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 3m1l_1_A DATA FIRST_RESID 33 DATA SEQUENCE TLRRYRAGEP PLTGSLLIGG AGRVVEPLRA ALEKDYDLVG XXXXXXXXDS DATA SEQUENCE FGGLVFDATG ITEPAGLKGL HEFFTPVLRN LGRCGRVVVV GGTPEAAAST DATA SEQUENCE NERIAQRALE GFTRSLGKEL RRGATTALVY LSPDAKPAAT GLESTMRFLL DATA SEQUENCE SAKSAYVDGQ VFSVGADDST PPADWEKPLD GKVAIVTGAA RGIGATIAEV DATA SEQUENCE FARDGAHVVA IDVESAAENL AETASKVGGT ALWLDVTADD AVDKISEHLR DATA SEQUENCE DHHGGKADIL VNNAGITXXX XXXXXXXXRW DAVLAVNLLA PLRLTEGLVG DATA SEQUENCE NGSIGEGGRV IGLSSXXXXX XXXXQTNYAT TKAGMIGITQ ALAPGLAAKG DATA SEQUENCE ITINAVAPGF IEXXXXXXXX XXXXXXXXXX XXXXXGGQPV DVAEAIAYFA DATA SEQUENCE SPASNAVTGN VIRVC 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 33 T HA 0.000 nan 4.350 nan 0.000 0.228 33 T C 0.000 174.726 174.700 0.044 0.000 1.109 33 T CA 0.000 62.126 62.100 0.043 0.000 1.349 33 T CB 0.000 68.888 68.868 0.033 0.000 0.612 34 L N 3.601 124.869 121.223 0.074 0.000 2.461 34 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 34 L C 1.209 178.112 176.870 0.055 0.000 1.197 34 L CA 0.027 54.896 54.840 0.047 0.000 0.836 34 L CB 0.378 42.451 42.059 0.023 0.000 1.105 34 L HN 0.585 nan 8.230 nan 0.000 0.477 35 R N 1.997 122.509 120.500 0.020 0.000 2.316 35 R HA 0.245 4.585 4.340 -0.000 0.000 0.314 35 R C -0.464 175.873 176.300 0.061 0.000 1.069 35 R CA -0.426 55.690 56.100 0.028 0.000 0.959 35 R CB 0.242 30.544 30.300 0.004 0.000 0.987 35 R HN 0.446 nan 8.270 nan 0.000 0.446 36 R N 2.300 122.848 120.500 0.080 0.000 2.691 36 R HA 0.180 4.520 4.340 -0.000 0.000 0.259 36 R C -1.064 175.312 176.300 0.127 0.000 1.048 36 R CA -0.720 55.453 56.100 0.123 0.000 1.086 36 R CB 0.465 30.841 30.300 0.126 0.000 1.166 36 R HN 0.497 nan 8.270 nan 0.000 0.526 37 Y N 0.720 121.045 120.300 0.040 0.000 2.411 37 Y HA 0.331 4.881 4.550 -0.000 0.000 0.333 37 Y C -0.272 175.645 175.900 0.030 0.000 1.186 37 Y CA 0.302 58.421 58.100 0.033 0.000 1.381 37 Y CB 0.616 39.106 38.460 0.051 0.000 1.273 37 Y HN 0.301 nan 8.280 nan 0.000 0.546 38 R N 4.529 124.563 120.500 -0.776 0.000 2.651 38 R HA 0.571 4.911 4.340 -0.000 0.000 0.278 38 R C -0.092 175.723 176.300 -0.808 0.000 1.010 38 R CA -0.050 55.647 56.100 -0.672 0.000 0.896 38 R CB 1.777 31.920 30.300 -0.262 0.000 1.211 38 R HN 1.123 nan 8.270 nan 0.000 0.456 39 A N 1.505 124.013 122.820 -0.520 0.000 5.684 39 A HA -0.270 4.050 4.320 -0.000 0.000 0.306 39 A C 0.673 178.146 177.584 -0.185 0.000 1.885 39 A CA 1.146 53.044 52.037 -0.232 0.000 0.721 39 A CB -1.704 17.211 19.000 -0.142 0.000 1.295 39 A HN 0.935 nan 8.150 nan 0.000 0.386 40 G N -0.217 108.516 108.800 -0.111 0.000 4.178 40 G HA2 0.485 4.445 3.960 -0.000 0.000 0.287 40 G HA3 0.485 4.445 3.960 -0.000 0.000 0.287 40 G C -0.026 174.819 174.900 -0.091 0.000 1.293 40 G CA 0.574 45.629 45.100 -0.075 0.000 1.393 40 G HN 0.664 nan 8.290 nan 0.000 0.623 41 E N 0.980 121.099 120.200 -0.135 0.000 2.319 41 E HA 0.273 4.623 4.350 -0.000 0.000 0.268 41 E C -2.091 174.448 176.600 -0.101 0.000 1.050 41 E CA -1.549 54.782 56.400 -0.115 0.000 0.878 41 E CB 1.146 30.765 29.700 -0.136 0.000 1.066 41 E HN 0.143 nan 8.360 nan 0.000 0.406 42 P HA 0.026 nan 4.420 nan 0.000 0.272 42 P C -1.939 175.305 177.300 -0.094 0.000 1.223 42 P CA -0.987 62.053 63.100 -0.100 0.000 0.784 42 P CB 0.049 31.701 31.700 -0.079 0.000 0.923 43 P HA -0.070 nan 4.420 nan 0.000 0.218 43 P C 0.065 177.364 177.300 -0.001 0.000 1.149 43 P CA 1.401 64.447 63.100 -0.090 0.000 0.817 43 P CB 0.365 31.896 31.700 -0.281 0.000 0.785 44 L N -0.945 120.285 121.223 0.011 0.000 2.319 44 L HA 0.334 4.674 4.340 -0.000 0.000 0.267 44 L C 1.049 177.935 176.870 0.028 0.000 1.011 44 L CA -0.699 54.177 54.840 0.058 0.000 0.818 44 L CB 1.747 43.889 42.059 0.139 0.000 1.316 44 L HN -0.280 nan 8.230 nan 0.000 0.432 45 T N -1.682 112.888 114.554 0.027 0.000 3.500 45 T HA 0.515 4.865 4.350 -0.000 0.000 0.244 45 T C 0.421 175.132 174.700 0.019 0.000 0.962 45 T CA 0.133 62.240 62.100 0.012 0.000 0.932 45 T CB -0.618 68.253 68.868 0.005 0.000 1.096 45 T HN 0.978 nan 8.240 nan 0.000 0.617 46 G N 0.924 109.743 108.800 0.033 0.000 2.340 46 G HA2 0.314 4.274 3.960 -0.000 0.000 0.282 46 G HA3 0.314 4.274 3.960 -0.000 0.000 0.282 46 G C -0.416 174.535 174.900 0.084 0.000 1.312 46 G CA -0.477 44.644 45.100 0.035 0.000 0.942 46 G HN 0.843 nan 8.290 nan 0.000 0.495 47 S N -1.243 114.515 115.700 0.096 0.000 2.617 47 S HA 0.635 5.105 4.470 -0.000 0.000 0.255 47 S C -0.137 174.613 174.600 0.249 0.000 1.318 47 S CA 0.211 58.510 58.200 0.166 0.000 0.978 47 S CB 1.559 64.853 63.200 0.157 0.000 0.961 47 S HN 1.905 nan 8.310 nan 0.000 0.582 48 L N 0.847 122.198 121.223 0.215 0.000 2.415 48 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 48 L C -1.258 175.647 176.870 0.058 0.000 0.984 48 L CA -0.803 54.109 54.840 0.119 0.000 0.853 48 L CB 1.278 43.370 42.059 0.054 0.000 1.215 48 L HN 0.774 nan 8.230 nan 0.000 0.419 49 L N 6.258 127.457 121.223 -0.039 0.000 2.275 49 L HA 0.642 4.981 4.340 -0.000 0.000 0.288 49 L C -0.964 175.888 176.870 -0.032 0.000 1.046 49 L CA 0.094 54.880 54.840 -0.091 0.000 0.805 49 L CB 1.003 42.825 42.059 -0.395 0.000 1.193 49 L HN 0.579 nan 8.230 nan 0.000 0.426 50 I N 5.681 126.231 120.570 -0.034 0.000 2.382 50 I HA 0.611 4.781 4.170 -0.000 0.000 0.286 50 I C 0.484 176.511 176.117 -0.150 0.000 1.002 50 I CA -0.305 60.936 61.300 -0.099 0.000 1.135 50 I CB 1.356 39.278 38.000 -0.130 0.000 1.288 50 I HN 0.765 nan 8.210 nan 0.000 0.448 51 G N 3.238 111.818 108.800 -0.367 0.000 3.251 51 G HA2 0.842 4.802 3.960 -0.000 0.000 0.248 51 G HA3 0.842 4.802 3.960 -0.000 0.000 0.248 51 G C -0.303 174.098 174.900 -0.831 0.000 1.320 51 G CA -0.565 44.228 45.100 -0.511 0.000 0.982 51 G HN 0.963 nan 8.290 nan 0.000 0.575 52 G N -2.129 106.207 108.800 -0.775 0.000 2.756 52 G HA2 0.469 4.429 3.960 -0.000 0.000 0.678 52 G HA3 0.469 4.429 3.960 -0.000 0.000 0.678 52 G C -0.130 174.451 174.900 -0.532 0.000 1.349 52 G CA 0.109 44.614 45.100 -0.991 0.000 0.847 52 G HN 2.062 nan 8.290 nan 0.000 0.548 53 A N -0.608 121.950 122.820 -0.436 0.000 2.322 53 A HA 1.302 5.622 4.320 -0.000 0.000 0.327 53 A C 1.004 178.435 177.584 -0.255 0.000 1.134 53 A CA 0.986 52.870 52.037 -0.256 0.000 0.831 53 A CB 1.447 20.356 19.000 -0.152 0.000 1.288 53 A HN 3.075 nan 8.150 nan 0.000 0.472 54 G N -0.171 108.526 108.800 -0.171 0.000 2.316 54 G HA2 0.127 4.087 3.960 -0.000 0.000 0.349 54 G HA3 0.127 4.087 3.960 -0.000 0.000 0.349 54 G C 0.150 174.980 174.900 -0.116 0.000 1.274 54 G CA -0.049 44.967 45.100 -0.139 0.000 1.018 54 G HN 1.401 nan 8.290 nan 0.000 0.486 55 R N -0.611 119.835 120.500 -0.090 0.000 2.317 55 R HA 0.418 4.758 4.340 -0.000 0.000 0.208 55 R C 1.254 177.512 176.300 -0.070 0.000 0.914 55 R CA 1.050 57.110 56.100 -0.066 0.000 1.060 55 R CB 0.222 30.498 30.300 -0.041 0.000 1.015 55 R HN 0.343 nan 8.270 nan 0.000 0.498 56 V N 0.377 120.232 119.914 -0.099 0.000 2.922 56 V HA -0.079 4.041 4.120 -0.000 0.000 0.242 56 V C 2.159 178.180 176.094 -0.121 0.000 1.094 56 V CA 0.730 62.971 62.300 -0.098 0.000 1.106 56 V CB 0.856 32.622 31.823 -0.095 0.000 0.799 56 V HN 0.215 nan 8.190 nan 0.000 0.474 57 V N 0.406 120.221 119.914 -0.164 0.000 2.278 57 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 57 V C 2.560 178.582 176.094 -0.120 0.000 1.062 57 V CA 2.617 64.813 62.300 -0.174 0.000 1.038 57 V CB -0.222 31.465 31.823 -0.227 0.000 0.646 57 V HN 0.598 nan 8.190 nan 0.000 0.447 58 E N -0.088 120.055 120.200 -0.095 0.000 2.028 58 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 58 E C 0.376 176.945 176.600 -0.052 0.000 0.984 58 E CA 1.741 58.101 56.400 -0.066 0.000 0.800 58 E CB -1.839 27.829 29.700 -0.053 0.000 0.758 58 E HN 0.581 nan 8.360 nan 0.000 0.448 59 P HA -0.143 nan 4.420 nan 0.000 0.216 59 P C 1.837 179.114 177.300 -0.039 0.000 1.153 59 P CA 1.153 64.234 63.100 -0.033 0.000 0.858 59 P CB -0.120 31.564 31.700 -0.027 0.000 0.789 60 L N -1.139 120.046 121.223 -0.065 0.000 2.056 60 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 60 L C 2.944 179.765 176.870 -0.081 0.000 1.078 60 L CA 1.411 56.201 54.840 -0.083 0.000 0.749 60 L CB -0.545 41.443 42.059 -0.117 0.000 0.901 60 L HN -0.129 nan 8.230 nan 0.000 0.433 61 R N -0.124 120.331 120.500 -0.075 0.000 2.080 61 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 61 R C 2.417 178.699 176.300 -0.030 0.000 1.137 61 R CA 1.599 57.664 56.100 -0.058 0.000 0.943 61 R CB -0.597 29.671 30.300 -0.054 0.000 0.846 61 R HN 0.354 nan 8.270 nan 0.000 0.431 62 A N 0.845 123.652 122.820 -0.022 0.000 1.940 62 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 62 A C 2.291 179.882 177.584 0.011 0.000 1.176 62 A CA 1.861 53.897 52.037 -0.002 0.000 0.631 62 A CB -0.639 18.361 19.000 0.000 0.000 0.814 62 A HN 0.450 nan 8.150 nan 0.000 0.446 63 A N -0.879 121.941 122.820 0.001 0.000 1.970 63 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 63 A C 1.843 179.440 177.584 0.023 0.000 1.170 63 A CA 1.111 53.161 52.037 0.021 0.000 0.645 63 A CB -0.289 18.720 19.000 0.016 0.000 0.816 63 A HN 0.439 nan 8.150 nan 0.000 0.447 64 L N -0.778 120.441 121.223 -0.008 0.000 2.607 64 L HA 0.129 4.469 4.340 -0.000 0.000 0.228 64 L C 2.005 178.941 176.870 0.110 0.000 1.123 64 L CA 0.376 55.229 54.840 0.022 0.000 0.890 64 L CB -0.022 41.926 42.059 -0.184 0.000 1.103 64 L HN 0.559 nan 8.230 nan 0.000 0.468 65 E N 1.321 121.561 120.200 0.066 0.000 2.150 65 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 65 E C 2.165 178.813 176.600 0.080 0.000 0.985 65 E CA 0.988 57.429 56.400 0.068 0.000 0.814 65 E CB 0.279 30.002 29.700 0.039 0.000 0.752 65 E HN 0.327 nan 8.360 nan 0.000 0.466 66 K N 0.100 120.546 120.400 0.077 0.000 2.076 66 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 66 K C 0.978 177.602 176.600 0.040 0.000 1.051 66 K CA 1.546 57.867 56.287 0.057 0.000 0.949 66 K CB 0.178 32.714 32.500 0.059 0.000 0.726 66 K HN 0.076 nan 8.250 nan 0.000 0.443 67 D N -0.838 119.589 120.400 0.045 0.000 2.346 67 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 67 D C -0.226 175.931 176.300 -0.239 0.000 1.001 67 D CA 0.528 54.471 54.000 -0.096 0.000 0.871 67 D CB 0.232 40.931 40.800 -0.168 0.000 0.943 67 D HN 0.124 nan 8.370 nan 0.000 0.518 68 Y N 0.350 120.634 120.300 -0.027 0.000 2.446 68 Y HA 0.235 4.785 4.550 -0.000 0.000 0.338 68 Y C 0.164 176.062 175.900 -0.003 0.000 1.055 68 Y CA -1.363 56.725 58.100 -0.020 0.000 1.101 68 Y CB 1.293 39.734 38.460 -0.031 0.000 1.221 68 Y HN -0.337 nan 8.280 nan 0.000 0.460 69 D N 2.481 122.973 120.400 0.154 0.000 2.416 69 D HA 0.169 4.809 4.640 -0.000 0.000 0.240 69 D C -1.045 175.329 176.300 0.123 0.000 1.250 69 D CA -0.075 53.988 54.000 0.104 0.000 0.967 69 D CB -0.012 40.830 40.800 0.070 0.000 1.059 69 D HN 0.306 nan 8.370 nan 0.000 0.512 70 L N 3.941 125.226 121.223 0.103 0.000 2.395 70 L HA 0.445 4.784 4.340 -0.000 0.000 0.269 70 L C -0.467 176.448 176.870 0.075 0.000 1.133 70 L CA -0.130 54.758 54.840 0.080 0.000 0.812 70 L CB 1.486 43.578 42.059 0.054 0.000 1.125 70 L HN 0.217 nan 8.230 nan 0.000 0.452 71 V N 2.353 122.314 119.914 0.078 0.000 3.158 71 V HA 0.806 4.926 4.120 -0.000 0.000 0.315 71 V C 0.410 176.540 176.094 0.060 0.000 1.148 71 V CA -0.228 62.126 62.300 0.090 0.000 1.042 71 V CB 1.902 33.825 31.823 0.168 0.000 1.101 71 V HN 0.882 nan 8.190 nan 0.000 0.448 82 S N 0.773 116.025 115.700 -0.747 0.000 2.536 82 S HA 0.462 4.932 4.470 -0.000 0.000 0.246 82 S C -1.490 172.873 174.600 -0.394 0.000 1.077 82 S CA -0.534 57.375 58.200 -0.486 0.000 1.091 82 S CB -0.560 62.503 63.200 -0.229 0.000 1.148 82 S HN -0.054 nan 8.310 nan 0.000 0.447 83 F N 2.481 122.428 119.950 -0.004 0.000 2.394 83 F HA 0.607 5.134 4.527 -0.000 0.000 0.340 83 F C 1.582 177.388 175.800 0.010 0.000 1.105 83 F CA -0.348 57.655 58.000 0.006 0.000 1.124 83 F CB 1.476 40.480 39.000 0.007 0.000 1.145 83 F HN 0.650 nan 8.300 nan 0.000 0.505 84 G N 0.920 109.857 108.800 0.229 0.000 2.719 84 G HA2 0.428 4.388 3.960 -0.000 0.000 0.211 84 G HA3 0.428 4.388 3.960 -0.000 0.000 0.211 84 G C 0.325 175.293 174.900 0.114 0.000 1.140 84 G CA 0.337 45.517 45.100 0.132 0.000 0.790 84 G HN 0.960 nan 8.290 nan 0.000 0.529 85 G N -0.382 108.496 108.800 0.130 0.000 2.719 85 G HA2 0.556 4.516 3.960 -0.000 0.000 0.298 85 G HA3 0.556 4.516 3.960 -0.000 0.000 0.298 85 G C -1.641 173.277 174.900 0.030 0.000 1.411 85 G CA -0.653 44.482 45.100 0.058 0.000 0.991 85 G HN 0.150 nan 8.290 nan 0.000 0.509 86 L N 1.637 122.893 121.223 0.055 0.000 2.376 86 L HA 0.588 4.928 4.340 -0.000 0.000 0.275 86 L C -0.708 176.284 176.870 0.204 0.000 0.987 86 L CA -1.087 53.817 54.840 0.106 0.000 0.828 86 L CB 2.268 44.439 42.059 0.186 0.000 1.249 86 L HN 0.241 nan 8.230 nan 0.000 0.409 87 V N 3.369 123.363 119.914 0.133 0.000 2.444 87 V HA 0.423 4.543 4.120 -0.000 0.000 0.294 87 V C -0.913 175.133 176.094 -0.080 0.000 1.022 87 V CA -0.498 61.831 62.300 0.049 0.000 0.850 87 V CB 2.056 33.833 31.823 -0.076 0.000 0.992 87 V HN 0.465 nan 8.190 nan 0.000 0.426 88 F N 3.958 123.770 119.950 -0.229 0.000 2.467 88 F HA 0.569 5.096 4.527 -0.000 0.000 0.336 88 F C -0.098 175.516 175.800 -0.309 0.000 1.123 88 F CA -0.778 56.881 58.000 -0.568 0.000 0.964 88 F CB 1.492 40.124 39.000 -0.612 0.000 1.136 88 F HN 0.561 nan 8.300 nan 0.000 0.447 89 D N 5.005 124.826 120.400 -0.965 0.000 2.365 89 D HA 0.295 4.935 4.640 -0.000 0.000 0.237 89 D C 0.204 176.007 176.300 -0.829 0.000 1.190 89 D CA 0.035 53.640 54.000 -0.658 0.000 0.867 89 D CB 1.447 41.939 40.800 -0.513 0.000 1.050 89 D HN 0.655 nan 8.370 nan 0.000 0.491 90 A N 3.052 125.683 122.820 -0.314 0.000 2.415 90 A HA 0.079 4.399 4.320 -0.000 0.000 0.248 90 A C 1.679 179.237 177.584 -0.043 0.000 1.299 90 A CA 0.309 52.303 52.037 -0.071 0.000 0.899 90 A CB -0.414 18.713 19.000 0.212 0.000 0.997 90 A HN 0.604 nan 8.150 nan 0.000 0.506 91 T N -3.694 110.799 114.554 -0.101 0.000 2.985 91 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 91 T C 1.714 176.388 174.700 -0.043 0.000 1.076 91 T CA 1.206 63.282 62.100 -0.039 0.000 1.135 91 T CB -0.305 68.535 68.868 -0.045 0.000 0.890 91 T HN 0.345 nan 8.240 nan 0.000 0.480 92 G N 1.150 109.900 108.800 -0.083 0.000 2.848 92 G HA2 0.227 4.187 3.960 -0.000 0.000 0.208 92 G HA3 0.227 4.187 3.960 -0.000 0.000 0.208 92 G C 0.491 175.378 174.900 -0.021 0.000 1.152 92 G CA -0.314 44.750 45.100 -0.059 0.000 0.789 92 G HN 0.578 nan 8.290 nan 0.000 0.531 93 I N 2.262 122.835 120.570 0.005 0.000 2.363 93 I HA 0.119 4.289 4.170 -0.000 0.000 0.292 93 I C 1.486 177.619 176.117 0.028 0.000 1.075 93 I CA -0.060 61.260 61.300 0.033 0.000 1.333 93 I CB 1.364 39.405 38.000 0.070 0.000 1.415 93 I HN 0.050 nan 8.210 nan 0.000 0.502 94 T N 1.346 115.911 114.554 0.019 0.000 3.054 94 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 94 T C 0.308 175.019 174.700 0.017 0.000 1.035 94 T CA -0.263 61.846 62.100 0.015 0.000 0.941 94 T CB -0.015 68.857 68.868 0.007 0.000 1.026 94 T HN 0.648 nan 8.240 nan 0.000 0.533 95 E N 0.276 120.489 120.200 0.022 0.000 2.390 95 E HA 0.331 4.681 4.350 -0.000 0.000 0.277 95 E C -2.858 173.758 176.600 0.026 0.000 0.939 95 E CA -2.306 54.106 56.400 0.021 0.000 0.769 95 E CB 1.502 31.212 29.700 0.017 0.000 1.251 95 E HN -0.185 nan 8.360 nan 0.000 0.450 96 P HA -0.229 nan 4.420 nan 0.000 0.216 96 P C 1.356 178.671 177.300 0.026 0.000 1.153 96 P CA 2.620 65.737 63.100 0.028 0.000 0.858 96 P CB 0.016 31.731 31.700 0.024 0.000 0.789 97 A N -0.167 122.666 122.820 0.022 0.000 1.986 97 A HA -0.156 4.164 4.320 -0.000 0.000 0.220 97 A C 2.423 180.022 177.584 0.026 0.000 1.171 97 A CA 2.096 54.146 52.037 0.021 0.000 0.640 97 A CB -1.911 17.100 19.000 0.018 0.000 0.811 97 A HN 0.315 nan 8.150 nan 0.000 0.451 98 G N -0.623 108.195 108.800 0.029 0.000 2.559 98 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.216 98 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.216 98 G C 1.315 176.240 174.900 0.041 0.000 1.126 98 G CA 0.665 45.787 45.100 0.037 0.000 0.778 98 G HN 0.474 nan 8.290 nan 0.000 0.543 99 L N 0.603 121.844 121.223 0.030 0.000 2.349 99 L HA -0.135 4.205 4.340 -0.000 0.000 0.220 99 L C 2.935 179.800 176.870 -0.008 0.000 1.130 99 L CA 1.588 56.434 54.840 0.010 0.000 0.791 99 L CB -0.192 41.876 42.059 0.014 0.000 0.918 99 L HN 0.427 nan 8.230 nan 0.000 0.444 100 K N -0.066 120.348 120.400 0.024 0.000 2.280 100 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 100 K C 2.044 178.676 176.600 0.053 0.000 1.047 100 K CA 1.224 57.544 56.287 0.055 0.000 0.942 100 K CB -0.742 31.797 32.500 0.066 0.000 0.739 100 K HN 0.186 nan 8.250 nan 0.000 0.457 101 G N 2.365 111.187 108.800 0.037 0.000 2.547 101 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.221 101 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.221 101 G C 1.494 176.287 174.900 -0.178 0.000 1.140 101 G CA 1.287 46.417 45.100 0.049 0.000 0.760 101 G HN 0.237 nan 8.290 nan 0.000 0.583 102 L N -0.712 120.306 121.223 -0.340 0.000 2.017 102 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 102 L C 2.624 179.402 176.870 -0.153 0.000 1.073 102 L CA 1.583 56.050 54.840 -0.620 0.000 0.745 102 L CB -0.586 40.942 42.059 -0.885 0.000 0.894 102 L HN 0.292 nan 8.230 nan 0.000 0.432 103 H N 0.404 119.418 119.070 -0.093 0.000 2.293 103 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 103 H C 2.152 177.509 175.328 0.049 0.000 1.082 103 H CA 1.943 58.032 56.048 0.068 0.000 1.308 103 H CB 0.058 29.857 29.762 0.062 0.000 1.375 103 H HN 0.257 nan 8.280 nan 0.000 0.495 104 E N -1.014 119.170 120.200 -0.027 0.000 2.160 104 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 104 E C 1.742 178.302 176.600 -0.066 0.000 0.991 104 E CA 1.196 57.554 56.400 -0.071 0.000 0.810 104 E CB -0.208 29.505 29.700 0.021 0.000 0.742 104 E HN 0.492 nan 8.360 nan 0.000 0.466 105 F N -0.602 119.187 119.950 -0.269 0.000 2.149 105 F HA -0.024 4.503 4.527 -0.000 0.000 0.294 105 F C 1.511 177.091 175.800 -0.367 0.000 1.095 105 F CA 1.166 58.949 58.000 -0.362 0.000 1.276 105 F CB -0.099 38.559 39.000 -0.570 0.000 1.023 105 F HN -0.076 nan 8.300 nan 0.000 0.480 106 F N -0.096 119.700 119.950 -0.257 0.000 2.270 106 F HA -0.066 4.461 4.527 -0.000 0.000 0.295 106 F C 2.458 178.118 175.800 -0.233 0.000 1.087 106 F CA 1.328 59.164 58.000 -0.274 0.000 1.365 106 F CB -1.019 37.998 39.000 0.027 0.000 1.056 106 F HN -0.209 nan 8.300 nan 0.000 0.506 107 T N 0.954 115.486 114.554 -0.037 0.000 2.653 107 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 107 T C -0.536 174.103 174.700 -0.102 0.000 1.035 107 T CA 1.693 63.726 62.100 -0.112 0.000 1.154 107 T CB -1.290 67.371 68.868 -0.344 0.000 0.862 107 T HN 0.116 nan 8.240 nan 0.000 0.441 108 P HA 0.094 nan 4.420 nan 0.000 0.233 108 P C 1.233 178.491 177.300 -0.070 0.000 1.167 108 P CA 0.522 63.563 63.100 -0.100 0.000 0.770 108 P CB -0.103 31.529 31.700 -0.113 0.000 0.837 109 V N -5.719 114.129 119.914 -0.110 0.000 3.484 109 V HA 0.134 4.254 4.120 -0.000 0.000 0.252 109 V C 2.038 178.168 176.094 0.060 0.000 1.282 109 V CA 0.077 62.353 62.300 -0.040 0.000 1.104 109 V CB -1.201 30.437 31.823 -0.309 0.000 0.868 109 V HN -0.087 nan 8.190 nan 0.000 0.457 110 L N 1.669 122.916 121.223 0.039 0.000 1.997 110 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 110 L C 3.148 180.061 176.870 0.071 0.000 1.074 110 L CA 3.090 57.974 54.840 0.073 0.000 0.763 110 L CB -0.603 41.486 42.059 0.050 0.000 0.890 110 L HN 0.531 nan 8.230 nan 0.000 0.434 111 R N 0.213 120.742 120.500 0.049 0.000 2.139 111 R HA -0.186 4.154 4.340 -0.000 0.000 0.243 111 R C 1.380 177.707 176.300 0.045 0.000 1.145 111 R CA 1.989 58.109 56.100 0.034 0.000 0.976 111 R CB -0.680 29.630 30.300 0.017 0.000 0.866 111 R HN 0.479 nan 8.270 nan 0.000 0.449 112 N N 1.073 119.825 118.700 0.086 0.000 2.461 112 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 112 N C 0.115 175.690 175.510 0.109 0.000 1.134 112 N CA 0.009 53.089 53.050 0.050 0.000 0.878 112 N CB 0.043 38.509 38.487 -0.034 0.000 0.972 112 N HN 0.174 nan 8.380 nan 0.000 0.456 113 L N 1.909 123.242 121.223 0.183 0.000 2.462 113 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 113 L C 0.933 177.851 176.870 0.080 0.000 1.166 113 L CA -0.206 54.742 54.840 0.179 0.000 0.880 113 L CB 0.194 42.333 42.059 0.132 0.000 1.142 113 L HN 0.023 nan 8.230 nan 0.000 0.473 114 G N 4.978 113.818 108.800 0.068 0.000 2.651 114 G HA2 0.184 4.144 3.960 -0.000 0.000 0.260 114 G HA3 0.184 4.144 3.960 -0.000 0.000 0.260 114 G C -0.165 174.740 174.900 0.008 0.000 1.216 114 G CA -0.744 44.370 45.100 0.022 0.000 0.913 114 G HN 0.754 nan 8.290 nan 0.000 0.535 115 R N -1.536 118.960 120.500 -0.006 0.000 2.590 115 R HA 0.190 4.530 4.340 -0.000 0.000 0.274 115 R C 0.362 176.649 176.300 -0.021 0.000 1.061 115 R CA 0.298 56.387 56.100 -0.017 0.000 1.081 115 R CB 0.133 30.422 30.300 -0.019 0.000 0.984 115 R HN 0.598 nan 8.270 nan 0.000 0.448 116 C N 1.999 121.276 119.300 -0.038 0.000 4.356 116 C HA -0.133 4.327 4.460 -0.000 0.000 0.296 116 C C 1.206 176.173 174.990 -0.038 0.000 1.424 116 C CA 0.471 59.457 59.018 -0.053 0.000 2.000 116 C CB -2.517 25.194 27.740 -0.048 0.000 1.262 116 C HN 1.053 nan 8.230 nan 0.000 0.789 117 G N 0.066 108.853 108.800 -0.023 0.000 2.634 117 G HA2 0.547 4.507 3.960 -0.000 0.000 0.255 117 G HA3 0.547 4.507 3.960 -0.000 0.000 0.255 117 G C -0.112 174.776 174.900 -0.021 0.000 1.205 117 G CA -0.361 44.739 45.100 0.001 0.000 0.884 117 G HN 0.470 nan 8.290 nan 0.000 0.549 118 R N -0.442 120.055 120.500 -0.005 0.000 2.534 118 R HA 0.496 4.836 4.340 -0.000 0.000 0.301 118 R C -1.254 175.053 176.300 0.011 0.000 0.961 118 R CA -0.732 55.351 56.100 -0.029 0.000 0.871 118 R CB 1.884 32.146 30.300 -0.064 0.000 1.170 118 R HN 0.271 nan 8.270 nan 0.000 0.446 119 V N 3.011 122.932 119.914 0.012 0.000 2.448 119 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 119 V C -0.353 175.779 176.094 0.064 0.000 1.025 119 V CA -0.788 61.563 62.300 0.085 0.000 0.859 119 V CB 2.225 34.074 31.823 0.045 0.000 0.988 119 V HN 0.431 nan 8.190 nan 0.000 0.431 120 V N 5.168 125.154 119.914 0.119 0.000 2.577 120 V HA 0.526 4.646 4.120 -0.000 0.000 0.303 120 V C -0.410 175.791 176.094 0.178 0.000 1.042 120 V CA -0.690 61.655 62.300 0.075 0.000 0.872 120 V CB 2.075 33.878 31.823 -0.033 0.000 0.998 120 V HN 0.563 nan 8.190 nan 0.000 0.423 121 V N 4.986 125.003 119.914 0.171 0.000 2.435 121 V HA 0.521 4.641 4.120 -0.000 0.000 0.290 121 V C -0.208 175.931 176.094 0.076 0.000 1.030 121 V CA -0.565 61.867 62.300 0.220 0.000 0.881 121 V CB 2.012 33.993 31.823 0.263 0.000 0.983 121 V HN 0.632 nan 8.190 nan 0.000 0.445 122 V N 4.282 124.222 119.914 0.043 0.000 2.384 122 V HA 0.822 4.942 4.120 -0.000 0.000 0.287 122 V C 0.616 176.728 176.094 0.029 0.000 1.020 122 V CA -0.011 62.288 62.300 -0.001 0.000 0.850 122 V CB 1.268 33.066 31.823 -0.042 0.000 0.987 122 V HN 0.995 nan 8.190 nan 0.000 0.436 123 G N 2.806 111.660 108.800 0.090 0.000 3.013 123 G HA2 0.735 4.695 3.960 -0.000 0.000 0.278 123 G HA3 0.735 4.695 3.960 -0.000 0.000 0.278 123 G C -0.321 174.750 174.900 0.285 0.000 1.353 123 G CA -0.511 44.712 45.100 0.207 0.000 1.043 123 G HN 0.956 nan 8.290 nan 0.000 0.523 124 G N -0.586 108.357 108.800 0.238 0.000 2.356 124 G HA2 0.471 4.431 3.960 -0.000 0.000 0.322 124 G HA3 0.471 4.431 3.960 -0.000 0.000 0.322 124 G C 0.163 175.078 174.900 0.025 0.000 1.125 124 G CA -0.221 44.964 45.100 0.142 0.000 0.885 124 G HN 0.638 nan 8.290 nan 0.000 0.467 125 T N 4.879 119.405 114.554 -0.047 0.000 2.466 125 T HA -0.021 4.329 4.350 -0.000 0.000 0.234 125 T C -1.351 173.168 174.700 -0.302 0.000 1.069 125 T CA -0.113 61.823 62.100 -0.273 0.000 1.271 125 T CB 0.899 69.709 68.868 -0.098 0.000 1.048 125 T HN 0.302 nan 8.240 nan 0.000 0.487 126 P HA -0.089 nan 4.420 nan 0.000 0.215 126 P C 1.398 178.612 177.300 -0.143 0.000 1.153 126 P CA 0.816 63.766 63.100 -0.250 0.000 0.853 126 P CB 0.132 31.679 31.700 -0.255 0.000 0.788 127 E N -0.396 119.721 120.200 -0.138 0.000 2.284 127 E HA -0.146 4.204 4.350 -0.000 0.000 0.200 127 E C 1.611 178.177 176.600 -0.057 0.000 1.008 127 E CA 1.490 57.844 56.400 -0.077 0.000 0.829 127 E CB -0.991 28.671 29.700 -0.063 0.000 0.744 127 E HN 0.259 nan 8.360 nan 0.000 0.491 128 A N -0.361 122.420 122.820 -0.065 0.000 2.503 128 A HA 0.602 4.922 4.320 -0.000 0.000 0.263 128 A C 0.861 178.426 177.584 -0.032 0.000 1.258 128 A CA 0.187 52.200 52.037 -0.039 0.000 0.936 128 A CB 0.076 19.057 19.000 -0.031 0.000 1.070 128 A HN 0.182 nan 8.150 nan 0.000 0.522 129 A N -0.556 122.241 122.820 -0.037 0.000 2.448 129 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 129 A C 1.437 179.012 177.584 -0.015 0.000 1.080 129 A CA 0.363 52.386 52.037 -0.024 0.000 0.779 129 A CB 0.154 19.140 19.000 -0.023 0.000 1.026 129 A HN 1.228 nan 8.150 nan 0.000 0.499 130 A N 0.567 123.382 122.820 -0.009 0.000 2.169 130 A HA 0.408 4.728 4.320 -0.000 0.000 0.212 130 A C 1.069 178.650 177.584 -0.005 0.000 1.153 130 A CA 1.196 53.229 52.037 -0.007 0.000 0.756 130 A CB -0.566 18.431 19.000 -0.005 0.000 0.813 130 A HN 1.728 nan 8.150 nan 0.000 0.471 131 S N -3.026 112.671 115.700 -0.005 0.000 2.618 131 S HA 0.409 4.879 4.470 -0.000 0.000 0.277 131 S C 0.645 175.244 174.600 -0.003 0.000 1.138 131 S CA 0.239 58.437 58.200 -0.003 0.000 0.844 131 S CB 0.993 64.193 63.200 -0.000 0.000 1.127 131 S HN 0.469 nan 8.310 nan 0.000 0.474 132 T N -0.482 114.071 114.554 -0.001 0.000 2.951 132 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 132 T C 1.312 176.014 174.700 0.003 0.000 1.073 132 T CA 1.288 63.388 62.100 -0.001 0.000 1.134 132 T CB -0.719 68.150 68.868 0.000 0.000 0.884 132 T HN 0.496 nan 8.240 nan 0.000 0.479 133 N N 1.454 120.157 118.700 0.005 0.000 2.166 133 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 133 N C 1.836 177.353 175.510 0.012 0.000 1.019 133 N CA 1.210 54.265 53.050 0.009 0.000 0.856 133 N CB -0.283 38.209 38.487 0.009 0.000 0.993 133 N HN 0.689 nan 8.380 nan 0.000 0.426 134 E N 0.407 120.612 120.200 0.009 0.000 2.112 134 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 134 E C 1.978 178.584 176.600 0.009 0.000 0.979 134 E CA 0.297 56.703 56.400 0.011 0.000 0.814 134 E CB 0.128 29.831 29.700 0.006 0.000 0.762 134 E HN 0.213 nan 8.360 nan 0.000 0.460 135 R N 0.539 121.037 120.500 -0.003 0.000 2.105 135 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 135 R C 2.255 178.556 176.300 0.003 0.000 1.135 135 R CA 1.322 57.413 56.100 -0.014 0.000 0.967 135 R CB -0.171 30.116 30.300 -0.022 0.000 0.861 135 R HN 0.225 nan 8.270 nan 0.000 0.442 136 I N 0.284 120.863 120.570 0.015 0.000 2.286 136 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 136 I C 2.475 178.618 176.117 0.043 0.000 1.104 136 I CA 1.163 62.478 61.300 0.026 0.000 1.397 136 I CB -0.274 37.740 38.000 0.023 0.000 1.072 136 I HN 0.283 nan 8.210 nan 0.000 0.417 137 A N -0.056 122.791 122.820 0.044 0.000 1.929 137 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 137 A C 2.229 179.867 177.584 0.090 0.000 1.176 137 A CA 1.110 53.183 52.037 0.059 0.000 0.628 137 A CB -0.296 18.734 19.000 0.050 0.000 0.816 137 A HN 0.359 nan 8.150 nan 0.000 0.444 138 Q N -0.802 119.055 119.800 0.094 0.000 2.245 138 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 138 Q C 2.124 178.259 176.000 0.225 0.000 0.955 138 Q CA 1.235 57.136 55.803 0.163 0.000 0.870 138 Q CB -0.318 28.487 28.738 0.112 0.000 0.945 138 Q HN 0.566 nan 8.270 nan 0.000 0.461 139 R N 1.394 121.969 120.500 0.126 0.000 2.090 139 R HA 0.042 4.382 4.340 -0.000 0.000 0.228 139 R C 1.920 178.318 176.300 0.163 0.000 1.110 139 R CA 1.468 57.654 56.100 0.143 0.000 0.973 139 R CB -0.853 29.485 30.300 0.064 0.000 0.869 139 R HN 0.167 nan 8.270 nan 0.000 0.440 140 A N 0.889 123.785 122.820 0.126 0.000 2.024 140 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 140 A C 2.193 179.866 177.584 0.149 0.000 1.164 140 A CA 1.378 53.486 52.037 0.117 0.000 0.643 140 A CB -0.655 18.400 19.000 0.090 0.000 0.806 140 A HN 0.371 nan 8.150 nan 0.000 0.451 141 L N -0.690 120.636 121.223 0.173 0.000 2.089 141 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 141 L C 2.605 179.579 176.870 0.174 0.000 1.079 141 L CA 2.101 57.044 54.840 0.172 0.000 0.758 141 L CB -0.639 41.520 42.059 0.168 0.000 0.891 141 L HN 0.688 nan 8.230 nan 0.000 0.433 142 E N 0.448 120.746 120.200 0.163 0.000 2.110 142 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 142 E C 2.205 178.866 176.600 0.102 0.000 0.988 142 E CA 1.238 57.709 56.400 0.118 0.000 0.804 142 E CB -0.198 29.587 29.700 0.143 0.000 0.745 142 E HN 0.411 nan 8.360 nan 0.000 0.458 143 G N 0.198 109.066 108.800 0.113 0.000 2.422 143 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 143 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 143 G C 1.354 176.303 174.900 0.082 0.000 1.146 143 G CA 0.752 45.901 45.100 0.082 0.000 0.769 143 G HN 0.402 nan 8.290 nan 0.000 0.547 144 F N 2.423 122.367 119.950 -0.009 0.000 2.074 144 F HA -0.092 4.435 4.527 -0.000 0.000 0.293 144 F C 3.112 178.864 175.800 -0.081 0.000 1.116 144 F CA 2.433 60.408 58.000 -0.042 0.000 1.212 144 F CB -0.597 38.385 39.000 -0.030 0.000 0.998 144 F HN 0.195 nan 8.300 nan 0.000 0.471 145 T N -1.428 113.221 114.554 0.160 0.000 2.849 145 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 145 T C 2.031 176.661 174.700 -0.116 0.000 1.066 145 T CA 1.349 63.446 62.100 -0.005 0.000 1.130 145 T CB -0.606 68.307 68.868 0.074 0.000 0.864 145 T HN 0.342 nan 8.240 nan 0.000 0.481 146 R N 0.949 121.404 120.500 -0.075 0.000 2.240 146 R HA 0.110 4.450 4.340 -0.000 0.000 0.203 146 R C 2.643 178.875 176.300 -0.113 0.000 1.011 146 R CA 1.116 57.174 56.100 -0.070 0.000 1.007 146 R CB -0.018 30.267 30.300 -0.025 0.000 0.911 146 R HN 0.673 nan 8.270 nan 0.000 0.468 147 S N -0.315 115.277 115.700 -0.179 0.000 2.502 147 S HA -0.013 4.457 4.470 -0.000 0.000 0.215 147 S C 1.761 176.199 174.600 -0.271 0.000 1.009 147 S CA -0.210 57.877 58.200 -0.189 0.000 0.908 147 S CB 0.114 63.213 63.200 -0.168 0.000 0.801 147 S HN 0.169 nan 8.310 nan 0.000 0.505 148 L N 2.899 123.872 121.223 -0.416 0.000 2.191 148 L HA 0.256 4.596 4.340 -0.000 0.000 0.212 148 L C 2.239 178.942 176.870 -0.279 0.000 1.103 148 L CA 1.821 56.376 54.840 -0.474 0.000 0.769 148 L CB -1.176 40.455 42.059 -0.714 0.000 0.908 148 L HN 0.381 nan 8.230 nan 0.000 0.438 149 G N -0.542 108.132 108.800 -0.210 0.000 2.462 149 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 149 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 149 G C 1.577 176.409 174.900 -0.113 0.000 1.121 149 G CA 0.768 45.784 45.100 -0.140 0.000 0.758 149 G HN 0.469 nan 8.290 nan 0.000 0.559 150 K N 0.228 120.560 120.400 -0.114 0.000 2.504 150 K HA 0.019 4.339 4.320 -0.000 0.000 0.195 150 K C 1.686 178.238 176.600 -0.080 0.000 1.036 150 K CA 0.722 56.958 56.287 -0.085 0.000 0.984 150 K CB 0.121 32.574 32.500 -0.078 0.000 0.788 150 K HN 0.424 nan 8.250 nan 0.000 0.488 151 E N 0.216 120.356 120.200 -0.099 0.000 2.476 151 E HA 0.124 4.474 4.350 -0.000 0.000 0.199 151 E C 0.058 176.618 176.600 -0.067 0.000 1.021 151 E CA -0.131 56.220 56.400 -0.082 0.000 0.907 151 E CB 0.472 30.112 29.700 -0.100 0.000 0.974 151 E HN 0.141 nan 8.360 nan 0.000 0.489 152 L N 1.423 122.602 121.223 -0.074 0.000 2.399 152 L HA 0.374 4.714 4.340 -0.000 0.000 0.265 152 L C 0.747 177.590 176.870 -0.045 0.000 1.089 152 L CA -0.724 54.080 54.840 -0.059 0.000 0.802 152 L CB 0.777 42.794 42.059 -0.071 0.000 1.180 152 L HN -0.068 nan 8.230 nan 0.000 0.454 153 R N 0.599 121.079 120.500 -0.034 0.000 2.774 153 R HA 0.147 4.487 4.340 -0.000 0.000 0.269 153 R C 0.254 176.531 176.300 -0.039 0.000 1.068 153 R CA -0.558 55.525 56.100 -0.030 0.000 1.180 153 R CB 0.254 30.541 30.300 -0.021 0.000 1.077 153 R HN 0.474 nan 8.270 nan 0.000 0.513 154 R N 0.533 121.011 120.500 -0.036 0.000 2.538 154 R HA -0.080 4.260 4.340 -0.000 0.000 0.282 154 R C 0.662 176.925 176.300 -0.061 0.000 1.009 154 R CA 1.495 57.569 56.100 -0.043 0.000 1.063 154 R CB 0.124 30.405 30.300 -0.030 0.000 0.945 154 R HN 0.933 nan 8.270 nan 0.000 0.414 155 G N 1.948 110.693 108.800 -0.091 0.000 2.184 155 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.264 155 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.264 155 G C 0.078 174.900 174.900 -0.130 0.000 0.975 155 G CA 0.279 45.297 45.100 -0.136 0.000 0.642 155 G HN 0.908 nan 8.290 nan 0.000 0.536 156 A N 0.268 123.033 122.820 -0.093 0.000 2.371 156 A HA 0.793 5.113 4.320 -0.000 0.000 0.257 156 A C 0.726 178.253 177.584 -0.094 0.000 1.089 156 A CA 1.170 53.159 52.037 -0.079 0.000 0.794 156 A CB 0.548 19.517 19.000 -0.052 0.000 1.029 156 A HN 1.768 nan 8.150 nan 0.000 0.488 157 T N -1.126 113.374 114.554 -0.090 0.000 2.916 157 T HA 0.815 5.165 4.350 -0.000 0.000 0.292 157 T C -0.180 174.477 174.700 -0.071 0.000 1.064 157 T CA -0.013 62.034 62.100 -0.089 0.000 1.011 157 T CB 1.567 70.373 68.868 -0.104 0.000 1.152 157 T HN 1.305 nan 8.240 nan 0.000 0.510 158 T N -1.864 112.654 114.554 -0.060 0.000 2.916 158 T HA 0.861 5.210 4.350 -0.000 0.000 0.292 158 T C -0.720 173.979 174.700 -0.001 0.000 1.055 158 T CA -0.785 61.287 62.100 -0.046 0.000 1.009 158 T CB 1.550 70.369 68.868 -0.083 0.000 1.118 158 T HN 1.520 nan 8.240 nan 0.000 0.497 159 A N 1.274 124.108 122.820 0.023 0.000 2.574 159 A HA 0.742 5.062 4.320 -0.000 0.000 0.297 159 A C -1.854 175.774 177.584 0.075 0.000 1.062 159 A CA -0.839 51.251 52.037 0.087 0.000 0.686 159 A CB 1.756 20.780 19.000 0.040 0.000 1.285 159 A HN 1.129 nan 8.150 nan 0.000 0.403 160 L N 1.994 123.283 121.223 0.111 0.000 2.356 160 L HA 0.790 5.130 4.340 -0.000 0.000 0.277 160 L C -1.350 175.537 176.870 0.029 0.000 0.996 160 L CA -0.447 54.388 54.840 -0.010 0.000 0.822 160 L CB 1.840 43.827 42.059 -0.121 0.000 1.256 160 L HN 0.479 nan 8.230 nan 0.000 0.413 161 V N 5.846 125.730 119.914 -0.050 0.000 2.407 161 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 161 V C -0.940 175.139 176.094 -0.025 0.000 1.018 161 V CA -0.552 61.765 62.300 0.029 0.000 0.842 161 V CB 1.233 33.065 31.823 0.015 0.000 0.996 161 V HN 0.542 nan 8.190 nan 0.000 0.426 162 Y N 4.763 125.156 120.300 0.155 0.000 2.323 162 Y HA 0.667 5.217 4.550 -0.000 0.000 0.331 162 Y C -0.080 175.879 175.900 0.099 0.000 1.092 162 Y CA -0.988 57.177 58.100 0.108 0.000 1.150 162 Y CB 1.591 40.112 38.460 0.102 0.000 1.200 162 Y HN 0.520 nan 8.280 nan 0.000 0.472 163 L N 2.457 123.827 121.223 0.244 0.000 2.362 163 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 163 L C 0.127 177.061 176.870 0.108 0.000 0.998 163 L CA -0.448 54.481 54.840 0.148 0.000 0.820 163 L CB 1.785 43.901 42.059 0.096 0.000 1.270 163 L HN 0.614 nan 8.230 nan 0.000 0.415 164 S N 5.657 121.407 115.700 0.084 0.000 2.573 164 S HA 0.113 4.583 4.470 -0.000 0.000 0.297 164 S C -1.509 173.113 174.600 0.036 0.000 1.280 164 S CA -0.388 57.842 58.200 0.050 0.000 1.061 164 S CB 0.476 63.702 63.200 0.044 0.000 0.812 164 S HN 0.652 nan 8.310 nan 0.000 0.500 165 P HA 0.044 nan 4.420 nan 0.000 0.230 165 P C 0.213 177.520 177.300 0.012 0.000 1.158 165 P CA 0.648 63.756 63.100 0.014 0.000 0.769 165 P CB 0.063 31.766 31.700 0.004 0.000 0.807 166 D N -0.425 119.984 120.400 0.014 0.000 2.350 166 D HA 0.123 4.763 4.640 -0.000 0.000 0.213 166 D C 0.962 177.272 176.300 0.017 0.000 1.031 166 D CA 0.101 54.108 54.000 0.013 0.000 0.861 166 D CB -0.258 40.549 40.800 0.013 0.000 0.926 166 D HN 0.067 nan 8.370 nan 0.000 0.520 167 A N 1.006 123.840 122.820 0.024 0.000 2.483 167 A HA 0.069 4.389 4.320 -0.000 0.000 0.238 167 A C 0.725 178.320 177.584 0.018 0.000 1.070 167 A CA 0.103 52.156 52.037 0.026 0.000 0.770 167 A CB 0.382 19.404 19.000 0.035 0.000 1.008 167 A HN -0.040 nan 8.150 nan 0.000 0.497 168 K N 2.075 122.486 120.400 0.018 0.000 2.138 168 K HA 0.229 4.549 4.320 -0.000 0.000 0.251 168 K C -1.691 174.915 176.600 0.010 0.000 1.015 168 K CA -1.378 54.917 56.287 0.013 0.000 0.917 168 K CB 0.236 32.744 32.500 0.013 0.000 1.021 168 K HN 0.393 nan 8.250 nan 0.000 0.485 169 P HA -0.149 nan 4.420 nan 0.000 0.220 169 P C 0.686 177.986 177.300 -0.000 0.000 1.148 169 P CA 0.998 64.097 63.100 -0.001 0.000 0.803 169 P CB 0.116 31.813 31.700 -0.004 0.000 0.782 170 A N 0.472 123.296 122.820 0.007 0.000 2.121 170 A HA 0.227 4.547 4.320 -0.000 0.000 0.218 170 A C 1.409 179.003 177.584 0.016 0.000 1.154 170 A CA 0.938 52.982 52.037 0.012 0.000 0.679 170 A CB -1.424 17.588 19.000 0.019 0.000 0.795 170 A HN 0.195 nan 8.150 nan 0.000 0.458 171 A N -1.071 121.759 122.820 0.018 0.000 2.640 171 A HA -0.211 4.109 4.320 -0.000 0.000 0.300 171 A C 1.528 179.137 177.584 0.041 0.000 1.499 171 A CA 1.704 53.756 52.037 0.024 0.000 0.759 171 A CB -2.654 16.351 19.000 0.009 0.000 1.048 171 A HN 1.547 nan 8.150 nan 0.000 0.450 172 T N -3.565 111.020 114.554 0.052 0.000 2.915 172 T HA 0.090 4.440 4.350 -0.000 0.000 0.269 172 T C 1.810 176.568 174.700 0.096 0.000 1.071 172 T CA 1.790 63.936 62.100 0.077 0.000 1.132 172 T CB -0.417 68.494 68.868 0.072 0.000 0.878 172 T HN 1.516 nan 8.240 nan 0.000 0.479 173 G N 0.574 109.423 108.800 0.081 0.000 2.744 173 G HA2 0.168 4.128 3.960 -0.000 0.000 0.211 173 G HA3 0.168 4.128 3.960 -0.000 0.000 0.211 173 G C 1.263 176.230 174.900 0.113 0.000 1.143 173 G CA 0.386 45.542 45.100 0.093 0.000 0.788 173 G HN 0.495 nan 8.290 nan 0.000 0.534 174 L N -0.264 121.017 121.223 0.096 0.000 2.416 174 L HA 0.371 4.711 4.340 -0.000 0.000 0.216 174 L C 2.187 179.102 176.870 0.075 0.000 1.098 174 L CA 1.008 55.898 54.840 0.083 0.000 0.840 174 L CB -0.051 42.034 42.059 0.044 0.000 0.981 174 L HN 0.265 nan 8.230 nan 0.000 0.462 175 E N -0.498 119.762 120.200 0.099 0.000 2.085 175 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 175 E C 2.147 178.779 176.600 0.055 0.000 0.994 175 E CA 1.579 58.020 56.400 0.069 0.000 0.801 175 E CB 0.039 29.835 29.700 0.160 0.000 0.743 175 E HN 0.708 nan 8.360 nan 0.000 0.453 176 S N -0.508 115.333 115.700 0.235 0.000 2.383 176 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 176 S C 2.079 176.834 174.600 0.258 0.000 1.026 176 S CA 1.547 59.935 58.200 0.315 0.000 0.981 176 S CB -0.593 62.847 63.200 0.401 0.000 0.818 176 S HN 0.157 nan 8.310 nan 0.000 0.472 177 T N 2.995 117.691 114.554 0.237 0.000 2.708 177 T HA 0.016 4.365 4.350 -0.000 0.000 0.266 177 T C 1.943 176.531 174.700 -0.186 0.000 1.037 177 T CA 1.613 63.727 62.100 0.025 0.000 1.146 177 T CB -0.372 68.515 68.868 0.031 0.000 0.865 177 T HN 0.259 nan 8.240 nan 0.000 0.435 178 M N 1.046 120.558 119.600 -0.147 0.000 2.108 178 M HA -0.030 4.450 4.480 -0.000 0.000 0.261 178 M C 2.302 178.472 176.300 -0.217 0.000 1.066 178 M CA 1.543 56.717 55.300 -0.210 0.000 1.107 178 M CB -1.048 31.436 32.600 -0.194 0.000 1.356 178 M HN 0.207 nan 8.290 nan 0.000 0.406 179 R N -1.101 119.286 120.500 -0.187 0.000 2.115 179 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 179 R C 2.123 178.385 176.300 -0.062 0.000 1.111 179 R CA 1.235 57.240 56.100 -0.159 0.000 0.976 179 R CB -0.465 29.607 30.300 -0.379 0.000 0.870 179 R HN 0.281 nan 8.270 nan 0.000 0.445 180 F N 1.272 121.089 119.950 -0.222 0.000 2.146 180 F HA -0.077 4.450 4.527 0.000 0.000 0.298 180 F C 1.714 177.344 175.800 -0.283 0.000 1.096 180 F CA 1.286 59.131 58.000 -0.260 0.000 1.275 180 F CB -0.239 38.467 39.000 -0.490 0.000 1.008 180 F HN -0.127 nan 8.300 nan 0.000 0.480 181 L N 0.083 120.990 121.223 -0.527 0.000 2.056 181 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 181 L C 1.066 177.712 176.870 -0.374 0.000 1.078 181 L CA 0.738 55.219 54.840 -0.599 0.000 0.749 181 L CB -0.588 41.169 42.059 -0.503 0.000 0.901 181 L HN 0.037 nan 8.230 nan 0.000 0.433 182 L N 0.822 121.900 121.223 -0.242 0.000 2.480 182 L HA 0.170 4.510 4.340 -0.000 0.000 0.243 182 L C 0.166 177.061 176.870 0.042 0.000 1.315 182 L CA -0.222 54.556 54.840 -0.102 0.000 1.231 182 L CB -0.575 41.375 42.059 -0.183 0.000 1.444 182 L HN 0.227 nan 8.230 nan 0.000 0.409 183 S N -0.885 114.781 115.700 -0.057 0.000 2.615 183 S HA 0.543 5.013 4.470 -0.000 0.000 0.268 183 S C 0.314 174.885 174.600 -0.048 0.000 1.146 183 S CA -0.158 58.039 58.200 -0.004 0.000 0.818 183 S CB 1.341 64.551 63.200 0.016 0.000 1.111 183 S HN 0.125 nan 8.310 nan 0.000 0.465 184 A N 0.763 123.604 122.820 0.035 0.000 2.167 184 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 184 A C 1.764 179.380 177.584 0.053 0.000 1.151 184 A CA 1.031 53.093 52.037 0.042 0.000 0.735 184 A CB -0.739 18.314 19.000 0.088 0.000 0.802 184 A HN 0.802 nan 8.150 nan 0.000 0.467 185 K N 0.654 121.085 120.400 0.052 0.000 2.211 185 K HA -0.100 4.220 4.320 -0.000 0.000 0.204 185 K C 1.441 178.048 176.600 0.012 0.000 1.047 185 K CA 1.475 57.809 56.287 0.077 0.000 0.935 185 K CB -0.097 32.469 32.500 0.109 0.000 0.728 185 K HN 0.608 nan 8.250 nan 0.000 0.452 186 S N -0.610 114.920 115.700 -0.283 0.000 2.583 186 S HA 0.321 4.791 4.470 -0.000 0.000 0.239 186 S C 1.565 176.060 174.600 -0.174 0.000 0.966 186 S CA 0.034 57.955 58.200 -0.465 0.000 0.973 186 S CB 0.662 63.176 63.200 -1.143 0.000 0.794 186 S HN 0.219 nan 8.310 nan 0.000 0.463 187 A N 1.295 124.089 122.820 -0.044 0.000 1.954 187 A HA -0.161 4.159 4.320 -0.000 0.000 0.222 187 A C 1.249 178.734 177.584 -0.165 0.000 1.199 187 A CA 1.552 53.559 52.037 -0.051 0.000 0.657 187 A CB -0.893 18.163 19.000 0.094 0.000 0.823 187 A HN 0.748 nan 8.150 nan 0.000 0.463 188 Y N -1.392 118.911 120.300 0.004 0.000 2.734 188 Y HA 0.403 4.953 4.550 -0.000 0.000 0.278 188 Y C -0.340 175.587 175.900 0.045 0.000 1.108 188 Y CA -0.388 57.726 58.100 0.024 0.000 1.211 188 Y CB 0.955 39.435 38.460 0.034 0.000 1.182 188 Y HN -0.009 nan 8.280 nan 0.000 0.547 189 V N 0.946 120.930 119.914 0.116 0.000 2.334 189 V HA 0.370 4.490 4.120 -0.000 0.000 0.281 189 V C -0.940 175.197 176.094 0.071 0.000 1.016 189 V CA -0.548 61.836 62.300 0.140 0.000 0.832 189 V CB 1.556 33.505 31.823 0.208 0.000 0.999 189 V HN 0.128 nan 8.190 nan 0.000 0.439 190 D N 3.157 123.600 120.400 0.073 0.000 2.947 190 D HA 0.573 5.213 4.640 -0.000 0.000 0.224 190 D C 0.623 176.946 176.300 0.038 0.000 1.230 190 D CA 0.620 54.638 54.000 0.029 0.000 0.871 190 D CB 2.009 42.801 40.800 -0.014 0.000 1.671 190 D HN 0.786 nan 8.370 nan 0.000 0.507 191 G N 2.249 111.066 108.800 0.028 0.000 2.179 191 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 191 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 191 G C 0.109 175.030 174.900 0.035 0.000 1.010 191 G CA 0.244 45.355 45.100 0.019 0.000 0.736 191 G HN 0.444 nan 8.290 nan 0.000 0.513 192 Q N -0.951 118.893 119.800 0.072 0.000 2.193 192 Q HA 0.703 5.043 4.340 -0.000 0.000 0.246 192 Q C 0.144 176.154 176.000 0.016 0.000 0.959 192 Q CA -0.659 55.142 55.803 -0.004 0.000 0.904 192 Q CB 2.181 30.855 28.738 -0.107 0.000 1.238 192 Q HN 0.328 nan 8.270 nan 0.000 0.469 193 V N 1.633 121.469 119.914 -0.130 0.000 2.487 193 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 193 V C -0.894 175.105 176.094 -0.158 0.000 1.028 193 V CA -0.603 61.676 62.300 -0.034 0.000 0.860 193 V CB 0.976 32.809 31.823 0.017 0.000 0.991 193 V HN 0.533 nan 8.190 nan 0.000 0.427 194 F N 2.097 122.099 119.950 0.086 0.000 2.482 194 F HA 0.559 5.086 4.527 -0.000 0.000 0.331 194 F C 0.515 176.429 175.800 0.190 0.000 1.115 194 F CA -0.416 57.687 58.000 0.172 0.000 0.955 194 F CB 2.195 41.292 39.000 0.161 0.000 1.136 194 F HN 0.412 nan 8.300 nan 0.000 0.452 195 S N 3.472 119.388 115.700 0.360 0.000 2.520 195 S HA 0.621 5.091 4.470 -0.000 0.000 0.324 195 S C -0.933 173.829 174.600 0.270 0.000 1.069 195 S CA -0.535 57.853 58.200 0.313 0.000 1.121 195 S CB 0.278 63.624 63.200 0.244 0.000 0.971 195 S HN 0.368 nan 8.310 nan 0.000 0.463 196 V N 5.337 125.402 119.914 0.253 0.000 2.439 196 V HA 0.607 4.727 4.120 -0.000 0.000 0.282 196 V C 1.336 177.515 176.094 0.143 0.000 1.039 196 V CA -0.309 62.109 62.300 0.197 0.000 0.913 196 V CB 1.165 33.097 31.823 0.183 0.000 0.983 196 V HN 0.899 nan 8.190 nan 0.000 0.460 197 G N 2.857 111.723 108.800 0.110 0.000 2.666 197 G HA2 0.472 4.432 3.960 -0.000 0.000 0.207 197 G HA3 0.472 4.432 3.960 -0.000 0.000 0.207 197 G C 0.851 175.790 174.900 0.065 0.000 1.481 197 G CA 0.248 45.394 45.100 0.077 0.000 1.071 197 G HN 0.909 nan 8.290 nan 0.000 0.572 198 A N -1.356 121.493 122.820 0.048 0.000 2.252 198 A HA 0.324 4.644 4.320 -0.000 0.000 0.213 198 A C 0.593 178.198 177.584 0.035 0.000 1.188 198 A CA 0.187 52.247 52.037 0.038 0.000 0.863 198 A CB 0.062 19.078 19.000 0.028 0.000 0.893 198 A HN 0.430 nan 8.150 nan 0.000 0.495 199 D N 1.731 122.153 120.400 0.037 0.000 2.357 199 D HA 0.239 4.879 4.640 -0.000 0.000 0.242 199 D C -0.493 175.828 176.300 0.035 0.000 1.153 199 D CA 0.014 54.032 54.000 0.030 0.000 0.918 199 D CB 0.550 41.366 40.800 0.027 0.000 1.181 199 D HN 0.262 nan 8.370 nan 0.000 0.435 200 D N -0.077 120.340 120.400 0.028 0.000 2.360 200 D HA 0.267 4.907 4.640 -0.000 0.000 0.242 200 D C -0.005 176.316 176.300 0.035 0.000 1.184 200 D CA 0.107 54.126 54.000 0.032 0.000 0.930 200 D CB 0.828 41.642 40.800 0.024 0.000 1.161 200 D HN 0.064 nan 8.370 nan 0.000 0.447 201 S N -0.894 114.832 115.700 0.044 0.000 2.671 201 S HA 0.643 5.113 4.470 -0.000 0.000 0.299 201 S C -0.539 174.079 174.600 0.030 0.000 1.116 201 S CA -0.698 57.528 58.200 0.043 0.000 0.912 201 S CB 2.094 65.341 63.200 0.078 0.000 1.130 201 S HN 0.346 nan 8.310 nan 0.000 0.501 202 T N 3.332 117.886 114.554 -0.001 0.000 2.881 202 T HA 0.500 4.850 4.350 -0.000 0.000 0.291 202 T C -2.744 171.887 174.700 -0.115 0.000 0.990 202 T CA -1.050 61.028 62.100 -0.036 0.000 0.976 202 T CB 1.403 70.241 68.868 -0.050 0.000 0.970 202 T HN 0.254 nan 8.240 nan 0.000 0.438 203 P HA 0.181 nan 4.420 nan 0.000 0.266 203 P C -2.384 174.580 177.300 -0.561 0.000 1.193 203 P CA -1.005 61.813 63.100 -0.471 0.000 0.770 203 P CB -0.299 31.226 31.700 -0.291 0.000 0.836 204 P HA -0.001 nan 4.420 nan 0.000 0.270 204 P C 0.484 177.507 177.300 -0.461 0.000 1.223 204 P CA -0.038 62.741 63.100 -0.534 0.000 0.785 204 P CB 0.445 31.835 31.700 -0.516 0.000 0.923 205 A N 1.092 123.754 122.820 -0.262 0.000 1.927 205 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 205 A C 0.942 178.426 177.584 -0.166 0.000 1.185 205 A CA 1.971 53.904 52.037 -0.173 0.000 0.639 205 A CB -0.803 18.134 19.000 -0.105 0.000 0.820 205 A HN 0.625 nan 8.150 nan 0.000 0.451 206 D N -2.978 117.315 120.400 -0.178 0.000 2.476 206 D HA 0.313 4.953 4.640 -0.000 0.000 0.251 206 D C -0.049 176.228 176.300 -0.039 0.000 1.291 206 D CA -0.807 53.149 54.000 -0.074 0.000 0.939 206 D CB 0.186 40.976 40.800 -0.016 0.000 1.221 206 D HN 0.296 nan 8.370 nan 0.000 0.567 207 W N 2.086 123.395 121.300 0.015 0.000 2.468 207 W HA -0.017 4.643 4.660 -0.000 0.000 0.262 207 W C 1.776 178.307 176.519 0.018 0.000 1.241 207 W CA 0.085 57.441 57.345 0.018 0.000 1.232 207 W CB 0.369 29.850 29.460 0.035 0.000 1.124 207 W HN 0.427 nan 8.180 nan 0.000 0.597 208 E N 0.206 120.553 120.200 0.244 0.000 2.435 208 E HA -0.041 4.309 4.350 -0.000 0.000 0.195 208 E C 0.612 177.276 176.600 0.107 0.000 1.029 208 E CA 0.864 57.374 56.400 0.184 0.000 0.865 208 E CB 0.006 29.820 29.700 0.190 0.000 0.833 208 E HN 0.150 nan 8.360 nan 0.000 0.510 209 K N 0.767 121.201 120.400 0.057 0.000 3.146 209 K HA 0.189 4.509 4.320 -0.000 0.000 0.168 209 K C -2.161 174.409 176.600 -0.049 0.000 1.075 209 K CA -1.352 54.934 56.287 -0.001 0.000 0.843 209 K CB 1.552 34.046 32.500 -0.010 0.000 1.002 209 K HN -0.069 nan 8.250 nan 0.000 0.597 210 P HA -0.038 nan 4.420 nan 0.000 0.225 210 P C 0.835 178.051 177.300 -0.140 0.000 1.156 210 P CA 0.635 63.678 63.100 -0.095 0.000 0.787 210 P CB 0.392 32.080 31.700 -0.020 0.000 0.802 211 L N -0.696 120.436 121.223 -0.152 0.000 2.653 211 L HA 0.215 4.555 4.340 -0.000 0.000 0.231 211 L C 0.645 177.420 176.870 -0.160 0.000 1.153 211 L CA -0.419 54.305 54.840 -0.193 0.000 0.933 211 L CB -0.787 41.100 42.059 -0.287 0.000 1.175 211 L HN -0.125 nan 8.230 nan 0.000 0.473 212 D N 1.644 121.968 120.400 -0.128 0.000 2.662 212 D HA 0.037 4.677 4.640 -0.000 0.000 0.237 212 D C 1.420 177.667 176.300 -0.087 0.000 1.154 212 D CA 1.631 55.566 54.000 -0.108 0.000 0.861 212 D CB 0.718 41.470 40.800 -0.080 0.000 1.146 212 D HN 0.414 nan 8.370 nan 0.000 0.518 213 G N 3.742 112.488 108.800 -0.090 0.000 2.328 213 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.256 213 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.256 213 G C 0.454 175.399 174.900 0.075 0.000 1.014 213 G CA 0.513 45.636 45.100 0.038 0.000 0.620 213 G HN 0.564 nan 8.290 nan 0.000 0.530 214 K N 0.537 120.920 120.400 -0.029 0.000 2.380 214 K HA 0.444 4.764 4.320 -0.000 0.000 0.267 214 K C 0.349 176.949 176.600 -0.000 0.000 0.990 214 K CA -0.188 56.080 56.287 -0.031 0.000 0.946 214 K CB 1.591 34.029 32.500 -0.103 0.000 0.937 214 K HN 0.179 nan 8.250 nan 0.000 0.491 215 V N 1.761 121.658 119.914 -0.029 0.000 2.370 215 V HA 0.354 4.474 4.120 -0.000 0.000 0.279 215 V C -0.034 176.027 176.094 -0.054 0.000 1.029 215 V CA -0.794 61.443 62.300 -0.105 0.000 0.870 215 V CB 1.204 32.873 31.823 -0.258 0.000 0.984 215 V HN 0.818 nan 8.190 nan 0.000 0.451 216 A N 6.549 129.372 122.820 0.005 0.000 2.303 216 A HA 0.820 5.140 4.320 -0.000 0.000 0.320 216 A C -0.598 177.025 177.584 0.066 0.000 1.192 216 A CA -0.534 51.571 52.037 0.114 0.000 0.821 216 A CB 0.542 19.769 19.000 0.378 0.000 1.188 216 A HN 0.777 nan 8.150 nan 0.000 0.492 217 I N 2.487 123.083 120.570 0.043 0.000 2.365 217 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 217 I C -0.583 175.524 176.117 -0.018 0.000 1.004 217 I CA -0.346 60.954 61.300 -0.000 0.000 1.311 217 I CB 1.605 39.600 38.000 -0.007 0.000 1.401 217 I HN 0.300 nan 8.210 nan 0.000 0.491 218 V N 4.767 124.639 119.914 -0.071 0.000 2.483 218 V HA 0.379 4.499 4.120 -0.000 0.000 0.297 218 V C 0.207 176.231 176.094 -0.117 0.000 1.027 218 V CA -0.663 61.565 62.300 -0.120 0.000 0.855 218 V CB 1.883 33.584 31.823 -0.203 0.000 0.995 218 V HN 0.865 nan 8.190 nan 0.000 0.424 219 T N 0.437 114.932 114.554 -0.099 0.000 2.927 219 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 219 T C 0.986 175.633 174.700 -0.088 0.000 0.998 219 T CA 0.199 62.246 62.100 -0.089 0.000 1.019 219 T CB 1.494 70.325 68.868 -0.063 0.000 1.061 219 T HN 2.032 nan 8.240 nan 0.000 0.518 220 G N 0.102 108.857 108.800 -0.076 0.000 2.356 220 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.296 220 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.296 220 G C 0.690 175.541 174.900 -0.082 0.000 1.022 220 G CA 0.133 45.195 45.100 -0.064 0.000 0.961 220 G HN 1.493 nan 8.290 nan 0.000 0.510 221 A N -1.134 121.623 122.820 -0.105 0.000 2.308 221 A HA 0.714 5.034 4.320 -0.000 0.000 0.217 221 A C 2.402 179.923 177.584 -0.105 0.000 1.216 221 A CA 1.332 53.297 52.037 -0.119 0.000 0.864 221 A CB -0.127 18.785 19.000 -0.147 0.000 0.902 221 A HN 1.668 nan 8.150 nan 0.000 0.499 222 A N -0.096 122.672 122.820 -0.087 0.000 1.872 222 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 222 A C 1.539 179.099 177.584 -0.040 0.000 1.187 222 A CA 0.734 52.734 52.037 -0.061 0.000 0.614 222 A CB 0.017 19.000 19.000 -0.029 0.000 0.826 222 A HN 0.371 nan 8.150 nan 0.000 0.442 223 R N -2.886 117.593 120.500 -0.036 0.000 2.930 223 R HA 0.527 4.867 4.340 -0.000 0.000 0.257 223 R C 0.542 176.817 176.300 -0.041 0.000 1.107 223 R CA 0.117 56.198 56.100 -0.031 0.000 0.999 223 R CB 0.614 30.903 30.300 -0.018 0.000 1.209 223 R HN 0.803 nan 8.270 nan 0.000 0.486 224 G N 0.808 109.584 108.800 -0.041 0.000 2.598 224 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 224 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 224 G C 0.908 175.773 174.900 -0.057 0.000 1.302 224 G CA -0.109 44.962 45.100 -0.048 0.000 0.903 224 G HN 0.467 nan 8.290 nan 0.000 0.575 225 I N 1.479 122.013 120.570 -0.060 0.000 2.248 225 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 225 I C 3.068 179.133 176.117 -0.087 0.000 1.107 225 I CA 2.599 63.859 61.300 -0.066 0.000 1.373 225 I CB -2.140 35.826 38.000 -0.058 0.000 1.055 225 I HN 0.795 nan 8.210 nan 0.000 0.418 226 G N 1.117 109.864 108.800 -0.088 0.000 2.446 226 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 226 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 226 G C 1.907 176.732 174.900 -0.125 0.000 1.168 226 G CA 1.304 46.335 45.100 -0.114 0.000 0.771 226 G HN 0.515 nan 8.290 nan 0.000 0.551 227 A N 0.128 122.893 122.820 -0.092 0.000 1.902 227 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 227 A C 2.546 180.084 177.584 -0.078 0.000 1.181 227 A CA 2.512 54.501 52.037 -0.080 0.000 0.623 227 A CB -0.960 18.007 19.000 -0.055 0.000 0.818 227 A HN 0.317 nan 8.150 nan 0.000 0.443 228 T N 0.327 114.838 114.554 -0.072 0.000 2.746 228 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 228 T C 1.789 176.438 174.700 -0.085 0.000 1.039 228 T CA 1.496 63.561 62.100 -0.058 0.000 1.142 228 T CB -0.421 68.420 68.868 -0.045 0.000 0.866 228 T HN 0.421 nan 8.240 nan 0.000 0.444 229 I N 1.521 121.996 120.570 -0.158 0.000 2.127 229 I HA -0.213 3.957 4.170 -0.000 0.000 0.241 229 I C 2.951 178.837 176.117 -0.385 0.000 1.075 229 I CA 1.230 62.342 61.300 -0.314 0.000 1.334 229 I CB -0.546 37.188 38.000 -0.443 0.000 1.040 229 I HN 0.189 nan 8.210 nan 0.000 0.405 230 A N 0.247 122.895 122.820 -0.287 0.000 1.917 230 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 230 A C 2.227 179.793 177.584 -0.030 0.000 1.182 230 A CA 2.108 54.049 52.037 -0.160 0.000 0.633 230 A CB -0.693 18.237 19.000 -0.117 0.000 0.819 230 A HN 0.496 nan 8.150 nan 0.000 0.448 231 E N -0.793 119.394 120.200 -0.023 0.000 2.072 231 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 231 E C 1.998 178.643 176.600 0.075 0.000 0.985 231 E CA 1.174 57.589 56.400 0.026 0.000 0.801 231 E CB -0.174 29.535 29.700 0.016 0.000 0.750 231 E HN 0.407 nan 8.360 nan 0.000 0.452 232 V N 0.772 120.742 119.914 0.093 0.000 2.379 232 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 232 V C 1.900 178.153 176.094 0.266 0.000 1.044 232 V CA 1.323 63.717 62.300 0.157 0.000 1.036 232 V CB -0.431 31.485 31.823 0.155 0.000 0.664 232 V HN 0.194 nan 8.190 nan 0.000 0.453 233 F N 1.102 121.041 119.950 -0.018 0.000 2.095 233 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 233 F C 2.477 178.253 175.800 -0.040 0.000 1.104 233 F CA 1.261 59.242 58.000 -0.031 0.000 1.232 233 F CB -1.450 37.530 39.000 -0.033 0.000 0.987 233 F HN 0.136 nan 8.300 nan 0.000 0.475 234 A N -0.177 122.740 122.820 0.162 0.000 1.902 234 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 234 A C 2.439 180.047 177.584 0.039 0.000 1.181 234 A CA 1.713 53.788 52.037 0.063 0.000 0.623 234 A CB -0.862 18.172 19.000 0.056 0.000 0.818 234 A HN 0.319 nan 8.150 nan 0.000 0.443 235 R N -0.303 120.237 120.500 0.067 0.000 2.117 235 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 235 R C 0.505 176.831 176.300 0.042 0.000 1.143 235 R CA 1.945 58.086 56.100 0.068 0.000 0.968 235 R CB -0.352 30.007 30.300 0.098 0.000 0.863 235 R HN 0.392 nan 8.270 nan 0.000 0.444 236 D N -1.319 119.089 120.400 0.013 0.000 2.349 236 D HA 0.103 4.743 4.640 -0.000 0.000 0.224 236 D C 0.853 177.111 176.300 -0.071 0.000 1.029 236 D CA 1.038 55.017 54.000 -0.036 0.000 0.879 236 D CB 0.635 41.385 40.800 -0.083 0.000 0.906 236 D HN 0.566 nan 8.370 nan 0.000 0.528 237 G N 0.001 108.757 108.800 -0.072 0.000 2.144 237 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 237 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 237 G C 0.531 175.292 174.900 -0.233 0.000 0.988 237 G CA 0.062 45.086 45.100 -0.126 0.000 0.659 237 G HN 0.580 nan 8.290 nan 0.000 0.522 238 A N -0.269 122.436 122.820 -0.191 0.000 2.332 238 A HA 0.677 4.997 4.320 -0.000 0.000 0.258 238 A C 0.089 177.528 177.584 -0.241 0.000 1.087 238 A CA -0.081 51.832 52.037 -0.207 0.000 0.802 238 A CB 0.266 19.200 19.000 -0.110 0.000 1.042 238 A HN 0.623 nan 8.150 nan 0.000 0.489 239 H N -0.225 118.857 119.070 0.019 0.000 2.594 239 H HA 0.435 4.991 4.556 -0.000 0.000 0.304 239 H C -0.564 174.773 175.328 0.015 0.000 1.068 239 H CA -0.343 55.734 56.048 0.049 0.000 1.308 239 H CB 1.124 30.950 29.762 0.107 0.000 1.409 239 H HN 0.316 nan 8.280 nan 0.000 0.460 240 V N 5.143 125.147 119.914 0.149 0.000 2.407 240 V HA 0.101 4.221 4.120 -0.000 0.000 0.278 240 V C -0.049 176.085 176.094 0.066 0.000 1.037 240 V CA -0.699 61.656 62.300 0.092 0.000 0.900 240 V CB 1.569 33.431 31.823 0.066 0.000 0.983 240 V HN 0.509 nan 8.190 nan 0.000 0.459 241 V N 5.106 125.036 119.914 0.026 0.000 2.368 241 V HA 0.509 4.629 4.120 -0.000 0.000 0.266 241 V C 0.634 176.670 176.094 -0.096 0.000 1.045 241 V CA -0.393 61.906 62.300 -0.002 0.000 0.899 241 V CB 1.205 33.041 31.823 0.022 0.000 1.006 241 V HN 0.957 nan 8.190 nan 0.000 0.470 242 A N 7.416 130.144 122.820 -0.154 0.000 2.279 242 A HA 0.721 5.041 4.320 -0.000 0.000 0.306 242 A C -0.333 177.080 177.584 -0.285 0.000 1.300 242 A CA -0.304 51.613 52.037 -0.200 0.000 0.925 242 A CB -0.016 18.865 19.000 -0.198 0.000 1.152 242 A HN 0.787 nan 8.150 nan 0.000 0.544 243 I N 2.630 123.063 120.570 -0.229 0.000 2.377 243 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 243 I C -0.407 175.595 176.117 -0.191 0.000 0.987 243 I CA -0.181 60.982 61.300 -0.228 0.000 1.185 243 I CB 1.652 39.557 38.000 -0.160 0.000 1.341 243 I HN 0.627 nan 8.210 nan 0.000 0.455 244 D N 3.565 123.844 120.400 -0.201 0.000 2.692 244 D HA 0.306 4.946 4.640 -0.000 0.000 0.303 244 D C -0.994 175.295 176.300 -0.020 0.000 1.278 244 D CA -0.327 53.611 54.000 -0.103 0.000 0.852 244 D CB 2.510 43.252 40.800 -0.097 0.000 1.375 244 D HN 0.047 nan 8.370 nan 0.000 0.453 245 V N 1.180 121.119 119.914 0.041 0.000 3.139 245 V HA -0.013 4.107 4.120 -0.000 0.000 0.307 245 V C 1.613 177.841 176.094 0.224 0.000 1.095 245 V CA 0.714 63.073 62.300 0.098 0.000 1.160 245 V CB 1.081 32.942 31.823 0.063 0.000 1.003 245 V HN 0.572 nan 8.190 nan 0.000 0.489 246 E N 1.306 121.628 120.200 0.203 0.000 2.204 246 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 246 E C 1.960 178.645 176.600 0.141 0.000 0.990 246 E CA 1.370 57.899 56.400 0.216 0.000 0.821 246 E CB 0.016 29.762 29.700 0.078 0.000 0.750 246 E HN 0.893 nan 8.360 nan 0.000 0.477 247 S N -0.360 115.407 115.700 0.112 0.000 2.527 247 S HA 0.122 4.592 4.470 -0.000 0.000 0.222 247 S C 1.993 176.657 174.600 0.106 0.000 0.985 247 S CA 0.380 58.623 58.200 0.072 0.000 0.921 247 S CB 0.406 63.633 63.200 0.045 0.000 0.772 247 S HN 0.259 nan 8.310 nan 0.000 0.529 248 A N 1.917 124.839 122.820 0.171 0.000 2.070 248 A HA 0.358 4.678 4.320 -0.000 0.000 0.220 248 A C 1.885 179.627 177.584 0.264 0.000 1.159 248 A CA 1.349 53.494 52.037 0.181 0.000 0.656 248 A CB -1.403 17.690 19.000 0.155 0.000 0.800 248 A HN 1.499 nan 8.150 nan 0.000 0.453 249 A N -0.193 122.842 122.820 0.359 0.000 5.395 249 A HA -0.436 3.884 4.320 -0.000 0.000 0.332 249 A C 1.405 179.226 177.584 0.395 0.000 1.754 249 A CA 2.436 54.611 52.037 0.230 0.000 0.716 249 A CB -1.800 17.223 19.000 0.037 0.000 1.411 249 A HN 0.998 nan 8.150 nan 0.000 0.398 250 E N 0.180 120.495 120.200 0.192 0.000 2.130 250 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 250 E C 1.608 178.314 176.600 0.177 0.000 0.998 250 E CA 1.375 57.884 56.400 0.182 0.000 0.806 250 E CB -0.570 29.184 29.700 0.090 0.000 0.738 250 E HN 0.658 nan 8.360 nan 0.000 0.459 251 N N 0.712 119.496 118.700 0.141 0.000 2.061 251 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 251 N C 1.955 177.503 175.510 0.063 0.000 1.030 251 N CA 1.389 54.489 53.050 0.085 0.000 0.856 251 N CB -0.227 38.297 38.487 0.062 0.000 1.023 251 N HN 0.153 nan 8.380 nan 0.000 0.424 252 L N 1.506 122.780 121.223 0.086 0.000 2.017 252 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 252 L C 2.353 179.161 176.870 -0.102 0.000 1.073 252 L CA 1.494 56.277 54.840 -0.095 0.000 0.745 252 L CB -0.740 41.108 42.059 -0.353 0.000 0.894 252 L HN 0.077 nan 8.230 nan 0.000 0.432 253 A N -1.012 121.875 122.820 0.111 0.000 1.940 253 A HA -0.277 4.043 4.320 -0.000 0.000 0.219 253 A C 2.320 179.939 177.584 0.059 0.000 1.176 253 A CA 1.934 54.053 52.037 0.138 0.000 0.631 253 A CB -0.715 18.491 19.000 0.344 0.000 0.814 253 A HN 0.624 nan 8.150 nan 0.000 0.446 254 E N -0.738 119.499 120.200 0.061 0.000 2.017 254 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 254 E C 2.070 178.674 176.600 0.006 0.000 0.997 254 E CA 1.759 58.181 56.400 0.036 0.000 0.804 254 E CB -0.216 29.507 29.700 0.039 0.000 0.757 254 E HN 0.554 nan 8.360 nan 0.000 0.448 255 T N 1.014 115.558 114.554 -0.016 0.000 2.665 255 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 255 T C 1.877 176.552 174.700 -0.040 0.000 1.035 255 T CA 1.620 63.699 62.100 -0.036 0.000 1.151 255 T CB -0.417 68.413 68.868 -0.063 0.000 0.862 255 T HN 0.351 nan 8.240 nan 0.000 0.438 256 A N 0.722 123.503 122.820 -0.064 0.000 1.908 256 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 256 A C 2.624 180.202 177.584 -0.010 0.000 1.181 256 A CA 2.127 54.130 52.037 -0.058 0.000 0.627 256 A CB -0.899 18.040 19.000 -0.101 0.000 0.818 256 A HN 0.433 nan 8.150 nan 0.000 0.445 257 S N -1.211 114.491 115.700 0.004 0.000 2.362 257 S HA -0.070 4.400 4.470 -0.000 0.000 0.221 257 S C 2.051 176.666 174.600 0.024 0.000 1.032 257 S CA 1.264 59.478 58.200 0.022 0.000 0.973 257 S CB -0.214 63.004 63.200 0.031 0.000 0.849 257 S HN 0.603 nan 8.310 nan 0.000 0.465 258 K N 0.983 121.393 120.400 0.017 0.000 2.160 258 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 258 K C 1.559 178.173 176.600 0.023 0.000 1.047 258 K CA 1.696 57.994 56.287 0.019 0.000 0.930 258 K CB -0.083 32.424 32.500 0.011 0.000 0.720 258 K HN 0.440 nan 8.250 nan 0.000 0.450 259 V N -3.714 116.213 119.914 0.022 0.000 3.621 259 V HA 0.350 4.470 4.120 -0.000 0.000 0.285 259 V C 0.726 176.850 176.094 0.049 0.000 1.346 259 V CA 0.351 62.670 62.300 0.032 0.000 1.104 259 V CB -0.006 31.831 31.823 0.024 0.000 0.913 259 V HN 0.325 nan 8.190 nan 0.000 0.432 260 G N -0.141 108.689 108.800 0.050 0.000 2.225 260 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.267 260 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.267 260 G C 0.548 175.507 174.900 0.100 0.000 1.024 260 G CA 0.549 45.692 45.100 0.073 0.000 0.784 260 G HN 1.312 nan 8.290 nan 0.000 0.507 261 G N -1.240 107.603 108.800 0.073 0.000 2.736 261 G HA2 0.888 4.848 3.960 -0.000 0.000 0.229 261 G HA3 0.888 4.848 3.960 -0.000 0.000 0.229 261 G C 0.201 175.124 174.900 0.038 0.000 1.380 261 G CA 0.608 45.761 45.100 0.089 0.000 1.040 261 G HN 1.366 nan 8.290 nan 0.000 0.568 262 T N -3.160 111.407 114.554 0.021 0.000 2.907 262 T HA 0.713 5.063 4.350 -0.000 0.000 0.292 262 T C -0.380 174.238 174.700 -0.135 0.000 1.043 262 T CA -0.237 61.831 62.100 -0.053 0.000 1.003 262 T CB 1.821 70.621 68.868 -0.114 0.000 1.084 262 T HN 1.115 nan 8.240 nan 0.000 0.483 263 A N 1.890 124.575 122.820 -0.226 0.000 2.301 263 A HA 0.759 5.079 4.320 -0.000 0.000 0.312 263 A C -0.699 176.571 177.584 -0.523 0.000 1.182 263 A CA -0.802 50.928 52.037 -0.511 0.000 0.826 263 A CB 0.610 19.116 19.000 -0.823 0.000 1.134 263 A HN 1.004 nan 8.150 nan 0.000 0.501 264 L N 3.265 124.110 121.223 -0.630 0.000 2.442 264 L HA 0.422 4.762 4.340 -0.000 0.000 0.261 264 L C -1.221 175.438 176.870 -0.352 0.000 1.000 264 L CA -0.461 54.108 54.840 -0.451 0.000 0.882 264 L CB 0.499 42.181 42.059 -0.628 0.000 1.207 264 L HN 0.733 nan 8.230 nan 0.000 0.443 265 W N 6.829 128.091 121.300 -0.063 0.000 2.469 265 W HA 0.424 5.084 4.660 -0.000 0.000 0.321 265 W C -0.475 176.024 176.519 -0.034 0.000 1.415 265 W CA -0.298 57.024 57.345 -0.038 0.000 1.308 265 W CB 1.037 30.487 29.460 -0.017 0.000 1.368 265 W HN 0.490 nan 8.180 nan 0.000 0.546 266 L N 3.583 124.873 121.223 0.111 0.000 2.591 266 L HA 0.260 4.600 4.340 -0.000 0.000 0.257 266 L C -1.005 175.889 176.870 0.041 0.000 0.935 266 L CA -0.400 54.480 54.840 0.066 0.000 0.873 266 L CB 1.888 43.957 42.059 0.017 0.000 1.397 266 L HN 0.101 nan 8.230 nan 0.000 0.414 267 D N 2.834 123.258 120.400 0.040 0.000 2.365 267 D HA 0.199 4.839 4.640 -0.000 0.000 0.237 267 D C 1.249 177.555 176.300 0.011 0.000 1.190 267 D CA 0.145 54.159 54.000 0.024 0.000 0.867 267 D CB 1.474 42.290 40.800 0.027 0.000 1.050 267 D HN 0.505 nan 8.370 nan 0.000 0.491 268 V N 2.119 122.033 119.914 -0.000 0.000 3.186 268 V HA -0.140 3.980 4.120 -0.000 0.000 0.270 268 V C 1.665 177.756 176.094 -0.005 0.000 1.149 268 V CA 1.931 64.227 62.300 -0.007 0.000 1.160 268 V CB -1.451 30.362 31.823 -0.017 0.000 0.758 268 V HN 0.644 nan 8.190 nan 0.000 0.516 269 T N -2.209 112.344 114.554 -0.002 0.000 3.081 269 T HA 0.496 4.846 4.350 -0.000 0.000 0.250 269 T C 0.900 175.603 174.700 0.004 0.000 1.100 269 T CA 0.445 62.543 62.100 -0.002 0.000 1.038 269 T CB -0.149 68.716 68.868 -0.005 0.000 0.962 269 T HN 0.935 nan 8.240 nan 0.000 0.516 270 A N 1.857 124.682 122.820 0.008 0.000 2.445 270 A HA 0.317 4.637 4.320 -0.000 0.000 0.242 270 A C 1.228 178.819 177.584 0.011 0.000 1.075 270 A CA -0.334 51.711 52.037 0.012 0.000 0.777 270 A CB 0.049 19.059 19.000 0.018 0.000 1.013 270 A HN 0.253 nan 8.150 nan 0.000 0.493 271 D N 1.035 121.442 120.400 0.012 0.000 2.154 271 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 271 D C 1.057 177.365 176.300 0.014 0.000 1.003 271 D CA 2.236 56.243 54.000 0.012 0.000 0.849 271 D CB -0.146 40.661 40.800 0.012 0.000 0.942 271 D HN 0.805 nan 8.370 nan 0.000 0.446 272 D N -0.207 120.203 120.400 0.017 0.000 2.324 272 D HA 0.136 4.776 4.640 -0.000 0.000 0.235 272 D C 1.500 177.815 176.300 0.024 0.000 1.095 272 D CA 0.407 54.420 54.000 0.021 0.000 0.871 272 D CB -0.231 40.584 40.800 0.025 0.000 0.906 272 D HN 0.128 nan 8.370 nan 0.000 0.522 273 A N 0.582 123.413 122.820 0.019 0.000 1.877 273 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 273 A C 2.335 179.931 177.584 0.019 0.000 1.186 273 A CA 1.444 53.491 52.037 0.017 0.000 0.620 273 A CB -0.860 18.145 19.000 0.008 0.000 0.822 273 A HN 0.188 nan 8.150 nan 0.000 0.443 274 V N 0.695 120.619 119.914 0.017 0.000 2.287 274 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 274 V C 2.229 178.341 176.094 0.030 0.000 1.053 274 V CA 2.493 64.805 62.300 0.020 0.000 1.027 274 V CB -0.928 30.905 31.823 0.015 0.000 0.646 274 V HN 0.500 nan 8.190 nan 0.000 0.447 275 D N -0.401 120.017 120.400 0.030 0.000 2.144 275 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 275 D C 2.306 178.637 176.300 0.051 0.000 0.984 275 D CA 1.149 55.171 54.000 0.037 0.000 0.834 275 D CB -0.151 40.667 40.800 0.031 0.000 0.955 275 D HN 0.407 nan 8.370 nan 0.000 0.465 276 K N -0.131 120.301 120.400 0.053 0.000 2.116 276 K HA 0.057 4.377 4.320 -0.000 0.000 0.203 276 K C 2.236 178.894 176.600 0.097 0.000 1.052 276 K CA 0.355 56.686 56.287 0.073 0.000 0.952 276 K CB 0.084 32.620 32.500 0.060 0.000 0.729 276 K HN 0.173 nan 8.250 nan 0.000 0.446 277 I N 0.974 121.586 120.570 0.069 0.000 2.226 277 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 277 I C 2.136 178.328 176.117 0.125 0.000 1.100 277 I CA 1.102 62.450 61.300 0.080 0.000 1.374 277 I CB -0.249 37.773 38.000 0.037 0.000 1.057 277 I HN 0.051 nan 8.210 nan 0.000 0.413 278 S N 0.303 116.057 115.700 0.090 0.000 2.356 278 S HA -0.259 4.211 4.470 -0.000 0.000 0.223 278 S C 1.921 176.578 174.600 0.096 0.000 1.032 278 S CA 1.653 59.903 58.200 0.083 0.000 1.005 278 S CB -0.388 62.845 63.200 0.054 0.000 0.867 278 S HN 0.517 nan 8.310 nan 0.000 0.449 279 E N 0.812 121.071 120.200 0.098 0.000 2.118 279 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 279 E C 2.070 178.744 176.600 0.124 0.000 0.992 279 E CA 1.128 57.583 56.400 0.091 0.000 0.804 279 E CB -0.211 29.541 29.700 0.087 0.000 0.741 279 E HN 0.641 nan 8.360 nan 0.000 0.458 280 H N 0.546 119.678 119.070 0.103 0.000 2.389 280 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 280 H C 2.197 177.654 175.328 0.216 0.000 1.081 280 H CA 1.390 57.549 56.048 0.185 0.000 1.345 280 H CB 0.053 29.909 29.762 0.157 0.000 1.393 280 H HN 0.250 nan 8.280 nan 0.000 0.520 281 L N 0.247 121.617 121.223 0.245 0.000 2.141 281 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 281 L C 2.957 179.885 176.870 0.096 0.000 1.094 281 L CA 0.950 55.914 54.840 0.206 0.000 0.763 281 L CB -0.349 41.810 42.059 0.167 0.000 0.908 281 L HN 0.174 nan 8.230 nan 0.000 0.437 282 R N 0.286 120.813 120.500 0.045 0.000 2.083 282 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 282 R C 1.878 178.125 176.300 -0.089 0.000 1.137 282 R CA 2.040 58.134 56.100 -0.010 0.000 0.951 282 R CB -0.052 30.244 30.300 -0.006 0.000 0.851 282 R HN 0.324 nan 8.270 nan 0.000 0.434 283 D N -1.119 119.178 120.400 -0.172 0.000 2.137 283 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 283 D C 1.672 177.643 176.300 -0.549 0.000 0.970 283 D CA 1.216 54.983 54.000 -0.388 0.000 0.837 283 D CB -0.130 40.334 40.800 -0.560 0.000 0.981 283 D HN 0.453 nan 8.370 nan 0.000 0.475 284 H N -1.211 117.674 119.070 -0.308 0.000 2.639 284 H HA 0.150 4.706 4.556 -0.000 0.000 0.267 284 H C 0.440 175.353 175.328 -0.692 0.000 0.958 284 H CA 0.582 56.331 56.048 -0.500 0.000 1.221 284 H CB 0.916 30.317 29.762 -0.602 0.000 1.446 284 H HN 0.243 nan 8.280 nan 0.000 0.512 285 H N -0.442 118.626 119.070 -0.004 0.000 2.907 285 H HA 0.174 4.730 4.556 -0.000 0.000 0.233 285 H C 0.816 176.136 175.328 -0.013 0.000 1.285 285 H CA 0.254 56.298 56.048 -0.006 0.000 0.981 285 H CB 0.574 30.355 29.762 0.031 0.000 2.255 285 H HN 0.421 nan 8.280 nan 0.000 0.601 286 G N 1.153 109.969 108.800 0.028 0.000 2.379 286 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.297 286 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.297 286 G C 1.351 176.273 174.900 0.036 0.000 1.004 286 G CA 0.914 46.023 45.100 0.016 0.000 0.921 286 G HN 0.957 nan 8.290 nan 0.000 0.511 287 G N -1.762 107.068 108.800 0.050 0.000 2.184 287 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 287 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 287 G C 0.322 175.257 174.900 0.057 0.000 0.975 287 G CA 1.182 46.312 45.100 0.049 0.000 0.642 287 G HN 1.027 nan 8.290 nan 0.000 0.536 288 K N -0.047 120.395 120.400 0.070 0.000 2.371 288 K HA 0.785 5.105 4.320 -0.000 0.000 0.251 288 K C -0.333 176.289 176.600 0.037 0.000 0.934 288 K CA -0.033 56.282 56.287 0.047 0.000 0.798 288 K CB 2.463 34.984 32.500 0.035 0.000 1.204 288 K HN 0.687 nan 8.250 nan 0.000 0.427 289 A N 1.508 124.338 122.820 0.016 0.000 2.401 289 A HA 0.407 4.727 4.320 -0.000 0.000 0.310 289 A C -0.125 177.452 177.584 -0.011 0.000 1.075 289 A CA -0.618 51.413 52.037 -0.010 0.000 0.746 289 A CB 0.972 19.969 19.000 -0.005 0.000 1.277 289 A HN 0.750 nan 8.150 nan 0.000 0.425 290 D N 0.371 120.757 120.400 -0.023 0.000 2.216 290 D HA 0.132 4.772 4.640 -0.000 0.000 0.208 290 D C -0.040 176.249 176.300 -0.019 0.000 0.960 290 D CA 1.459 55.444 54.000 -0.025 0.000 0.861 290 D CB 0.407 41.181 40.800 -0.042 0.000 0.985 290 D HN 0.506 nan 8.370 nan 0.000 0.493 291 I N 1.214 121.784 120.570 -0.001 0.000 2.499 291 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 291 I C -1.214 174.943 176.117 0.067 0.000 1.048 291 I CA -0.913 60.409 61.300 0.038 0.000 1.062 291 I CB 2.869 40.907 38.000 0.062 0.000 1.238 291 I HN -0.216 nan 8.210 nan 0.000 0.426 292 L N 8.059 129.315 121.223 0.055 0.000 2.319 292 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 292 L C -1.137 175.761 176.870 0.047 0.000 1.005 292 L CA -0.398 54.466 54.840 0.040 0.000 0.828 292 L CB 1.650 43.716 42.059 0.012 0.000 1.227 292 L HN 0.341 nan 8.230 nan 0.000 0.415 293 V N 5.163 125.099 119.914 0.036 0.000 2.328 293 V HA 0.367 4.487 4.120 -0.000 0.000 0.278 293 V C -0.049 176.027 176.094 -0.029 0.000 1.021 293 V CA -0.450 61.853 62.300 0.004 0.000 0.838 293 V CB 1.035 32.822 31.823 -0.060 0.000 0.999 293 V HN 0.795 nan 8.190 nan 0.000 0.447 294 N N 4.338 123.025 118.700 -0.022 0.000 2.521 294 N HA 0.288 5.028 4.740 -0.000 0.000 0.236 294 N C -0.438 175.054 175.510 -0.030 0.000 1.067 294 N CA -0.239 52.794 53.050 -0.028 0.000 0.939 294 N CB 0.367 38.840 38.487 -0.024 0.000 1.201 294 N HN 0.718 nan 8.380 nan 0.000 0.511 295 N N 1.176 119.852 118.700 -0.041 0.000 2.354 295 N HA 0.435 5.175 4.740 -0.000 0.000 0.287 295 N C 0.128 175.618 175.510 -0.033 0.000 1.016 295 N CA -0.697 52.330 53.050 -0.039 0.000 0.871 295 N CB 1.467 39.917 38.487 -0.062 0.000 1.299 295 N HN 0.308 nan 8.380 nan 0.000 0.482 296 A N 2.972 125.782 122.820 -0.016 0.000 1.897 296 A HA 0.433 4.753 4.320 -0.000 0.000 0.215 296 A C 1.153 178.732 177.584 -0.008 0.000 1.181 296 A CA 1.123 53.157 52.037 -0.006 0.000 0.620 296 A CB -1.406 17.605 19.000 0.018 0.000 0.821 296 A HN 1.406 nan 8.150 nan 0.000 0.443 297 G N -1.422 107.372 108.800 -0.011 0.000 2.733 297 G HA2 0.037 3.997 3.960 -0.000 0.000 0.686 297 G HA3 0.037 3.997 3.960 -0.000 0.000 0.686 297 G C -0.449 174.450 174.900 -0.001 0.000 1.373 297 G CA -0.245 44.845 45.100 -0.016 0.000 0.838 297 G HN 1.020 nan 8.290 nan 0.000 0.588 298 I N 0.712 121.279 120.570 -0.005 0.000 2.886 298 I HA 0.625 4.795 4.170 -0.000 0.000 0.311 298 I C 0.605 176.726 176.117 0.007 0.000 1.287 298 I CA -0.161 61.141 61.300 0.003 0.000 0.995 298 I CB 0.855 38.850 38.000 -0.007 0.000 1.962 298 I HN 0.769 nan 8.210 nan 0.000 0.586 312 W N 3.472 124.746 121.300 -0.042 0.000 2.338 312 W HA -0.134 4.526 4.660 -0.000 0.000 0.304 312 W C 0.102 176.578 176.519 -0.072 0.000 1.212 312 W CA 2.359 59.666 57.345 -0.063 0.000 1.264 312 W CB 0.259 29.694 29.460 -0.041 0.000 1.142 312 W HN 0.703 nan 8.180 nan 0.000 0.512 313 D N -0.212 120.287 120.400 0.165 0.000 2.194 313 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 313 D C 2.257 178.541 176.300 -0.027 0.000 0.964 313 D CA 1.399 55.456 54.000 0.095 0.000 0.846 313 D CB -0.504 40.361 40.800 0.109 0.000 0.962 313 D HN 0.123 nan 8.370 nan 0.000 0.490 314 A N 0.816 123.609 122.820 -0.046 0.000 1.898 314 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 314 A C 2.504 179.998 177.584 -0.151 0.000 1.181 314 A CA 0.932 52.927 52.037 -0.069 0.000 0.620 314 A CB -0.641 18.336 19.000 -0.039 0.000 0.819 314 A HN 0.112 nan 8.150 nan 0.000 0.442 315 V N 0.103 119.856 119.914 -0.268 0.000 2.295 315 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 315 V C 2.534 178.381 176.094 -0.411 0.000 1.049 315 V CA 1.803 63.830 62.300 -0.454 0.000 1.024 315 V CB -0.773 30.580 31.823 -0.783 0.000 0.648 315 V HN 0.559 nan 8.190 nan 0.000 0.447 316 L N -0.112 120.870 121.223 -0.402 0.000 2.012 316 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 316 L C 2.715 179.498 176.870 -0.144 0.000 1.073 316 L CA 1.767 56.445 54.840 -0.269 0.000 0.748 316 L CB -0.669 41.290 42.059 -0.167 0.000 0.891 316 L HN 0.400 nan 8.230 nan 0.000 0.431 317 A N -0.746 122.011 122.820 -0.105 0.000 1.902 317 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 317 A C 2.171 179.717 177.584 -0.065 0.000 1.181 317 A CA 1.892 53.892 52.037 -0.061 0.000 0.623 317 A CB -0.646 18.331 19.000 -0.037 0.000 0.818 317 A HN 0.264 nan 8.150 nan 0.000 0.443 318 V N 0.567 120.431 119.914 -0.084 0.000 2.446 318 V HA -0.132 3.988 4.120 -0.000 0.000 0.244 318 V C 1.787 177.841 176.094 -0.066 0.000 1.039 318 V CA 1.758 64.020 62.300 -0.063 0.000 1.045 318 V CB -0.732 31.060 31.823 -0.052 0.000 0.681 318 V HN 0.587 nan 8.190 nan 0.000 0.459 319 N N -0.737 117.901 118.700 -0.103 0.000 2.325 319 N HA 0.105 4.845 4.740 -0.000 0.000 0.182 319 N C 1.306 176.771 175.510 -0.074 0.000 1.088 319 N CA 0.598 53.600 53.050 -0.081 0.000 0.879 319 N CB 1.204 39.630 38.487 -0.102 0.000 0.983 319 N HN 0.350 nan 8.380 nan 0.000 0.471 320 L N -0.062 121.110 121.223 -0.085 0.000 2.775 320 L HA 0.280 4.620 4.340 -0.000 0.000 0.175 320 L C 1.705 178.549 176.870 -0.043 0.000 1.110 320 L CA 0.548 55.351 54.840 -0.063 0.000 0.862 320 L CB -0.549 41.466 42.059 -0.074 0.000 1.381 320 L HN -0.158 nan 8.230 nan 0.000 0.499 321 L N 0.451 121.649 121.223 -0.042 0.000 2.046 321 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 321 L C 2.633 179.490 176.870 -0.021 0.000 1.077 321 L CA 1.447 56.272 54.840 -0.024 0.000 0.747 321 L CB -0.991 41.058 42.059 -0.017 0.000 0.896 321 L HN 0.435 nan 8.230 nan 0.000 0.432 322 A N 0.635 123.439 122.820 -0.026 0.000 1.855 322 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 322 A C 0.068 177.641 177.584 -0.019 0.000 1.191 322 A CA 1.535 53.560 52.037 -0.020 0.000 0.613 322 A CB -1.843 17.144 19.000 -0.021 0.000 0.829 322 A HN 0.298 nan 8.150 nan 0.000 0.442 323 P HA -0.156 nan 4.420 nan 0.000 0.216 323 P C 1.666 178.954 177.300 -0.020 0.000 1.150 323 P CA 1.104 64.190 63.100 -0.022 0.000 0.837 323 P CB -0.158 31.526 31.700 -0.026 0.000 0.786 324 L N 0.278 121.490 121.223 -0.019 0.000 1.994 324 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 324 L C 2.837 179.700 176.870 -0.011 0.000 1.071 324 L CA 1.829 56.660 54.840 -0.016 0.000 0.745 324 L CB -1.335 40.716 42.059 -0.014 0.000 0.892 324 L HN -0.250 nan 8.230 nan 0.000 0.431 325 R N -1.092 119.402 120.500 -0.009 0.000 2.096 325 R HA -0.212 4.127 4.340 -0.000 0.000 0.240 325 R C 2.265 178.562 176.300 -0.005 0.000 1.139 325 R CA 2.064 58.161 56.100 -0.005 0.000 0.952 325 R CB -0.461 29.836 30.300 -0.004 0.000 0.854 325 R HN 0.341 nan 8.270 nan 0.000 0.436 326 L N -0.063 121.156 121.223 -0.007 0.000 1.989 326 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 326 L C 2.386 179.253 176.870 -0.005 0.000 1.071 326 L CA 2.093 56.930 54.840 -0.006 0.000 0.749 326 L CB -0.903 41.150 42.059 -0.010 0.000 0.890 326 L HN 0.243 nan 8.230 nan 0.000 0.431 327 T N -1.042 113.506 114.554 -0.009 0.000 2.684 327 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 327 T C 1.749 176.444 174.700 -0.007 0.000 1.036 327 T CA 1.659 63.753 62.100 -0.010 0.000 1.148 327 T CB -0.214 68.644 68.868 -0.016 0.000 0.863 327 T HN 0.422 nan 8.240 nan 0.000 0.436 328 E N 0.300 120.496 120.200 -0.007 0.000 2.072 328 E HA -0.057 4.293 4.350 -0.000 0.000 0.191 328 E C 2.566 179.166 176.600 -0.001 0.000 0.985 328 E CA 0.930 57.328 56.400 -0.004 0.000 0.801 328 E CB -0.340 29.358 29.700 -0.004 0.000 0.750 328 E HN 0.548 nan 8.360 nan 0.000 0.452 329 G N 1.321 110.122 108.800 0.001 0.000 2.404 329 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 329 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 329 G C 1.600 176.504 174.900 0.006 0.000 1.189 329 G CA 0.270 45.373 45.100 0.004 0.000 0.789 329 G HN 0.065 nan 8.290 nan 0.000 0.533 330 L N 0.292 121.518 121.223 0.006 0.000 2.141 330 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 330 L C 2.902 179.776 176.870 0.006 0.000 1.094 330 L CA 0.195 55.041 54.840 0.009 0.000 0.763 330 L CB -0.290 41.774 42.059 0.009 0.000 0.908 330 L HN 0.088 nan 8.230 nan 0.000 0.437 331 V N -0.013 119.902 119.914 0.002 0.000 2.323 331 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 331 V C 2.600 178.695 176.094 0.001 0.000 1.041 331 V CA 1.879 64.179 62.300 -0.000 0.000 1.025 331 V CB -0.976 30.844 31.823 -0.005 0.000 0.656 331 V HN 0.529 nan 8.190 nan 0.000 0.451 332 G N 1.341 110.142 108.800 0.002 0.000 2.448 332 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 332 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 332 G C 1.162 176.065 174.900 0.005 0.000 1.127 332 G CA 1.104 46.206 45.100 0.003 0.000 0.766 332 G HN 0.715 nan 8.290 nan 0.000 0.552 333 N N -0.749 117.955 118.700 0.007 0.000 2.280 333 N HA 0.261 5.001 4.740 -0.000 0.000 0.192 333 N C 1.450 176.966 175.510 0.010 0.000 1.109 333 N CA 0.674 53.729 53.050 0.009 0.000 0.855 333 N CB 0.050 38.544 38.487 0.012 0.000 0.974 333 N HN 0.430 nan 8.380 nan 0.000 0.482 334 G N -0.733 108.072 108.800 0.008 0.000 2.179 334 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 334 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 334 G C 1.059 175.966 174.900 0.011 0.000 0.977 334 G CA 0.501 45.605 45.100 0.007 0.000 0.641 334 G HN 0.350 nan 8.290 nan 0.000 0.533 335 S N -0.411 115.298 115.700 0.015 0.000 2.382 335 S HA 0.138 4.608 4.470 -0.000 0.000 0.228 335 S C 1.147 175.756 174.600 0.015 0.000 1.027 335 S CA 0.942 59.154 58.200 0.021 0.000 0.991 335 S CB 0.071 63.287 63.200 0.027 0.000 0.823 335 S HN 0.563 nan 8.310 nan 0.000 0.469 336 I N 1.464 122.040 120.570 0.009 0.000 2.355 336 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 336 I C 0.672 176.789 176.117 -0.000 0.000 0.999 336 I CA -0.535 60.767 61.300 0.003 0.000 1.163 336 I CB 1.465 39.466 38.000 0.000 0.000 1.316 336 I HN 0.164 nan 8.210 nan 0.000 0.454 337 G N 5.110 113.909 108.800 -0.002 0.000 3.122 337 G HA2 0.297 4.257 3.960 -0.000 0.000 0.180 337 G HA3 0.297 4.257 3.960 -0.000 0.000 0.180 337 G C -0.425 174.471 174.900 -0.008 0.000 1.279 337 G CA -0.447 44.651 45.100 -0.004 0.000 0.987 337 G HN 0.497 nan 8.290 nan 0.000 0.589 338 E N 0.271 120.466 120.200 -0.008 0.000 2.608 338 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 338 E C 1.103 177.694 176.600 -0.015 0.000 0.951 338 E CA 1.566 57.960 56.400 -0.010 0.000 0.945 338 E CB 0.543 30.238 29.700 -0.009 0.000 0.916 338 E HN 1.126 nan 8.360 nan 0.000 0.477 339 G N 2.764 111.553 108.800 -0.018 0.000 2.157 339 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.248 339 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.248 339 G C 0.562 175.444 174.900 -0.029 0.000 0.979 339 G CA -0.083 45.001 45.100 -0.025 0.000 0.650 339 G HN 0.777 nan 8.290 nan 0.000 0.529 340 G N -0.538 108.248 108.800 -0.024 0.000 2.539 340 G HA2 0.578 4.538 3.960 -0.000 0.000 0.258 340 G HA3 0.578 4.538 3.960 -0.000 0.000 0.258 340 G C -0.137 174.747 174.900 -0.028 0.000 1.202 340 G CA -0.469 44.617 45.100 -0.023 0.000 0.851 340 G HN 0.363 nan 8.290 nan 0.000 0.556 341 R N 0.367 120.852 120.500 -0.025 0.000 2.514 341 R HA 0.396 4.736 4.340 -0.000 0.000 0.296 341 R C -1.384 174.909 176.300 -0.011 0.000 1.012 341 R CA -0.672 55.413 56.100 -0.025 0.000 0.897 341 R CB 1.790 32.076 30.300 -0.024 0.000 1.184 341 R HN 0.303 nan 8.270 nan 0.000 0.440 342 V N 5.087 124.984 119.914 -0.030 0.000 2.459 342 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 342 V C 0.068 176.132 176.094 -0.051 0.000 1.029 342 V CA -0.687 61.597 62.300 -0.027 0.000 0.874 342 V CB 1.939 33.740 31.823 -0.037 0.000 0.985 342 V HN 0.574 nan 8.190 nan 0.000 0.438 343 I N 3.629 124.189 120.570 -0.016 0.000 2.478 343 I HA 0.617 4.787 4.170 -0.000 0.000 0.287 343 I C 0.572 176.681 176.117 -0.012 0.000 1.042 343 I CA -0.241 61.045 61.300 -0.023 0.000 1.067 343 I CB 2.058 40.109 38.000 0.084 0.000 1.233 343 I HN 0.702 nan 8.210 nan 0.000 0.431 344 G N 5.346 114.123 108.800 -0.039 0.000 2.412 344 G HA2 0.676 4.636 3.960 -0.000 0.000 0.318 344 G HA3 0.676 4.636 3.960 -0.000 0.000 0.318 344 G C -1.461 173.441 174.900 0.003 0.000 1.146 344 G CA -0.399 44.687 45.100 -0.023 0.000 0.882 344 G HN 0.432 nan 8.290 nan 0.000 0.501 345 L N 1.882 123.108 121.223 0.005 0.000 2.446 345 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 345 L C 0.389 177.268 176.870 0.014 0.000 0.975 345 L CA -0.644 54.206 54.840 0.018 0.000 0.848 345 L CB 1.654 43.718 42.059 0.009 0.000 1.225 345 L HN 0.618 nan 8.230 nan 0.000 0.410 346 S N 3.163 118.877 115.700 0.023 0.000 2.592 346 S HA 0.904 5.374 4.470 -0.000 0.000 0.271 346 S C 0.117 174.738 174.600 0.034 0.000 1.326 346 S CA -0.143 58.075 58.200 0.030 0.000 1.024 346 S CB 1.516 64.736 63.200 0.033 0.000 0.921 346 S HN 0.957 nan 8.310 nan 0.000 0.527 358 T N 1.761 116.405 114.554 0.149 0.000 2.699 358 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 358 T C 1.357 176.083 174.700 0.043 0.000 1.036 358 T CA 2.530 64.739 62.100 0.182 0.000 1.147 358 T CB -0.001 69.042 68.868 0.292 0.000 0.862 358 T HN 0.277 nan 8.240 nan 0.000 0.446 359 N N 0.493 119.096 118.700 -0.162 0.000 2.023 359 N HA -0.146 4.594 4.740 -0.000 0.000 0.200 359 N C 1.586 176.776 175.510 -0.534 0.000 1.048 359 N CA 2.448 55.056 53.050 -0.737 0.000 0.872 359 N CB -0.975 37.145 38.487 -0.612 0.000 1.070 359 N HN 0.572 nan 8.380 nan 0.000 0.441 360 Y N 0.317 120.484 120.300 -0.222 0.000 2.293 360 Y HA 0.074 4.624 4.550 -0.000 0.000 0.291 360 Y C 2.336 178.176 175.900 -0.100 0.000 1.137 360 Y CA 0.922 58.933 58.100 -0.148 0.000 1.202 360 Y CB -0.469 37.937 38.460 -0.091 0.000 0.990 360 Y HN 0.123 nan 8.280 nan 0.000 0.537 361 A N -0.479 122.389 122.820 0.080 0.000 1.930 361 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 361 A C 2.242 179.839 177.584 0.023 0.000 1.175 361 A CA 2.128 54.199 52.037 0.057 0.000 0.627 361 A CB -1.105 17.935 19.000 0.066 0.000 0.815 361 A HN 0.391 nan 8.150 nan 0.000 0.443 362 T N 0.216 114.762 114.554 -0.015 0.000 2.777 362 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 362 T C 2.198 176.868 174.700 -0.051 0.000 1.040 362 T CA 2.159 64.252 62.100 -0.011 0.000 1.141 362 T CB -0.663 68.214 68.868 0.016 0.000 0.868 362 T HN 0.818 nan 8.240 nan 0.000 0.444 363 T N 0.515 114.995 114.554 -0.123 0.000 2.904 363 T HA 0.016 4.365 4.350 -0.000 0.000 0.267 363 T C 1.890 176.567 174.700 -0.039 0.000 1.059 363 T CA 1.067 63.103 62.100 -0.107 0.000 1.137 363 T CB -0.167 68.588 68.868 -0.188 0.000 0.879 363 T HN 0.350 nan 8.240 nan 0.000 0.467 364 K N 1.496 121.892 120.400 -0.006 0.000 2.026 364 K HA 0.067 4.387 4.320 -0.000 0.000 0.208 364 K C 2.656 179.261 176.600 0.009 0.000 1.048 364 K CA 1.177 57.474 56.287 0.016 0.000 0.929 364 K CB -0.676 31.847 32.500 0.038 0.000 0.713 364 K HN 0.378 nan 8.250 nan 0.000 0.439 365 A N 0.790 123.616 122.820 0.011 0.000 1.940 365 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 365 A C 2.348 179.934 177.584 0.004 0.000 1.176 365 A CA 1.940 53.984 52.037 0.012 0.000 0.631 365 A CB -1.266 17.747 19.000 0.022 0.000 0.814 365 A HN 0.584 nan 8.150 nan 0.000 0.446 366 G N -0.753 108.045 108.800 -0.003 0.000 2.440 366 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 366 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 366 G C 1.634 176.526 174.900 -0.013 0.000 1.154 366 G CA 1.207 46.302 45.100 -0.008 0.000 0.767 366 G HN 0.506 nan 8.290 nan 0.000 0.552 367 M N -0.121 119.469 119.600 -0.016 0.000 2.175 367 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 367 M C 2.408 178.695 176.300 -0.021 0.000 1.063 367 M CA 1.256 56.544 55.300 -0.019 0.000 1.119 367 M CB -0.173 32.419 32.600 -0.015 0.000 1.377 367 M HN 0.253 nan 8.290 nan 0.000 0.415 368 I N -0.084 120.478 120.570 -0.013 0.000 2.252 368 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 368 I C 2.525 178.633 176.117 -0.015 0.000 1.102 368 I CA 1.298 62.590 61.300 -0.014 0.000 1.385 368 I CB -0.882 37.116 38.000 -0.003 0.000 1.064 368 I HN 0.426 nan 8.210 nan 0.000 0.414 369 G N 1.274 110.068 108.800 -0.009 0.000 2.476 369 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 369 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 369 G C 1.679 176.570 174.900 -0.014 0.000 1.164 369 G CA 0.905 46.001 45.100 -0.007 0.000 0.768 369 G HN 0.328 nan 8.290 nan 0.000 0.560 370 I N 0.746 121.305 120.570 -0.019 0.000 2.163 370 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 370 I C 2.991 179.088 176.117 -0.032 0.000 1.085 370 I CA 1.608 62.894 61.300 -0.023 0.000 1.347 370 I CB -0.570 37.414 38.000 -0.027 0.000 1.044 370 I HN 0.098 nan 8.210 nan 0.000 0.408 371 T N -0.019 114.510 114.554 -0.042 0.000 2.833 371 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 371 T C 1.858 176.529 174.700 -0.050 0.000 1.054 371 T CA 1.320 63.383 62.100 -0.061 0.000 1.135 371 T CB -0.185 68.635 68.868 -0.079 0.000 0.869 371 T HN 0.441 nan 8.240 nan 0.000 0.466 372 Q N 0.191 119.971 119.800 -0.033 0.000 2.163 372 Q HA 0.231 4.571 4.340 -0.000 0.000 0.198 372 Q C 2.724 178.714 176.000 -0.018 0.000 0.954 372 Q CA 0.933 56.722 55.803 -0.023 0.000 0.851 372 Q CB -0.151 28.579 28.738 -0.013 0.000 0.928 372 Q HN 0.516 nan 8.270 nan 0.000 0.459 373 A N 0.884 123.694 122.820 -0.016 0.000 1.897 373 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 373 A C 1.945 179.520 177.584 -0.015 0.000 1.181 373 A CA 0.970 53.000 52.037 -0.012 0.000 0.620 373 A CB -0.423 18.572 19.000 -0.010 0.000 0.821 373 A HN 0.258 nan 8.150 nan 0.000 0.443 374 L N -1.007 120.204 121.223 -0.020 0.000 2.418 374 L HA 0.015 4.355 4.340 -0.000 0.000 0.218 374 L C 2.918 179.775 176.870 -0.023 0.000 1.125 374 L CA 0.514 55.341 54.840 -0.021 0.000 0.835 374 L CB -0.529 41.516 42.059 -0.024 0.000 0.953 374 L HN 0.423 nan 8.230 nan 0.000 0.454 375 A N 1.443 124.246 122.820 -0.027 0.000 1.884 375 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 375 A C -0.057 177.517 177.584 -0.017 0.000 1.197 375 A CA 1.912 53.933 52.037 -0.027 0.000 0.637 375 A CB -1.767 17.216 19.000 -0.029 0.000 0.827 375 A HN 0.267 nan 8.150 nan 0.000 0.450 376 P HA -0.084 nan 4.420 nan 0.000 0.214 376 P C 1.835 179.131 177.300 -0.007 0.000 1.162 376 P CA 1.742 64.837 63.100 -0.007 0.000 0.879 376 P CB -0.519 31.178 31.700 -0.005 0.000 0.786 377 G N -0.037 108.758 108.800 -0.008 0.000 2.476 377 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 377 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 377 G C 1.543 176.437 174.900 -0.009 0.000 1.164 377 G CA 0.765 45.861 45.100 -0.008 0.000 0.768 377 G HN 0.212 nan 8.290 nan 0.000 0.560 378 L N 0.536 121.751 121.223 -0.013 0.000 2.093 378 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 378 L C 3.402 180.265 176.870 -0.013 0.000 1.085 378 L CA 0.829 55.660 54.840 -0.015 0.000 0.755 378 L CB -0.418 41.628 42.059 -0.022 0.000 0.904 378 L HN 0.304 nan 8.230 nan 0.000 0.435 379 A N 0.257 123.070 122.820 -0.012 0.000 1.978 379 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 379 A C 2.449 180.031 177.584 -0.005 0.000 1.170 379 A CA 1.675 53.707 52.037 -0.008 0.000 0.636 379 A CB -0.587 18.411 19.000 -0.004 0.000 0.810 379 A HN 0.407 nan 8.150 nan 0.000 0.448 380 A N -0.817 122.000 122.820 -0.005 0.000 2.121 380 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 380 A C 1.855 179.436 177.584 -0.004 0.000 1.154 380 A CA 1.331 53.366 52.037 -0.003 0.000 0.679 380 A CB -0.205 18.794 19.000 -0.003 0.000 0.795 380 A HN 0.494 nan 8.150 nan 0.000 0.458 381 K N -1.272 119.124 120.400 -0.006 0.000 2.372 381 K HA 0.260 4.580 4.320 -0.000 0.000 0.200 381 K C 0.671 177.266 176.600 -0.007 0.000 1.022 381 K CA 0.403 56.687 56.287 -0.006 0.000 1.125 381 K CB 0.294 32.790 32.500 -0.006 0.000 0.855 381 K HN 0.561 nan 8.250 nan 0.000 0.524 382 G N 2.318 111.114 108.800 -0.007 0.000 2.212 382 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.255 382 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.255 382 G C -0.172 174.721 174.900 -0.013 0.000 1.062 382 G CA -0.049 45.045 45.100 -0.008 0.000 0.815 382 G HN 0.257 nan 8.290 nan 0.000 0.497 383 I N 0.423 120.984 120.570 -0.015 0.000 2.686 383 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 383 I C 0.410 176.511 176.117 -0.027 0.000 1.114 383 I CA -0.590 60.698 61.300 -0.021 0.000 1.038 383 I CB 2.539 40.527 38.000 -0.019 0.000 1.238 383 I HN 0.272 nan 8.210 nan 0.000 0.420 384 T N 3.567 118.099 114.554 -0.036 0.000 2.918 384 T HA 0.773 5.123 4.350 -0.000 0.000 0.286 384 T C -0.709 173.944 174.700 -0.079 0.000 1.026 384 T CA -0.690 61.379 62.100 -0.052 0.000 1.031 384 T CB 2.231 71.068 68.868 -0.052 0.000 1.046 384 T HN 0.514 nan 8.240 nan 0.000 0.479 385 I N 2.101 122.607 120.570 -0.106 0.000 2.533 385 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 385 I C -1.339 174.636 176.117 -0.237 0.000 1.056 385 I CA -0.705 60.512 61.300 -0.138 0.000 1.057 385 I CB 1.441 39.385 38.000 -0.094 0.000 1.240 385 I HN 0.725 nan 8.210 nan 0.000 0.423 386 N N 5.105 123.592 118.700 -0.356 0.000 2.774 386 N HA 0.847 5.587 4.740 -0.000 0.000 0.264 386 N C -1.596 173.642 175.510 -0.454 0.000 1.415 386 N CA -0.696 51.975 53.050 -0.633 0.000 0.815 386 N CB 2.263 39.832 38.487 -1.530 0.000 1.514 386 N HN 0.625 nan 8.380 nan 0.000 0.523 387 A N 0.157 122.733 122.820 -0.407 0.000 2.572 387 A HA 0.703 5.023 4.320 -0.000 0.000 0.295 387 A C -1.391 176.218 177.584 0.042 0.000 1.072 387 A CA -0.488 51.473 52.037 -0.127 0.000 0.691 387 A CB 1.389 20.343 19.000 -0.076 0.000 1.291 387 A HN 0.268 nan 8.150 nan 0.000 0.404 388 V N 0.592 120.573 119.914 0.111 0.000 2.604 388 V HA 0.726 4.846 4.120 -0.000 0.000 0.305 388 V C 0.172 176.322 176.094 0.093 0.000 1.043 388 V CA -0.049 62.350 62.300 0.165 0.000 0.888 388 V CB 1.776 33.727 31.823 0.214 0.000 0.995 388 V HN 1.487 nan 8.190 nan 0.000 0.429 389 A N 7.018 129.889 122.820 0.085 0.000 2.508 389 A HA 0.792 5.112 4.320 -0.000 0.000 0.336 389 A C -2.635 174.988 177.584 0.065 0.000 1.360 389 A CA -1.531 50.542 52.037 0.061 0.000 0.841 389 A CB 0.491 19.520 19.000 0.048 0.000 1.136 389 A HN 0.560 nan 8.150 nan 0.000 0.489 390 P HA 0.336 nan 4.420 nan 0.000 0.277 390 P C 0.717 178.050 177.300 0.055 0.000 1.240 390 P CA 0.231 63.363 63.100 0.054 0.000 0.798 390 P CB 1.549 33.268 31.700 0.032 0.000 0.979 391 G N 1.480 110.321 108.800 0.068 0.000 3.229 391 G HA2 0.154 4.114 3.960 -0.000 0.000 0.165 391 G HA3 0.154 4.114 3.960 -0.000 0.000 0.165 391 G C -0.914 174.075 174.900 0.148 0.000 1.753 391 G CA -0.212 44.947 45.100 0.098 0.000 1.054 391 G HN 0.443 nan 8.290 nan 0.000 0.544 392 F N 1.799 121.741 119.950 -0.014 0.000 2.413 392 F HA 0.557 5.084 4.527 -0.000 0.000 0.359 392 F C -0.366 175.406 175.800 -0.048 0.000 1.122 392 F CA -1.695 56.288 58.000 -0.028 0.000 1.160 392 F CB 0.219 39.207 39.000 -0.019 0.000 1.146 392 F HN -0.065 nan 8.300 nan 0.000 0.514 393 I N 5.144 125.480 120.570 -0.390 0.000 2.722 393 I HA 0.439 4.609 4.170 -0.000 0.000 0.295 393 I C -1.125 174.732 176.117 -0.433 0.000 1.161 393 I CA -0.774 60.290 61.300 -0.393 0.000 1.032 393 I CB 1.906 39.790 38.000 -0.195 0.000 1.244 393 I HN 0.446 nan 8.210 nan 0.000 0.421 419 G N -0.274 108.290 108.800 -0.394 0.000 2.432 419 G HA2 0.519 4.479 3.960 -0.000 0.000 0.257 419 G HA3 0.519 4.479 3.960 -0.000 0.000 0.257 419 G C -0.453 174.131 174.900 -0.527 0.000 1.238 419 G CA 0.110 44.720 45.100 -0.817 0.000 0.838 419 G HN 0.399 nan 8.290 nan 0.000 0.547 420 Q N 1.242 120.737 119.800 -0.509 0.000 2.416 420 Q HA 0.265 4.605 4.340 -0.000 0.000 0.279 420 Q C -1.855 174.043 176.000 -0.171 0.000 1.101 420 Q CA -1.749 53.892 55.803 -0.270 0.000 0.830 420 Q CB 2.552 31.173 28.738 -0.194 0.000 1.402 420 Q HN 0.181 nan 8.270 nan 0.000 0.445 421 P HA -0.171 nan 4.420 nan 0.000 0.215 421 P C 1.482 178.763 177.300 -0.031 0.000 1.153 421 P CA 0.965 64.022 63.100 -0.072 0.000 0.853 421 P CB 0.231 31.891 31.700 -0.066 0.000 0.788 422 V N 0.646 120.550 119.914 -0.016 0.000 2.380 422 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 422 V C 1.646 177.778 176.094 0.064 0.000 1.063 422 V CA 2.366 64.684 62.300 0.031 0.000 1.055 422 V CB -1.118 30.734 31.823 0.049 0.000 0.657 422 V HN 0.091 nan 8.190 nan 0.000 0.455 423 D N -0.376 120.051 120.400 0.047 0.000 2.149 423 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 423 D C 2.160 178.534 176.300 0.123 0.000 0.990 423 D CA 1.742 55.804 54.000 0.103 0.000 0.839 423 D CB -0.312 40.519 40.800 0.051 0.000 0.948 423 D HN 0.479 nan 8.370 nan 0.000 0.460 424 V N 1.631 121.585 119.914 0.066 0.000 2.323 424 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 424 V C 2.632 178.781 176.094 0.091 0.000 1.041 424 V CA 1.592 63.938 62.300 0.077 0.000 1.025 424 V CB -0.770 31.070 31.823 0.027 0.000 0.656 424 V HN 0.167 nan 8.190 nan 0.000 0.451 425 A N -0.362 122.496 122.820 0.063 0.000 1.940 425 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 425 A C 2.183 179.853 177.584 0.143 0.000 1.176 425 A CA 1.744 53.822 52.037 0.069 0.000 0.631 425 A CB -0.387 18.633 19.000 0.034 0.000 0.814 425 A HN 0.548 nan 8.150 nan 0.000 0.446 426 E N -0.148 120.146 120.200 0.158 0.000 2.106 426 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 426 E C 2.379 179.058 176.600 0.131 0.000 0.984 426 E CA 1.136 57.651 56.400 0.192 0.000 0.806 426 E CB -0.552 29.315 29.700 0.279 0.000 0.750 426 E HN 0.596 nan 8.360 nan 0.000 0.458 427 A N 1.434 124.340 122.820 0.144 0.000 1.877 427 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 427 A C 2.338 179.889 177.584 -0.056 0.000 1.186 427 A CA 1.166 53.192 52.037 -0.017 0.000 0.620 427 A CB -0.712 18.387 19.000 0.165 0.000 0.822 427 A HN 0.152 nan 8.150 nan 0.000 0.443 428 I N -0.117 120.540 120.570 0.145 0.000 2.163 428 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 428 I C 2.950 179.227 176.117 0.267 0.000 1.085 428 I CA 1.206 62.667 61.300 0.269 0.000 1.347 428 I CB -0.332 37.810 38.000 0.236 0.000 1.044 428 I HN 0.354 nan 8.210 nan 0.000 0.408 429 A N 0.144 123.129 122.820 0.275 0.000 1.972 429 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 429 A C 2.286 179.815 177.584 -0.093 0.000 1.169 429 A CA 1.646 53.743 52.037 0.099 0.000 0.635 429 A CB -1.000 18.078 19.000 0.130 0.000 0.810 429 A HN 0.602 nan 8.150 nan 0.000 0.446 430 Y N -0.287 119.809 120.300 -0.341 0.000 2.145 430 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 430 Y C 1.779 177.469 175.900 -0.350 0.000 1.145 430 Y CA 1.819 59.590 58.100 -0.548 0.000 1.148 430 Y CB -0.729 36.877 38.460 -1.424 0.000 0.981 430 Y HN 0.217 nan 8.280 nan 0.000 0.507 431 F N 0.773 120.342 119.950 -0.635 0.000 2.216 431 F HA -0.082 4.445 4.527 0.000 0.000 0.300 431 F C 2.645 178.252 175.800 -0.322 0.000 1.085 431 F CA 1.135 58.794 58.000 -0.568 0.000 1.326 431 F CB -1.282 37.552 39.000 -0.276 0.000 1.027 431 F HN 0.229 nan 8.300 nan 0.000 0.497 432 A N -1.008 121.778 122.820 -0.057 0.000 2.119 432 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 432 A C 1.533 179.010 177.584 -0.178 0.000 1.153 432 A CA 0.585 52.547 52.037 -0.126 0.000 0.692 432 A CB -0.774 18.048 19.000 -0.297 0.000 0.799 432 A HN 0.176 nan 8.150 nan 0.000 0.458 433 S N 0.841 116.439 115.700 -0.170 0.000 2.546 433 S HA 0.153 4.623 4.470 -0.000 0.000 0.290 433 S C -0.853 173.686 174.600 -0.101 0.000 1.290 433 S CA -0.766 57.360 58.200 -0.124 0.000 1.069 433 S CB 0.677 63.853 63.200 -0.040 0.000 0.846 433 S HN 0.335 nan 8.310 nan 0.000 0.495 434 P HA -0.076 nan 4.420 nan 0.000 0.221 434 P C 0.669 177.926 177.300 -0.071 0.000 1.145 434 P CA 1.118 64.160 63.100 -0.097 0.000 0.795 434 P CB -0.049 31.579 31.700 -0.120 0.000 0.775 435 A N -0.600 122.185 122.820 -0.058 0.000 2.251 435 A HA 0.145 4.465 4.320 -0.000 0.000 0.209 435 A C 1.781 179.414 177.584 0.083 0.000 1.187 435 A CA 0.355 52.401 52.037 0.016 0.000 0.823 435 A CB -0.635 18.386 19.000 0.036 0.000 0.846 435 A HN 0.093 nan 8.150 nan 0.000 0.486 436 S N 1.583 117.297 115.700 0.023 0.000 2.622 436 S HA -0.021 4.449 4.470 -0.000 0.000 0.236 436 S C 1.503 176.110 174.600 0.012 0.000 0.956 436 S CA 0.044 58.245 58.200 0.002 0.000 0.971 436 S CB -0.417 62.692 63.200 -0.153 0.000 0.782 436 S HN 0.880 nan 8.310 nan 0.000 0.468 437 N N 2.208 120.918 118.700 0.016 0.000 2.364 437 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 437 N C 1.094 176.623 175.510 0.031 0.000 1.022 437 N CA 1.090 54.147 53.050 0.012 0.000 0.883 437 N CB -0.156 38.334 38.487 0.005 0.000 0.965 437 N HN 0.414 nan 8.380 nan 0.000 0.438 438 A N 0.329 123.183 122.820 0.057 0.000 2.345 438 A HA 0.350 4.670 4.320 -0.000 0.000 0.225 438 A C 0.276 177.921 177.584 0.101 0.000 1.243 438 A CA -0.341 51.739 52.037 0.072 0.000 0.875 438 A CB 0.272 19.321 19.000 0.082 0.000 0.929 438 A HN 0.100 nan 8.150 nan 0.000 0.502 439 V N 0.623 120.599 119.914 0.103 0.000 2.293 439 V HA 0.536 4.655 4.120 -0.000 0.000 0.275 439 V C 0.018 176.153 176.094 0.068 0.000 1.021 439 V CA -0.082 62.309 62.300 0.152 0.000 0.815 439 V CB 0.803 32.774 31.823 0.246 0.000 1.025 439 V HN 0.321 nan 8.190 nan 0.000 0.448 440 T N 2.662 117.241 114.554 0.042 0.000 2.864 440 T HA 0.621 4.971 4.350 -0.000 0.000 0.299 440 T C 0.807 175.488 174.700 -0.032 0.000 1.166 440 T CA 0.635 62.716 62.100 -0.032 0.000 1.007 440 T CB 1.632 70.485 68.868 -0.026 0.000 1.219 440 T HN 1.384 nan 8.240 nan 0.000 0.506 441 G N 2.297 111.051 108.800 -0.077 0.000 2.166 441 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 441 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 441 G C 0.090 174.954 174.900 -0.059 0.000 0.986 441 G CA 0.282 45.347 45.100 -0.059 0.000 0.683 441 G HN 0.790 nan 8.290 nan 0.000 0.527 442 N N -0.569 118.070 118.700 -0.102 0.000 2.509 442 N HA 0.491 5.231 4.740 -0.000 0.000 0.287 442 N C -0.479 174.961 175.510 -0.118 0.000 1.121 442 N CA -0.128 52.888 53.050 -0.057 0.000 0.977 442 N CB 2.020 40.557 38.487 0.084 0.000 1.167 442 N HN 0.038 nan 8.380 nan 0.000 0.476 443 V N 3.474 123.369 119.914 -0.032 0.000 2.483 443 V HA 0.449 4.569 4.120 -0.000 0.000 0.297 443 V C 0.137 176.247 176.094 0.026 0.000 1.027 443 V CA -0.782 61.513 62.300 -0.008 0.000 0.855 443 V CB 1.349 33.165 31.823 -0.011 0.000 0.995 443 V HN 0.526 nan 8.190 nan 0.000 0.424 444 I N 1.727 122.355 120.570 0.097 0.000 2.603 444 I HA 0.737 4.907 4.170 -0.000 0.000 0.300 444 I C -0.268 175.898 176.117 0.082 0.000 1.017 444 I CA -1.004 60.321 61.300 0.042 0.000 1.098 444 I CB 2.047 40.034 38.000 -0.021 0.000 1.279 444 I HN 0.432 nan 8.210 nan 0.000 0.437 445 R N 3.687 124.220 120.500 0.055 0.000 2.349 445 R HA 0.642 4.982 4.340 -0.000 0.000 0.299 445 R C -1.126 175.239 176.300 0.108 0.000 1.027 445 R CA -0.848 55.297 56.100 0.076 0.000 0.958 445 R CB 2.155 32.489 30.300 0.057 0.000 1.047 445 R HN 0.516 nan 8.270 nan 0.000 0.468 446 V N 3.340 123.324 119.914 0.117 0.000 2.334 446 V HA 0.225 4.345 4.120 -0.000 0.000 0.281 446 V C 0.291 176.464 176.094 0.130 0.000 1.016 446 V CA -0.411 61.974 62.300 0.142 0.000 0.832 446 V CB 0.750 32.661 31.823 0.146 0.000 0.999 446 V HN 1.091 nan 8.190 nan 0.000 0.439 447 C N 0.000 119.409 119.300 0.182 0.000 2.653 447 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 447 C CA 0.000 59.143 59.018 0.208 0.000 1.963 447 C CB 0.000 27.811 27.740 0.118 0.000 2.134 447 C HN 0.000 nan 8.230 nan 0.000 0.568