 -0.004 0.000 0.251 524 N C 0.047 175.433 175.510 -0.206 0.000 1.097 524 N CA 0.961 53.920 53.050 -0.151 0.000 0.786 524 N CB -1.667 36.755 38.487 -0.107 0.000 1.137 524 N HN 0.800 nan 8.380 nan 0.000 0.566 525 A N 0.835 123.452 122.820 -0.338 0.000 2.511 525 A HA 0.209 4.527 4.320 -0.004 0.000 0.242 525 A C 0.867 178.304 177.584 -0.246 0.000 1.069 525 A CA 0.111 51.850 52.037 -0.496 0.000 0.763 525 A CB 0.330 18.772 19.000 -0.929 0.000 1.001 525 A HN 0.204 nan 8.150 nan 0.000 0.498 526 R N 2.989 123.429 120.500 -0.100 0.000 2.419 526 R HA 0.205 4.543 4.340 -0.004 0.000 0.305 526 R C -0.827 175.545 176.300 0.120 0.000 1.242 526 R CA -0.074 56.039 56.100 0.022 0.000 1.105 526 R CB -0.060 30.280 30.300 0.067 0.000 1.116 526 R HN 0.647 nan 8.270 nan 0.000 0.523 527 L N 5.126 126.389 121.223 0.067 0.000 2.416 527 L HA 0.191 4.529 4.340 -0.004 0.000 0.272 527 L C -1.453 175.584 176.870 0.278 0.000 1.161 527 L CA -1.683 53.254 54.840 0.161 0.000 0.845 527 L CB 0.198 42.286 42.059 0.048 0.000 1.119 527 L HN 0.217 nan 8.230 nan 0.000 0.464 528 P HA 0.172 nan 4.420 nan 0.000 0.274 528 P C -0.827 176.691 177.300 0.363 0.000 1.231 528 P CA -0.451 62.855 63.100 0.344 0.000 0.790 528 P CB 0.656 32.565 31.700 0.348 0.000 0.951 529 R N 0.925 121.579 120.500 0.258 0.000 2.539 529 R HA 0.428 4.766 4.340 -0.004 0.000 0.275 529 R C -0.024 176.300 176.300 0.040 0.000 1.077 529 R CA -0.550 55.618 56.100 0.114 0.000 1.097 529 R CB 0.230 30.536 30.300 0.010 0.000 1.018 529 R HN 0.461 nan 8.270 nan 0.000 0.483 530 L N 3.386 124.500 121.223 -0.181 0.000 2.317 530 L HA 0.547 4.884 4.340 -0.004 0.000 0.281 530 L C -0.673 175.971 176.870 -0.377 0.000 1.024 530 L CA -0.498 54.249 54.840 -0.155 0.000 0.810 530 L CB 0.810 42.828 42.059 -0.069 0.000 1.240 530 L HN 0.458 nan 8.230 nan 0.000 0.427 531 F N 0.392 120.334 119.950 -0.014 0.000 2.629 531 F HA 0.503 5.028 4.527 -0.004 0.000 0.316 531 F C -0.084 175.774 175.800 0.096 0.000 1.081 531 F CA -0.748 57.296 58.000 0.074 0.000 0.954 531 F CB 1.803 40.852 39.000 0.082 0.000 1.337 531 F HN 0.389 nan 8.300 nan 0.000 0.474 532 H N 1.589 120.795 119.070 0.227 0.000 2.689 532 H HA 0.649 5.203 4.556 -0.004 0.000 0.346 532 H C -1.623 173.698 175.328 -0.012 0.000 1.037 532 H CA -0.570 55.541 56.048 0.104 0.000 1.234 532 H CB 1.746 31.537 29.762 0.048 0.000 1.572 532 H HN 0.569 nan 8.280 nan 0.000 0.524 533 V N 2.991 122.657 119.914 -0.414 0.000 2.994 533 V HA 0.577 4.695 4.120 -0.004 0.000 0.318 533 V C -0.351 175.331 176.094 -0.687 0.000 1.085 533 V CA -0.968 60.992 62.300 -0.567 0.000 0.998 533 V CB 2.003 33.240 31.823 -0.976 0.000 1.063 533 V HN 0.756 nan 8.190 nan 0.000 0.447 534 N N 1.084 119.401 118.700 -0.639 0.000 2.558 534 N HA 0.397 5.135 4.740 -0.004 0.000 0.285 534 N C -0.406 174.845 175.510 -0.431 0.000 1.112 534 N CA -0.676 52.081 53.050 -0.490 0.000 0.857 534 N CB 1.109 39.469 38.487 -0.211 0.000 1.376 534 N HN 0.917 nan 8.380 nan 0.000 0.526 535 W N 1.968 122.883 121.300 -0.641 0.000 2.937 535 W HA 0.175 4.833 4.660 -0.004 0.000 0.245 535 W C 0.125 176.108 176.519 -0.895 0.000 1.306 535 W CA -0.309 56.488 57.345 -0.912 0.000 1.470 535 W CB 0.183 28.758 29.460 -1.476 0.000 1.132 535 W HN 0.438 nan 8.180 nan 0.000 0.675 536 F N 0.098 120.025 119.950 -0.038 0.000 2.698 536 F HA 0.297 4.822 4.527 -0.004 0.000 0.304 536 F C 0.748 176.665 175.800 0.194 0.000 1.108 536 F CA -0.612 57.392 58.000 0.007 0.000 1.263 536 F CB -0.624 38.363 39.000 -0.021 0.000 1.013 536 F HN -0.367 nan 8.300 nan 0.000 0.532 537 L N 2.364 123.700 121.223 0.189 0.000 2.525 537 L HA 0.095 4.433 4.340 -0.004 0.000 0.278 537 L C 0.619 177.615 176.870 0.209 0.000 1.218 537 L CA 0.389 55.297 54.840 0.113 0.000 0.878 537 L CB 0.313 42.358 42.059 -0.023 0.000 1.127 537 L HN 0.145 nan 8.230 nan 0.000 0.492 538 R N 1.885 122.445 120.500 0.100 0.000 2.532 538 R HA 0.309 4.647 4.340 -0.004 0.000 0.295 538 R C -0.765 175.533 176.300 -0.003 0.000 0.968 538 R CA -0.866 55.257 56.100 0.038 0.000 0.916 538 R CB 1.750 32.022 30.300 -0.046 0.000 1.124 538 R HN 0.616 nan 8.270 nan 0.000 0.463 539 D N 0.425 120.820 120.400 -0.009 0.000 2.539 539 D HA 0.106 4.744 4.640 -0.004 0.000 0.276 539 D C -0.508 175.775 176.300 -0.028 0.000 1.206 539 D CA -0.600 53.392 54.000 -0.013 0.000 1.081 539 D CB 0.576 41.380 40.800 0.005 0.000 1.142 539 D HN 0.259 nan 8.370 nan 0.000 0.595 540 N N 0.346 119.034 118.700 -0.020 0.000 2.804 540 N HA 0.348 5.086 4.740 -0.004 0.000 0.251 540 N C -1.048 174.451 175.510 -0.017 0.000 1.250 540 N CA -0.381 52.656 53.050 -0.022 0.000 0.820 540 N CB 1.292 39.769 38.487 -0.017 0.000 1.156 540 N HN 0.365 nan 8.380 nan 0.000 0.512 541 E N -0.672 119.515 120.200 -0.022 0.000 2.408 541 E HA 0.710 5.058 4.350 -0.004 0.000 0.275 541 E C 0.023 176.600 176.600 -0.038 0.000 0.935 541 E CA -0.687 55.693 56.400 -0.033 0.000 0.775 541 E CB 1.731 31.412 29.700 -0.031 0.000 1.277 541 E HN 0.373 nan 8.360 nan 0.000 0.455 542 G N 1.202 109.968 108.800 -0.058 0.000 3.979 542 G HA2 0.139 4.097 3.960 -0.004 0.000 0.287 542 G HA3 0.139 4.097 3.960 -0.004 0.000 0.287 542 G C -0.021 174.798 174.900 -0.136 0.000 1.011 542 G CA -0.273 44.778 45.100 -0.082 0.000 0.818 542 G HN 0.142 nan 8.290 nan 0.000 0.470 543 R N -0.414 120.019 120.500 -0.111 0.000 2.822 543 R HA 0.305 4.643 4.340 -0.004 0.000 0.277 543 R C -0.457 175.766 176.300 -0.127 0.000 1.102 543 R CA -0.402 55.614 56.100 -0.141 0.000 1.207 543 R CB 0.456 30.736 30.300 -0.033 0.000 1.139 543 R HN 0.095 nan 8.270 nan 0.000 0.557 544 F N 0.368 120.340 119.950 0.036 0.000 2.538 544 F HA -0.049 4.476 4.527 -0.003 0.000 0.371 544 F C 1.604 177.419 175.800 0.025 0.000 1.087 544 F CA -0.096 57.930 58.000 0.043 0.000 1.250 544 F CB 0.354 39.387 39.000 0.055 0.000 1.110 544 F HN 0.214 nan 8.300 nan 0.000 0.570 545 V N 3.460 123.515 119.914 0.236 0.000 2.407 545 V HA -0.239 3.879 4.120 -0.004 0.000 0.248 545 V C 0.615 176.824 176.094 0.191 0.000 1.055 545 V CA 1.111 63.500 62.300 0.148 0.000 1.049 545 V CB -0.422 31.455 31.823 0.089 0.000 0.662 545 V HN 0.704 nan 8.190 nan 0.000 0.455 546 W N 2.356 123.632 121.300 -0.039 0.000 2.429 546 W HA 0.325 4.983 4.660 -0.004 0.000 0.314 546 W C -1.939 174.493 176.519 -0.145 0.000 1.062 546 W CA -2.136 55.133 57.345 -0.127 0.000 1.211 546 W CB 2.164 31.516 29.460 -0.180 0.000 1.305 546 W HN 0.122 nan 8.180 nan 0.000 0.476 547 P HA -0.010 nan 4.420 nan 0.000 0.221 547 P C 0.971 177.969 177.300 -0.503 0.000 1.150 547 P CA 1.748 64.547 63.100 -0.500 0.000 0.800 547 P CB 0.510 31.889 31.700 -0.535 0.000 0.787 548 G N -0.502 107.706 108.800 -0.986 0.000 2.601 548 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.252 548 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.252 548 G C 0.056 174.649 174.900 -0.512 0.000 1.294 548 G CA -0.176 44.446 45.100 -0.797 0.000 0.912 548 G HN 0.151 nan 8.290 nan 0.000 0.574 549 F N -1.828 117.849 119.950 -0.455 0.000 3.078 549 F HA -0.295 4.229 4.527 -0.004 0.000 0.250 549 F C 2.741 178.341 175.800 -0.334 0.000 1.463 549 F CA 2.888 60.690 58.000 -0.329 0.000 1.788 549 F CB -1.723 37.136 39.000 -0.235 0.000 0.886 549 F HN 1.690 nan 8.300 nan 0.000 0.305 550 G N -1.041 107.699 108.800 -0.099 0.000 2.462 550 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.220 550 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.220 550 G C 1.098 175.808 174.900 -0.317 0.000 1.121 550 G CA 1.340 46.297 45.100 -0.237 0.000 0.758 550 G HN 0.712 nan 8.290 nan 0.000 0.559 551 H N 0.543 119.466 119.070 -0.245 0.000 2.524 551 H HA 0.018 4.572 4.556 -0.004 0.000 0.282 551 H C 2.064 177.311 175.328 -0.135 0.000 1.016 551 H CA 0.841 56.707 56.048 -0.303 0.000 1.270 551 H CB 0.061 29.440 29.762 -0.637 0.000 1.394 551 H HN 0.260 nan 8.280 nan 0.000 0.568 552 N N 1.104 119.712 118.700 -0.154 0.000 2.443 552 N HA -0.086 4.652 4.740 -0.004 0.000 0.184 552 N C 1.942 177.381 175.510 -0.117 0.000 1.037 552 N CA 0.797 53.687 53.050 -0.266 0.000 0.896 552 N CB -0.147 37.854 38.487 -0.810 0.000 0.959 552 N HN 0.329 nan 8.380 nan 0.000 0.442 553 A N 1.171 123.924 122.820 -0.113 0.000 2.019 553 A HA -0.122 4.195 4.320 -0.004 0.000 0.219 553 A C 2.222 179.676 177.584 -0.216 0.000 1.164 553 A CA 1.013 52.956 52.037 -0.156 0.000 0.644 553 A CB -0.304 18.605 19.000 -0.151 0.000 0.805 553 A HN 0.251 nan 8.150 nan 0.000 0.449 554 R N -0.867 119.606 120.500 -0.044 0.000 2.092 554 R HA -0.046 4.292 4.340 -0.004 0.000 0.231 554 R C 1.945 178.257 176.300 0.020 0.000 1.119 554 R CA 1.355 57.459 56.100 0.007 0.000 0.970 554 R CB -0.460 29.985 30.300 0.242 0.000 0.864 554 R HN 0.385 nan 8.270 nan 0.000 0.440 555 V N 1.363 121.316 119.914 0.065 0.000 2.307 555 V HA -0.187 3.931 4.120 -0.004 0.000 0.245 555 V C 2.253 178.397 176.094 0.083 0.000 1.045 555 V CA 1.546 63.901 62.300 0.092 0.000 1.024 555 V CB -0.404 31.509 31.823 0.149 0.000 0.651 555 V HN 0.276 nan 8.190 nan 0.000 0.449 556 L N 0.171 121.388 121.223 -0.010 0.000 2.083 556 L HA -0.175 4.162 4.340 -0.004 0.000 0.209 556 L C 2.758 179.517 176.870 -0.186 0.000 1.083 556 L CA 1.487 56.288 54.840 -0.064 0.000 0.752 556 L CB -0.883 41.148 42.059 -0.047 0.000 0.899 556 L HN 0.384 nan 8.230 nan 0.000 0.433 557 A N -0.289 122.239 122.820 -0.485 0.000 1.883 557 A HA -0.287 4.031 4.320 -0.004 0.000 0.217 557 A C 2.012 179.515 177.584 -0.135 0.000 1.186 557 A CA 1.797 53.324 52.037 -0.850 0.000 0.624 557 A CB -1.080 17.205 19.000 -1.192 0.000 0.822 557 A HN 0.626 nan 8.150 nan 0.000 0.444 558 W N 0.581 121.797 121.300 -0.141 0.000 2.358 558 W HA -0.147 4.511 4.660 -0.003 0.000 0.303 558 W C 1.800 178.329 176.519 0.016 0.000 1.208 558 W CA 1.851 59.192 57.345 -0.006 0.000 1.274 558 W CB -0.241 29.230 29.460 0.017 0.000 1.138 558 W HN 0.307 nan 8.180 nan 0.000 0.515 559 I N -0.387 120.157 120.570 -0.044 0.000 2.179 559 I HA -0.315 3.853 4.170 -0.004 0.000 0.242 559 I C 2.392 178.371 176.117 -0.229 0.000 1.088 559 I CA 1.569 62.629 61.300 -0.400 0.000 1.357 559 I CB -0.858 36.786 38.000 -0.594 0.000 1.051 559 I HN -0.042 nan 8.210 nan 0.000 0.409 560 F N 1.806 121.657 119.950 -0.165 0.000 2.095 560 F HA -0.180 4.345 4.527 -0.004 0.000 0.298 560 F C 2.368 178.162 175.800 -0.010 0.000 1.104 560 F CA 1.746 59.742 58.000 -0.006 0.000 1.232 560 F CB -0.875 38.239 39.000 0.191 0.000 0.987 560 F HN 0.012 nan 8.300 nan 0.000 0.475 561 G N 0.375 109.326 108.800 0.252 0.000 2.469 561 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.219 561 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.219 561 G C 1.851 176.670 174.900 -0.134 0.000 1.150 561 G CA 0.749 45.898 45.100 0.083 0.000 0.763 561 G HN 0.202 nan 8.290 nan 0.000 0.561 562 R N 0.156 120.453 120.500 -0.337 0.000 2.092 562 R HA 0.092 4.430 4.340 -0.004 0.000 0.231 562 R C 2.623 178.834 176.300 -0.148 0.000 1.119 562 R CA 0.613 56.513 56.100 -0.334 0.000 0.970 562 R CB -0.754 29.259 30.300 -0.479 0.000 0.864 562 R HN 0.476 nan 8.270 nan 0.000 0.440 563 I N 1.218 121.719 120.570 -0.114 0.000 2.264 563 I HA -0.281 3.887 4.170 -0.004 0.000 0.248 563 I C 2.136 178.173 176.117 -0.134 0.000 1.111 563 I CA 1.386 62.618 61.300 -0.113 0.000 1.382 563 I CB -0.285 37.583 38.000 -0.220 0.000 1.060 563 I HN 0.165 nan 8.210 nan 0.000 0.418 564 Q N 0.497 120.216 119.800 -0.136 0.000 2.488 564 Q HA 0.026 4.363 4.340 -0.004 0.000 0.211 564 Q C 1.387 177.358 176.000 -0.049 0.000 0.967 564 Q CA 0.699 56.460 55.803 -0.070 0.000 0.926 564 Q CB 0.241 28.992 28.738 0.021 0.000 0.992 564 Q HN 0.692 nan 8.270 nan 0.000 0.506 565 G N 1.529 110.284 108.800 -0.076 0.000 2.132 565 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.228 565 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.228 565 G C -0.291 174.562 174.900 -0.079 0.000 1.000 565 G CA -0.235 44.818 45.100 -0.079 0.000 0.693 565 G HN 0.190 nan 8.290 nan 0.000 0.515 566 R N 0.252 120.703 120.500 -0.081 0.000 2.491 566 R HA 0.368 4.706 4.340 -0.004 0.000 0.283 566 R C 0.241 176.492 176.300 -0.083 0.000 1.072 566 R CA -0.118 55.949 56.100 -0.055 0.000 1.048 566 R CB 0.506 30.795 30.300 -0.018 0.000 0.983 566 R HN 0.201 nan 8.270 nan 0.000 0.450 567 D N 1.882 122.257 120.400 -0.043 0.000 2.597 567 D HA -0.028 4.610 4.640 -0.004 0.000 0.228 567 D C 0.092 176.404 176.300 0.019 0.000 1.120 567 D CA 0.137 54.115 54.000 -0.037 0.000 1.083 567 D CB 0.057 40.853 40.800 -0.007 0.000 1.116 567 D HN 0.604 nan 8.370 nan 0.000 0.487 568 T N -0.874 113.700 114.554 0.033 0.000 3.231 568 T HA 0.588 4.936 4.350 -0.004 0.000 0.292 568 T C 0.320 175.259 174.700 0.397 0.000 1.001 568 T CA -0.364 61.855 62.100 0.197 0.000 0.920 568 T CB 0.438 69.437 68.868 0.219 0.000 1.140 568 T HN 0.222 nan 8.240 nan 0.000 0.525 569 A N 2.067 125.044 122.820 0.261 0.000 2.413 569 A HA 0.882 5.200 4.320 -0.004 0.000 0.307 569 A C -0.319 177.514 177.584 0.416 0.000 1.087 569 A CA -1.386 50.902 52.037 0.419 0.000 0.750 569 A CB 1.459 20.674 19.000 0.358 0.000 1.296 569 A HN 0.611 nan 8.150 nan 0.000 0.423 570 R N 1.275 122.065 120.500 0.483 0.000 2.711 570 R HA 0.762 5.100 4.340 -0.004 0.000 0.284 570 R C -3.063 173.526 176.300 0.481 0.000 0.968 570 R CA -1.882 54.489 56.100 0.453 0.000 0.924 570 R CB 1.941 32.372 30.300 0.218 0.000 1.162 570 R HN 0.423 nan 8.270 nan 0.000 0.465 571 P HA 0.135 nan 4.420 nan 0.000 0.282 571 P C -0.789 176.524 177.300 0.021 0.000 1.249 571 P CA -0.202 62.862 63.100 -0.059 0.000 0.806 571 P CB 1.740 33.256 31.700 -0.307 0.000 0.984 572 T N -1.608 112.963 114.554 0.028 0.000 2.864 572 T HA 0.503 4.851 4.350 -0.004 0.000 0.289 572 T C -2.263 172.440 174.700 0.006 0.000 1.082 572 T CA -2.106 59.999 62.100 0.009 0.000 1.009 572 T CB 0.907 69.773 68.868 -0.003 0.000 1.234 572 T HN -0.006 nan 8.240 nan 0.000 0.526 573 P HA 0.088 nan 4.420 nan 0.000 0.223 573 P C 1.271 178.477 177.300 -0.156 0.000 1.144 573 P CA 0.729 63.771 63.100 -0.096 0.000 0.783 573 P CB -0.265 31.350 31.700 -0.141 0.000 0.771 574 I N -6.627 113.791 120.570 -0.252 0.000 4.018 574 I HA 0.528 4.696 4.170 -0.004 0.000 0.337 574 I C 0.736 176.684 176.117 -0.282 0.000 1.327 574 I CA -0.117 60.980 61.300 -0.338 0.000 1.100 574 I CB 0.368 37.977 38.000 -0.652 0.000 1.025 574 I HN -0.085 nan 8.210 nan 0.000 0.396 575 G N 0.450 108.951 108.800 -0.499 0.000 2.357 575 G HA2 0.013 3.971 3.960 -0.004 0.000 0.289 575 G HA3 0.013 3.971 3.960 -0.004 0.000 0.289 575 G C -2.019 172.573 174.900 -0.512 0.000 1.302 575 G CA -1.013 43.465 45.100 -1.036 0.000 0.936 575 G HN 0.251 nan 8.290 nan 0.000 0.513 576 W N 0.374 121.547 121.300 -0.210 0.000 2.218 576 W HA 0.515 5.173 4.660 -0.004 0.000 0.326 576 W C 0.883 177.494 176.519 0.154 0.000 1.276 576 W CA 0.152 57.575 57.345 0.131 0.000 1.210 576 W CB 1.466 31.083 29.460 0.263 0.000 1.143 576 W HN 0.629 nan 8.180 nan 0.000 0.563 577 V N 1.142 121.265 119.914 0.350 0.000 2.960 577 V HA 0.668 4.786 4.120 -0.004 0.000 0.315 577 V C -2.465 173.562 176.094 -0.112 0.000 1.087 577 V CA -3.525 58.790 62.300 0.024 0.000 0.982 577 V CB 1.593 33.341 31.823 -0.125 0.000 1.039 577 V HN 0.299 nan 8.190 nan 0.000 0.437 578 P HA 0.184 nan 4.420 nan 0.000 0.268 578 P C -0.646 176.506 177.300 -0.246 0.000 1.204 578 P CA 0.016 62.736 63.100 -0.633 0.000 0.768 578 P CB 0.290 31.198 31.700 -1.319 0.000 0.842 579 K N 1.911 122.304 120.400 -0.011 0.000 2.436 579 K HA 0.008 4.326 4.320 -0.004 0.000 0.275 579 K C 0.669 177.137 176.600 -0.221 0.000 0.999 579 K CA -0.024 56.223 56.287 -0.068 0.000 0.980 579 K CB 0.322 32.832 32.500 0.016 0.000 0.919 579 K HN 0.490 nan 8.250 nan 0.000 0.484 580 E N 0.979 120.832 120.200 -0.579 0.000 2.415 580 E HA -0.030 4.318 4.350 -0.004 0.000 0.260 580 E C 0.636 177.035 176.600 -0.335 0.000 1.016 580 E CA 0.724 56.596 56.400 -0.882 0.000 0.924 580 E CB 0.057 28.948 29.700 -1.348 0.000 0.961 580 E HN 0.775 nan 8.360 nan 0.000 0.459 581 G N 4.537 113.236 108.800 -0.168 0.000 2.218 581 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.216 581 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.216 581 G C 0.545 175.459 174.900 0.024 0.000 0.994 581 G CA 0.192 45.261 45.100 -0.052 0.000 0.637 581 G HN 0.659 nan 8.290 nan 0.000 0.505 582 D N -0.350 120.079 120.400 0.049 0.000 2.398 582 D HA 0.239 4.877 4.640 -0.004 0.000 0.210 582 D C 0.514 176.940 176.300 0.210 0.000 1.094 582 D CA -0.002 54.096 54.000 0.163 0.000 0.839 582 D CB 0.942 41.891 40.800 0.247 0.000 0.963 582 D HN 0.384 nan 8.370 nan 0.000 0.506 583 L N 1.804 123.086 121.223 0.099 0.000 2.272 583 L HA 0.271 4.609 4.340 -0.004 0.000 0.289 583 L C -0.431 176.521 176.870 0.137 0.000 1.032 583 L CA -0.519 54.384 54.840 0.104 0.000 0.810 583 L CB 1.422 43.514 42.059 0.055 0.000 1.205 583 L HN -0.302 nan 8.230 nan 0.000 0.422 584 D N 5.111 125.598 120.400 0.146 0.000 2.344 584 D HA 0.118 4.756 4.640 -0.004 0.000 0.253 584 D C 0.350 176.747 176.300 0.161 0.000 1.255 584 D CA 0.293 54.374 54.000 0.135 0.000 0.894 584 D CB 0.559 41.429 40.800 0.118 0.000 1.067 584 D HN 0.636 nan 8.370 nan 0.000 0.492 585 L N 3.002 124.314 121.223 0.147 0.000 2.818 585 L HA 0.315 4.652 4.340 -0.004 0.000 0.243 585 L C 1.403 178.320 176.870 0.079 0.000 1.185 585 L CA -0.577 54.348 54.840 0.142 0.000 0.988 585 L CB 0.536 42.700 42.059 0.176 0.000 1.292 585 L HN 0.313 nan 8.230 nan 0.000 0.519 586 G N -0.517 108.327 108.800 0.073 0.000 2.380 586 G HA2 0.340 4.298 3.960 -0.004 0.000 0.242 586 G HA3 0.340 4.298 3.960 -0.004 0.000 0.242 586 G C 1.106 176.028 174.900 0.036 0.000 1.298 586 G CA 0.551 45.682 45.100 0.052 0.000 0.878 586 G HN 0.420 nan 8.290 nan 0.000 0.542 587 G N 0.173 108.985 108.800 0.020 0.000 2.162 587 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.260 587 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.260 587 G C 0.280 175.157 174.900 -0.038 0.000 0.976 587 G CA 0.419 45.523 45.100 0.007 0.000 0.655 587 G HN 0.895 nan 8.290 nan 0.000 0.533 588 L N 1.012 122.202 121.223 -0.055 0.000 2.679 588 L HA 0.442 4.780 4.340 -0.004 0.000 0.238 588 L C -0.964 175.878 176.870 -0.047 0.000 1.330 588 L CA -1.870 52.903 54.840 -0.112 0.000 0.935 588 L CB 1.322 43.276 42.059 -0.176 0.000 1.243 588 L HN -0.108 nan 8.230 nan 0.000 0.484 589 P HA -0.014 nan 4.420 nan 0.000 0.221 589 P C 1.491 178.788 177.300 -0.004 0.000 1.150 589 P CA 0.687 63.782 63.100 -0.008 0.000 0.800 589 P CB 0.438 32.134 31.700 -0.007 0.000 0.787 590 G N -0.610 108.177 108.800 -0.022 0.000 2.650 590 G HA2 0.018 3.975 3.960 -0.004 0.000 0.214 590 G HA3 0.018 3.975 3.960 -0.004 0.000 0.214 590 G C 0.275 175.175 174.900 0.001 0.000 1.136 590 G CA 0.101 45.193 45.100 -0.013 0.000 0.789 590 G HN 0.182 nan 8.290 nan 0.000 0.536 591 V N 1.732 121.649 119.914 0.005 0.000 2.383 591 V HA 0.286 4.403 4.120 -0.004 0.000 0.275 591 V C -1.010 175.140 176.094 0.094 0.000 1.036 591 V CA -0.970 61.358 62.300 0.047 0.000 0.889 591 V CB 1.566 33.414 31.823 0.043 0.000 0.985 591 V HN 0.048 nan 8.190 nan 0.000 0.459 592 D N 2.541 123.003 120.400 0.103 0.000 2.193 592 D HA 0.195 4.832 4.640 -0.004 0.000 0.244 592 D C 0.510 176.923 176.300 0.187 0.000 1.064 592 D CA -0.348 53.732 54.000 0.133 0.000 0.845 592 D CB 1.587 42.446 40.800 0.097 0.000 1.148 592 D HN 0.588 nan 8.370 nan 0.000 0.464 593 Y N 2.263 122.632 120.300 0.115 0.000 2.151 593 Y HA -0.305 4.243 4.550 -0.004 0.000 0.284 593 Y C 2.150 178.178 175.900 0.212 0.000 1.166 593 Y CA 1.885 60.093 58.100 0.179 0.000 1.163 593 Y CB 0.123 38.655 38.460 0.119 0.000 0.974 593 Y HN 0.310 nan 8.280 nan 0.000 0.511 594 S N -0.115 115.750 115.700 0.274 0.000 2.399 594 S HA -0.224 4.244 4.470 -0.004 0.000 0.231 594 S C 1.837 176.460 174.600 0.038 0.000 1.022 594 S CA 1.435 59.733 58.200 0.164 0.000 0.983 594 S CB -0.265 63.035 63.200 0.167 0.000 0.803 594 S HN 0.606 nan 8.310 nan 0.000 0.480 595 Q N 0.005 119.815 119.800 0.016 0.000 2.230 595 Q HA 0.072 4.410 4.340 -0.004 0.000 0.202 595 Q C 1.877 177.792 176.000 -0.141 0.000 0.963 595 Q CA 0.704 56.483 55.803 -0.039 0.000 0.866 595 Q CB -0.108 28.626 28.738 -0.008 0.000 0.931 595 Q HN 0.506 nan 8.270 nan 0.000 0.452 596 L N -1.041 120.046 121.223 -0.226 0.000 2.313 596 L HA -0.027 4.311 4.340 -0.004 0.000 0.214 596 L C 0.310 176.600 176.870 -0.967 0.000 1.119 596 L CA 0.587 55.083 54.840 -0.574 0.000 0.809 596 L CB 0.205 41.872 42.059 -0.653 0.000 0.933 596 L HN 0.094 nan 8.230 nan 0.000 0.449 597 F N 0.357 120.097 119.950 -0.349 0.000 2.542 597 F HA 0.325 4.849 4.527 -0.004 0.000 0.323 597 F C -2.031 173.678 175.800 -0.152 0.000 1.411 597 F CA -2.236 55.581 58.000 -0.305 0.000 1.124 597 F CB 0.015 38.717 39.000 -0.497 0.000 1.331 597 F HN -0.132 nan 8.300 nan 0.000 0.560 598 P HA 0.201 nan 4.420 nan 0.000 0.272 598 P C -0.411 176.937 177.300 0.082 0.000 1.223 598 P CA -0.266 62.826 63.100 -0.014 0.000 0.784 598 P CB 1.655 33.285 31.700 -0.117 0.000 0.923 599 M N 1.646 121.319 119.600 0.122 0.000 2.769 599 M HA 0.219 4.697 4.480 -0.004 0.000 0.309 599 M C -1.152 175.287 176.300 0.231 0.000 1.427 599 M CA 0.032 55.462 55.300 0.216 0.000 0.657 599 M CB 0.450 33.138 32.600 0.146 0.000 1.947 599 M HN 0.082 nan 8.290 nan 0.000 0.396 600 E N 1.586 121.956 120.200 0.283 0.000 2.156 600 E HA 0.243 4.591 4.350 -0.004 0.000 0.279 600 E C 0.350 177.149 176.600 0.333 0.000 0.965 600 E CA -0.241 56.295 56.400 0.228 0.000 0.789 600 E CB 2.016 31.793 29.700 0.127 0.000 1.098 600 E HN 0.576 nan 8.360 nan 0.000 0.397 601 K N 2.554 123.094 120.400 0.233 0.000 2.032 601 K HA -0.153 4.165 4.320 -0.004 0.000 0.209 601 K C 1.752 178.471 176.600 0.198 0.000 1.048 601 K CA 1.715 58.135 56.287 0.221 0.000 0.927 601 K CB -0.300 32.281 32.500 0.135 0.000 0.712 601 K HN 0.617 nan 8.250 nan 0.000 0.441 602 G N 0.740 109.623 108.800 0.138 0.000 2.476 602 G HA2 -0.314 3.644 3.960 -0.004 0.000 0.218 602 G HA3 -0.314 3.644 3.960 -0.004 0.000 0.218 602 G C 1.362 176.298 174.900 0.061 0.000 1.164 602 G CA 0.942 46.094 45.100 0.087 0.000 0.768 602 G HN 0.440 nan 8.290 nan 0.000 0.560 603 F N 0.071 119.979 119.950 -0.071 0.000 2.095 603 F HA -0.096 4.429 4.527 -0.004 0.000 0.298 603 F C 2.364 177.987 175.800 -0.295 0.000 1.104 603 F CA 1.766 59.621 58.000 -0.242 0.000 1.232 603 F CB -0.182 38.584 39.000 -0.390 0.000 0.987 603 F HN 0.228 nan 8.300 nan 0.000 0.475 604 W N 0.882 122.226 121.300 0.075 0.000 2.476 604 W HA -0.015 4.643 4.660 -0.004 0.000 0.281 604 W C 2.371 178.850 176.519 -0.067 0.000 1.230 604 W CA 0.980 58.320 57.345 -0.009 0.000 1.287 604 W CB -0.372 29.160 29.460 0.121 0.000 1.108 604 W HN 0.034 nan 8.180 nan 0.000 0.567 605 E N 0.372 120.655 120.200 0.138 0.000 2.051 605 E HA -0.276 4.072 4.350 -0.004 0.000 0.192 605 E C 1.847 178.431 176.600 -0.026 0.000 0.991 605 E CA 1.599 58.036 56.400 0.062 0.000 0.799 605 E CB -0.181 29.549 29.700 0.051 0.000 0.748 605 E HN 0.140 nan 8.360 nan 0.000 0.449 606 E N 1.259 121.384 120.200 -0.125 0.000 2.077 606 E HA -0.237 4.111 4.350 -0.004 0.000 0.193 606 E C 1.843 178.294 176.600 -0.249 0.000 0.989 606 E CA 1.487 57.772 56.400 -0.192 0.000 0.800 606 E CB -0.057 29.492 29.700 -0.252 0.000 0.746 606 E HN 0.088 nan 8.360 nan 0.000 0.452 607 E N -0.434 119.529 120.200 -0.396 0.000 2.051 607 E HA -0.158 4.189 4.350 -0.004 0.000 0.192 607 E C 2.050 178.605 176.600 -0.075 0.000 0.991 607 E CA 1.614 57.798 56.400 -0.360 0.000 0.799 607 E CB -0.663 28.717 29.700 -0.534 0.000 0.748 607 E HN 0.389 nan 8.360 nan 0.000 0.449 608 C N 0.341 119.669 119.300 0.047 0.000 2.413 608 C HA -0.093 4.364 4.460 -0.004 0.000 0.276 608 C C 2.592 177.613 174.990 0.051 0.000 1.248 608 C CA 0.980 60.062 59.018 0.107 0.000 1.742 608 C CB -0.980 26.836 27.740 0.128 0.000 2.017 608 C HN 0.448 nan 8.230 nan 0.000 0.481 609 R N 0.278 120.783 120.500 0.008 0.000 2.083 609 R HA -0.173 4.165 4.340 -0.004 0.000 0.237 609 R C 2.428 178.724 176.300 -0.006 0.000 1.137 609 R CA 1.522 57.622 56.100 0.000 0.000 0.951 609 R CB -0.430 29.859 30.300 -0.020 0.000 0.851 609 R HN 0.689 nan 8.270 nan 0.000 0.434 610 Q N 0.456 120.235 119.800 -0.035 0.000 2.050 610 Q HA -0.157 4.181 4.340 -0.004 0.000 0.202 610 Q C 2.362 178.361 176.000 -0.002 0.000 0.980 610 Q CA 1.281 57.073 55.803 -0.019 0.000 0.840 610 Q CB -0.172 28.531 28.738 -0.058 0.000 0.898 610 Q HN 0.383 nan 8.270 nan 0.000 0.424 611 L N 0.166 121.368 121.223 -0.035 0.000 2.017 611 L HA -0.210 4.128 4.340 -0.004 0.000 0.208 611 L C 2.740 179.500 176.870 -0.183 0.000 1.073 611 L CA 1.220 55.954 54.840 -0.176 0.000 0.745 611 L CB -0.403 41.591 42.059 -0.110 0.000 0.894 611 L HN 0.186 nan 8.230 nan 0.000 0.432 612 R N 0.233 120.743 120.500 0.017 0.000 2.083 612 R HA -0.257 4.081 4.340 -0.004 0.000 0.237 612 R C 2.257 178.598 176.300 0.067 0.000 1.137 612 R CA 2.064 58.224 56.100 0.099 0.000 0.951 612 R CB -0.147 30.207 30.300 0.090 0.000 0.851 612 R HN 0.311 nan 8.270 nan 0.000 0.434 613 E N -0.836 119.384 120.200 0.033 0.000 2.058 613 E HA -0.274 4.074 4.350 -0.004 0.000 0.194 613 E C 1.781 178.394 176.600 0.022 0.000 0.997 613 E CA 1.729 58.146 56.400 0.028 0.000 0.801 613 E CB -0.320 29.394 29.700 0.024 0.000 0.746 613 E HN 0.443 nan 8.360 nan 0.000 0.450 614 Y N -0.077 120.119 120.300 -0.174 0.000 2.114 614 Y HA -0.280 4.268 4.550 -0.004 0.000 0.284 614 Y C 1.823 177.682 175.900 -0.068 0.000 1.143 614 Y CA 2.107 60.038 58.100 -0.283 0.000 1.135 614 Y CB -0.707 37.301 38.460 -0.753 0.000 0.980 614 Y HN 0.180 nan 8.280 nan 0.000 0.499 615 Y N -0.385 119.865 120.300 -0.083 0.000 2.165 615 Y HA -0.242 4.306 4.550 -0.003 0.000 0.286 615 Y C 2.729 178.600 175.900 -0.049 0.000 1.155 615 Y CA 0.537 58.580 58.100 -0.095 0.000 1.164 615 Y CB -0.785 37.650 38.460 -0.041 0.000 0.978 615 Y HN 0.272 nan 8.280 nan 0.000 0.513 616 G N -0.262 108.609 108.800 0.119 0.000 2.404 616 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.215 616 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.215 616 G C 1.476 176.379 174.900 0.006 0.000 1.174 616 G CA 0.878 46.015 45.100 0.062 0.000 0.780 616 G HN 0.224 nan 8.290 nan 0.000 0.537 617 E N 0.951 121.130 120.200 -0.035 0.000 2.047 617 E HA -0.073 4.275 4.350 -0.004 0.000 0.191 617 E C 2.270 178.799 176.600 -0.119 0.000 0.987 617 E CA 1.175 57.536 56.400 -0.065 0.000 0.799 617 E CB -0.236 29.429 29.700 -0.059 0.000 0.752 617 E HN 0.539 nan 8.360 nan 0.000 0.449 618 N N -1.357 117.216 118.700 -0.213 0.000 2.414 618 N HA 0.069 4.807 4.740 -0.004 0.000 0.177 618 N C 1.301 176.558 175.510 -0.421 0.000 1.062 618 N CA 0.222 53.063 53.050 -0.349 0.000 0.890 618 N CB 0.112 38.264 38.487 -0.558 0.000 1.070 618 N HN 0.006 nan 8.380 nan 0.000 0.454 619 F N 0.391 120.194 119.950 -0.245 0.000 2.500 619 F HA 0.354 4.879 4.527 -0.004 0.000 0.285 619 F C 2.006 177.734 175.800 -0.120 0.000 1.088 619 F CA 0.538 58.435 58.000 -0.172 0.000 1.432 619 F CB -0.432 38.482 39.000 -0.144 0.000 1.131 619 F HN 0.023 nan 8.300 nan 0.000 0.582 620 G N 1.172 110.023 108.800 0.085 0.000 2.651 620 G HA2 -0.408 3.550 3.960 -0.004 0.000 0.315 620 G HA3 -0.408 3.550 3.960 -0.004 0.000 0.315 620 G C 1.357 176.278 174.900 0.035 0.000 1.258 620 G CA 0.723 45.842 45.100 0.031 0.000 1.002 620 G HN 0.642 nan 8.290 nan 0.000 0.551 621 A N -0.946 121.879 122.820 0.009 0.000 2.119 621 A HA 0.194 4.512 4.320 -0.004 0.000 0.217 621 A C 1.831 179.422 177.584 0.013 0.000 1.153 621 A CA 2.191 54.231 52.037 0.004 0.000 0.692 621 A CB -0.246 18.748 19.000 -0.009 0.000 0.799 621 A HN 0.541 nan 8.150 nan 0.000 0.458 622 D N -0.890 119.528 120.400 0.031 0.000 2.355 622 D HA 0.074 4.712 4.640 -0.004 0.000 0.218 622 D C 0.276 176.636 176.300 0.099 0.000 1.004 622 D CA 0.064 54.097 54.000 0.054 0.000 0.880 622 D CB -0.100 40.719 40.800 0.032 0.000 0.911 622 D HN 0.361 nan 8.370 nan 0.000 0.528 623 L N 2.200 123.468 121.223 0.074 0.000 2.418 623 L HA 0.205 4.543 4.340 -0.004 0.000 0.274 623 L C -2.253 174.565 176.870 -0.086 0.000 1.135 623 L CA -1.208 53.587 54.840 -0.075 0.000 0.870 623 L CB 0.404 42.350 42.059 -0.188 0.000 1.154 623 L HN -0.256 nan 8.230 nan 0.000 0.462 624 P HA 0.058 nan 4.420 nan 0.000 0.265 624 P C -0.013 177.245 177.300 -0.071 0.000 1.193 624 P CA -0.183 62.888 63.100 -0.049 0.000 0.765 624 P CB 0.610 32.298 31.700 -0.020 0.000 0.823 625 R N 3.452 123.931 120.500 -0.036 0.000 2.103 625 R HA -0.193 4.145 4.340 -0.004 0.000 0.242 625 R C 1.129 177.406 176.300 -0.037 0.000 1.142 625 R CA 2.048 58.126 56.100 -0.036 0.000 0.960 625 R CB -1.266 29.024 30.300 -0.016 0.000 0.858 625 R HN 0.383 nan 8.270 nan 0.000 0.439 626 D N -0.503 119.890 120.400 -0.011 0.000 2.182 626 D HA -0.121 4.517 4.640 -0.004 0.000 0.201 626 D C 1.825 178.119 176.300 -0.010 0.000 0.986 626 D CA 1.399 55.404 54.000 0.009 0.000 0.847 626 D CB -0.045 40.792 40.800 0.061 0.000 0.942 626 D HN 0.157 nan 8.370 nan 0.000 0.467 627 V N 0.674 120.561 119.914 -0.047 0.000 2.323 627 V HA -0.228 3.890 4.120 -0.004 0.000 0.244 627 V C 2.313 178.343 176.094 -0.106 0.000 1.041 627 V CA 1.312 63.574 62.300 -0.063 0.000 1.025 627 V CB -0.380 31.295 31.823 -0.247 0.000 0.656 627 V HN 0.142 nan 8.190 nan 0.000 0.451 628 M N 1.190 120.700 119.600 -0.150 0.000 2.108 628 M HA -0.101 4.377 4.480 -0.004 0.000 0.261 628 M C 2.094 178.343 176.300 -0.086 0.000 1.066 628 M CA 2.163 57.407 55.300 -0.093 0.000 1.107 628 M CB -0.945 31.611 32.600 -0.073 0.000 1.356 628 M HN 0.264 nan 8.290 nan 0.000 0.406 629 A N -0.244 122.526 122.820 -0.083 0.000 1.917 629 A HA -0.194 4.123 4.320 -0.004 0.000 0.219 629 A C 2.051 179.542 177.584 -0.155 0.000 1.182 629 A CA 2.026 54.010 52.037 -0.088 0.000 0.633 629 A CB -0.826 18.141 19.000 -0.054 0.000 0.819 629 A HN 0.606 nan 8.150 nan 0.000 0.448 630 E N -0.705 119.358 120.200 -0.227 0.000 2.107 630 E HA -0.128 4.220 4.350 -0.004 0.000 0.191 630 E C 1.987 178.125 176.600 -0.770 0.000 0.982 630 E CA 0.984 57.112 56.400 -0.452 0.000 0.809 630 E CB -0.493 28.935 29.700 -0.453 0.000 0.756 630 E HN 0.527 nan 8.360 nan 0.000 0.459 631 L N 1.943 122.779 121.223 -0.645 0.000 2.012 631 L HA -0.192 4.146 4.340 -0.004 0.000 0.210 631 L C 1.924 178.697 176.870 -0.161 0.000 1.073 631 L CA 1.889 56.541 54.840 -0.314 0.000 0.748 631 L CB -0.429 41.711 42.059 0.135 0.000 0.891 631 L HN 0.031 nan 8.230 nan 0.000 0.431 632 E N -0.719 119.406 120.200 -0.125 0.000 2.118 632 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 632 E C 2.080 178.617 176.600 -0.106 0.000 0.992 632 E CA 0.976 57.328 56.400 -0.081 0.000 0.804 632 E CB -0.548 29.113 29.700 -0.064 0.000 0.741 632 E HN 0.702 nan 8.360 nan 0.000 0.458 633 G N 1.481 110.186 108.800 -0.160 0.000 2.446 633 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.217 633 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.217 633 G C 1.544 176.353 174.900 -0.151 0.000 1.168 633 G CA 0.690 45.692 45.100 -0.163 0.000 0.771 633 G HN 0.153 nan 8.290 nan 0.000 0.551 634 L N 0.776 121.893 121.223 -0.176 0.000 2.017 634 L HA -0.008 4.330 4.340 -0.004 0.000 0.208 634 L C 2.661 179.508 176.870 -0.039 0.000 1.073 634 L CA 2.235 57.017 54.840 -0.097 0.000 0.745 634 L CB -0.790 41.247 42.059 -0.036 0.000 0.894 634 L HN 0.391 nan 8.230 nan 0.000 0.432 635 E N -0.702 119.485 120.200 -0.020 0.000 2.118 635 E HA -0.290 4.058 4.350 -0.004 0.000 0.195 635 E C 2.083 178.676 176.600 -0.012 0.000 0.992 635 E CA 1.427 57.832 56.400 0.008 0.000 0.804 635 E CB -0.153 29.556 29.700 0.015 0.000 0.741 635 E HN 0.642 nan 8.360 nan 0.000 0.458 636 E N 0.911 121.087 120.200 -0.040 0.000 2.072 636 E HA -0.182 4.166 4.350 -0.004 0.000 0.191 636 E C 2.094 178.663 176.600 -0.053 0.000 0.985 636 E CA 0.727 57.099 56.400 -0.048 0.000 0.801 636 E CB 0.141 29.801 29.700 -0.066 0.000 0.750 636 E HN 0.126 nan 8.360 nan 0.000 0.452 637 R N -0.027 120.432 120.500 -0.068 0.000 2.092 637 R HA -0.084 4.253 4.340 -0.004 0.000 0.231 637 R C 2.436 178.710 176.300 -0.042 0.000 1.119 637 R CA 1.115 57.172 56.100 -0.072 0.000 0.970 637 R CB -0.140 30.108 30.300 -0.088 0.000 0.864 637 R HN 0.124 nan 8.270 nan 0.000 0.440 638 V N 0.819 120.720 119.914 -0.021 0.000 2.407 638 V HA -0.236 3.882 4.120 -0.004 0.000 0.248 638 V C 2.280 178.388 176.094 0.023 0.000 1.055 638 V CA 1.588 63.900 62.300 0.020 0.000 1.049 638 V CB -0.486 31.376 31.823 0.066 0.000 0.662 638 V HN 0.277 nan 8.190 nan 0.000 0.455 639 R N -0.205 120.300 120.500 0.008 0.000 2.139 639 R HA -0.182 4.156 4.340 -0.004 0.000 0.243 639 R C 2.358 178.658 176.300 0.001 0.000 1.145 639 R CA 1.427 57.531 56.100 0.005 0.000 0.976 639 R CB -0.200 30.097 30.300 -0.005 0.000 0.866 639 R HN 0.456 nan 8.270 nan 0.000 0.449 640 K N -0.304 120.090 120.400 -0.009 0.000 2.288 640 K HA -0.005 4.312 4.320 -0.004 0.000 0.201 640 K C 0.847 177.448 176.600 0.001 0.000 1.048 640 K CA 0.437 56.717 56.287 -0.012 0.000 0.956 640 K CB 0.110 32.592 32.500 -0.030 0.000 0.746 640 K HN 0.126 nan 8.250 nan 0.000 0.461 641 M N 0.000 119.608 119.600 0.013 0.000 2.572 641 M HA 0.000 4.478 4.480 -0.004 0.000 0.227 641 M CA 0.000 55.318 55.300 0.029 0.000 0.988 641 M CB 0.000 32.632 32.600 0.053 0.000 1.302 641 M HN 0.000 nan 8.290 nan 0.000 0.411