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 2quh_1_B DATA FIRST_RESID 92 DATA SEQUENCE TSSAKGIDYD KLIVRFGSSK IDKELINRIE RATGQRPHHF LRRGIFFSHR DATA SEQUENCE DMNQVLDAYE NKKPFYLYTG RGPSSEAMHV GHLIPFIFTK WLQDVFNVPL DATA SEQUENCE VIQMTDDEKY LWKDLTLDQA YSYAVENAKD IIACGFDINK TFIFSDLDYM DATA SEQUENCE GMSSGFYKNV VKIQKHVTFN QVKGIFGFTD SDCIGKISFP AIQAAPSFSN DATA SEQUENCE SFPQIFRDRT DIQCLIPCAI DQDPYFRMTR DVAPRIGYPK PALLHSTFFP DATA SEQUENCE ALQGAQTKMS ASDPNSSIFL TDTAKQIKTK VNKHAFSGGR DTIEEHRQFG DATA SEQUENCE GNCDVDVSFM YLTFFLEDDD KLEQIRKDYT SGAMLTGELK KALIEVLQPL DATA SEQUENCE IAEHQARRKE VTDEIVKEFM TPRKLSFDFQ H 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 92 T HA 0.000 nan 4.350 nan 0.000 0.228 92 T C 0.000 174.629 174.700 -0.119 0.000 1.109 92 T CA 0.000 62.021 62.100 -0.131 0.000 1.349 92 T CB 0.000 nan 68.868 nan 0.000 0.612 93 S N 0.257 115.892 115.700 -0.109 0.000 2.787 93 S HA 0.537 5.007 4.470 -0.000 0.000 0.255 93 S C 0.694 175.230 174.600 -0.107 0.000 1.051 93 S CA 0.949 59.086 58.200 -0.104 0.000 1.124 93 S CB 0.349 63.498 63.200 -0.084 0.000 1.104 93 S HN 0.828 nan 8.310 nan 0.000 0.623 94 S N 1.292 116.929 115.700 -0.105 0.000 2.549 94 S HA 0.607 5.077 4.470 -0.000 0.000 0.279 94 S C 1.399 175.932 174.600 -0.111 0.000 1.321 94 S CA 0.092 58.236 58.200 -0.095 0.000 1.054 94 S CB 0.917 64.065 63.200 -0.086 0.000 0.899 94 S HN 0.625 nan 8.310 nan 0.000 0.497 95 A N 4.508 127.264 122.820 -0.108 0.000 2.067 95 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 95 A C 1.672 179.204 177.584 -0.085 0.000 1.158 95 A CA 1.358 53.306 52.037 -0.148 0.000 0.661 95 A CB -0.390 18.539 19.000 -0.117 0.000 0.801 95 A HN 0.925 nan 8.150 nan 0.000 0.452 96 K N -0.724 119.651 120.400 -0.041 0.000 2.500 96 K HA 0.442 4.762 4.320 -0.000 0.000 0.206 96 K C 0.768 177.362 176.600 -0.010 0.000 1.034 96 K CA 0.282 56.568 56.287 -0.002 0.000 1.179 96 K CB -0.540 31.970 32.500 0.017 0.000 0.884 96 K HN 0.680 nan 8.250 nan 0.000 0.493 97 G N 1.513 110.284 108.800 -0.047 0.000 2.615 97 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 97 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 97 G C -0.522 174.296 174.900 -0.137 0.000 1.339 97 G CA -0.580 44.491 45.100 -0.049 0.000 0.884 97 G HN 0.201 nan 8.290 nan 0.000 0.559 98 I N 0.866 121.279 120.570 -0.262 0.000 2.612 98 I HA 0.242 4.412 4.170 -0.000 0.000 0.295 98 I C 0.094 175.845 176.117 -0.609 0.000 1.011 98 I CA -0.308 60.677 61.300 -0.525 0.000 1.326 98 I CB 1.278 38.767 38.000 -0.852 0.000 1.427 98 I HN 0.488 nan 8.210 nan 0.000 0.537 99 D N 4.387 124.517 120.400 -0.449 0.000 2.453 99 D HA 0.075 4.715 4.640 -0.000 0.000 0.223 99 D C 0.471 176.561 176.300 -0.350 0.000 1.183 99 D CA -0.041 53.787 54.000 -0.287 0.000 0.933 99 D CB 0.302 41.002 40.800 -0.167 0.000 1.038 99 D HN 0.313 nan 8.370 nan 0.000 0.513 100 Y N 1.093 121.257 120.300 -0.227 0.000 2.571 100 Y HA -0.070 4.480 4.550 -0.000 0.000 0.294 100 Y C 1.964 177.826 175.900 -0.063 0.000 1.141 100 Y CA 0.320 58.250 58.100 -0.283 0.000 1.308 100 Y CB 0.331 38.312 38.460 -0.800 0.000 1.002 100 Y HN 0.329 nan 8.280 nan 0.000 0.551 101 D N 0.081 120.520 120.400 0.064 0.000 2.194 101 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 101 D C 2.288 178.614 176.300 0.044 0.000 0.964 101 D CA 1.324 55.374 54.000 0.083 0.000 0.846 101 D CB 0.138 40.970 40.800 0.053 0.000 0.962 101 D HN 0.443 nan 8.370 nan 0.000 0.490 102 K N 0.780 121.172 120.400 -0.013 0.000 2.167 102 K HA -0.002 4.318 4.320 -0.000 0.000 0.203 102 K C 1.972 178.549 176.600 -0.038 0.000 1.052 102 K CA 0.367 56.638 56.287 -0.027 0.000 0.956 102 K CB -0.885 31.580 32.500 -0.058 0.000 0.735 102 K HN 0.015 nan 8.250 nan 0.000 0.451 103 L N 0.883 122.050 121.223 -0.093 0.000 2.017 103 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 103 L C 2.383 179.193 176.870 -0.100 0.000 1.073 103 L CA 1.544 56.262 54.840 -0.203 0.000 0.745 103 L CB -0.303 41.586 42.059 -0.284 0.000 0.894 103 L HN 0.435 nan 8.230 nan 0.000 0.432 104 I N -1.642 118.967 120.570 0.065 0.000 2.194 104 I HA -0.346 3.824 4.170 -0.000 0.000 0.246 104 I C 2.311 178.500 176.117 0.121 0.000 1.093 104 I CA 1.386 62.761 61.300 0.125 0.000 1.355 104 I CB -0.442 37.653 38.000 0.158 0.000 1.046 104 I HN 0.120 nan 8.210 nan 0.000 0.413 105 V N 1.605 121.571 119.914 0.086 0.000 2.237 105 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 105 V C 2.406 178.563 176.094 0.105 0.000 1.046 105 V CA 2.362 64.709 62.300 0.077 0.000 1.007 105 V CB -0.835 31.017 31.823 0.048 0.000 0.638 105 V HN 0.550 nan 8.190 nan 0.000 0.445 106 R N -0.971 119.597 120.500 0.114 0.000 2.357 106 R HA -0.046 4.294 4.340 -0.000 0.000 0.202 106 R C 1.537 178.033 176.300 0.327 0.000 1.047 106 R CA 1.350 57.546 56.100 0.160 0.000 1.034 106 R CB -0.344 30.033 30.300 0.129 0.000 0.875 106 R HN 0.397 nan 8.270 nan 0.000 0.473 107 F N -0.115 119.827 119.950 -0.013 0.000 2.727 107 F HA 0.383 4.909 4.527 -0.000 0.000 0.302 107 F C 1.729 177.519 175.800 -0.016 0.000 1.107 107 F CA 0.009 57.995 58.000 -0.025 0.000 1.277 107 F CB 0.917 39.898 39.000 -0.032 0.000 1.079 107 F HN 0.291 nan 8.300 nan 0.000 0.594 108 G N 0.469 109.361 108.800 0.153 0.000 2.162 108 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 108 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 108 G C 0.591 175.526 174.900 0.059 0.000 0.976 108 G CA 0.542 45.684 45.100 0.069 0.000 0.655 108 G HN 0.570 nan 8.290 nan 0.000 0.533 109 S N -0.455 115.308 115.700 0.105 0.000 2.652 109 S HA 0.786 5.256 4.470 -0.000 0.000 0.267 109 S C 0.417 175.002 174.600 -0.024 0.000 1.201 109 S CA 0.539 58.768 58.200 0.048 0.000 0.996 109 S CB 1.657 64.949 63.200 0.153 0.000 1.054 109 S HN 1.789 nan 8.310 nan 0.000 0.561 110 S N -0.816 114.793 115.700 -0.152 0.000 2.513 110 S HA 0.531 5.001 4.470 -0.000 0.000 0.299 110 S C -0.782 173.785 174.600 -0.055 0.000 1.087 110 S CA -1.036 57.086 58.200 -0.131 0.000 1.012 110 S CB 1.212 64.283 63.200 -0.215 0.000 1.044 110 S HN 0.872 nan 8.310 nan 0.000 0.485 111 K N 1.639 122.080 120.400 0.068 0.000 2.326 111 K HA 0.314 4.634 4.320 -0.000 0.000 0.275 111 K C -0.655 176.065 176.600 0.200 0.000 1.018 111 K CA -0.497 55.866 56.287 0.126 0.000 0.962 111 K CB 0.284 32.858 32.500 0.125 0.000 0.953 111 K HN 0.717 nan 8.250 nan 0.000 0.475 112 I N 5.486 126.157 120.570 0.168 0.000 2.311 112 I HA -0.013 4.157 4.170 -0.000 0.000 0.297 112 I C -0.037 176.129 176.117 0.083 0.000 1.131 112 I CA -0.421 60.946 61.300 0.112 0.000 1.289 112 I CB 0.040 38.083 38.000 0.072 0.000 1.446 112 I HN 0.718 nan 8.210 nan 0.000 0.524 113 D N 4.851 125.294 120.400 0.071 0.000 2.466 113 D HA 0.133 4.773 4.640 -0.000 0.000 0.262 113 D C 1.016 177.343 176.300 0.044 0.000 1.177 113 D CA -0.740 53.297 54.000 0.061 0.000 1.035 113 D CB 0.879 41.716 40.800 0.063 0.000 1.105 113 D HN 0.072 nan 8.370 nan 0.000 0.551 114 K N -0.136 120.289 120.400 0.042 0.000 2.044 114 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 114 K C 1.747 178.369 176.600 0.036 0.000 1.049 114 K CA 1.930 58.240 56.287 0.038 0.000 0.927 114 K CB -0.347 32.173 32.500 0.035 0.000 0.713 114 K HN 0.613 nan 8.250 nan 0.000 0.443 115 E N -0.320 119.900 120.200 0.034 0.000 2.033 115 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 115 E C 1.920 178.536 176.600 0.027 0.000 1.011 115 E CA 1.688 58.107 56.400 0.032 0.000 0.815 115 E CB -0.283 29.437 29.700 0.033 0.000 0.755 115 E HN 0.271 nan 8.360 nan 0.000 0.451 116 L N 1.118 122.349 121.223 0.013 0.000 2.042 116 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 116 L C 2.152 179.029 176.870 0.012 0.000 1.076 116 L CA 1.551 56.381 54.840 -0.017 0.000 0.749 116 L CB -0.356 41.649 42.059 -0.090 0.000 0.893 116 L HN 0.257 nan 8.230 nan 0.000 0.432 117 I N -0.351 120.238 120.570 0.030 0.000 2.394 117 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 117 I C 1.934 178.091 176.117 0.067 0.000 1.136 117 I CA 0.887 62.222 61.300 0.059 0.000 1.425 117 I CB -0.536 37.497 38.000 0.055 0.000 1.079 117 I HN 0.372 nan 8.210 nan 0.000 0.425 118 N N 0.819 119.550 118.700 0.053 0.000 2.216 118 N HA -0.149 4.591 4.740 -0.000 0.000 0.183 118 N C 1.894 177.440 175.510 0.061 0.000 1.017 118 N CA 0.922 54.004 53.050 0.054 0.000 0.861 118 N CB -0.350 38.163 38.487 0.043 0.000 0.986 118 N HN 0.339 nan 8.380 nan 0.000 0.428 119 R N 1.115 121.649 120.500 0.057 0.000 2.073 119 R HA 0.019 4.359 4.340 -0.000 0.000 0.234 119 R C 2.169 178.525 176.300 0.094 0.000 1.134 119 R CA 0.958 57.097 56.100 0.065 0.000 0.952 119 R CB -0.271 30.058 30.300 0.049 0.000 0.850 119 R HN 0.138 nan 8.270 nan 0.000 0.433 120 I N 0.719 121.351 120.570 0.104 0.000 2.264 120 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 120 I C 2.522 178.712 176.117 0.121 0.000 1.111 120 I CA 1.661 63.052 61.300 0.151 0.000 1.382 120 I CB -0.382 37.734 38.000 0.194 0.000 1.060 120 I HN 0.443 nan 8.210 nan 0.000 0.418 121 E N 1.199 121.464 120.200 0.108 0.000 2.047 121 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 121 E C 2.402 179.046 176.600 0.073 0.000 0.987 121 E CA 0.996 57.450 56.400 0.090 0.000 0.799 121 E CB 0.035 29.784 29.700 0.081 0.000 0.752 121 E HN 0.310 nan 8.360 nan 0.000 0.449 122 R N -0.082 120.463 120.500 0.075 0.000 2.083 122 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 122 R C 2.418 178.773 176.300 0.092 0.000 1.137 122 R CA 1.301 57.444 56.100 0.072 0.000 0.951 122 R CB -0.354 29.986 30.300 0.066 0.000 0.851 122 R HN 0.232 nan 8.270 nan 0.000 0.434 123 A N -0.275 122.623 122.820 0.131 0.000 1.978 123 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 123 A C 1.848 179.575 177.584 0.238 0.000 1.170 123 A CA 2.001 54.167 52.037 0.215 0.000 0.636 123 A CB -0.300 18.890 19.000 0.317 0.000 0.810 123 A HN 0.376 nan 8.150 nan 0.000 0.448 124 T N -2.371 112.242 114.554 0.099 0.000 2.990 124 T HA 0.396 4.746 4.350 -0.000 0.000 0.249 124 T C 1.452 176.152 174.700 0.001 0.000 1.039 124 T CA 0.811 62.908 62.100 -0.005 0.000 1.036 124 T CB 0.410 69.112 68.868 -0.276 0.000 0.994 124 T HN 1.413 nan 8.240 nan 0.000 0.489 125 G N 1.644 110.461 108.800 0.028 0.000 2.168 125 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.263 125 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.263 125 G C -0.026 174.887 174.900 0.023 0.000 0.977 125 G CA -0.010 45.106 45.100 0.027 0.000 0.659 125 G HN 0.443 nan 8.290 nan 0.000 0.533 126 Q N -0.554 119.259 119.800 0.022 0.000 2.301 126 Q HA 0.458 4.798 4.340 -0.000 0.000 0.267 126 Q C 0.426 176.496 176.000 0.117 0.000 1.035 126 Q CA -0.892 54.947 55.803 0.060 0.000 0.856 126 Q CB 1.414 30.180 28.738 0.045 0.000 1.337 126 Q HN 0.458 nan 8.270 nan 0.000 0.450 127 R N 2.149 122.723 120.500 0.123 0.000 2.442 127 R HA 0.223 4.563 4.340 -0.000 0.000 0.291 127 R C -2.113 174.281 176.300 0.157 0.000 1.069 127 R CA -1.219 54.943 56.100 0.104 0.000 1.022 127 R CB 0.162 30.496 30.300 0.057 0.000 0.976 127 R HN 0.255 nan 8.270 nan 0.000 0.443 128 P HA -0.079 nan 4.420 nan 0.000 0.266 128 P C -0.656 176.512 177.300 -0.220 0.000 1.195 128 P CA 0.136 63.273 63.100 0.060 0.000 0.768 128 P CB 0.351 32.093 31.700 0.071 0.000 0.838 129 H N 3.978 122.494 119.070 -0.923 0.000 2.998 129 H HA -0.083 4.473 4.556 -0.000 0.000 0.353 129 H C 1.645 176.682 175.328 -0.485 0.000 1.099 129 H CA 0.607 56.031 56.048 -1.041 0.000 1.393 129 H CB 0.719 29.427 29.762 -1.756 0.000 1.343 129 H HN 0.637 nan 8.280 nan 0.000 0.609 130 H N 3.588 122.240 119.070 -0.696 0.000 2.489 130 H HA -0.133 4.423 4.556 -0.000 0.000 0.293 130 H C 1.477 176.816 175.328 0.019 0.000 1.066 130 H CA 0.690 56.555 56.048 -0.304 0.000 1.305 130 H CB -0.304 29.254 29.762 -0.340 0.000 1.386 130 H HN 0.368 nan 8.280 nan 0.000 0.551 131 F N 1.317 121.164 119.950 -0.172 0.000 2.171 131 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 131 F C 2.599 178.285 175.800 -0.190 0.000 1.090 131 F CA 0.373 58.245 58.000 -0.213 0.000 1.293 131 F CB -0.703 38.115 39.000 -0.304 0.000 1.013 131 F HN 0.138 nan 8.300 nan 0.000 0.486 132 L N -0.738 120.513 121.223 0.047 0.000 2.068 132 L HA -0.109 4.231 4.340 -0.000 0.000 0.204 132 L C 2.601 179.484 176.870 0.022 0.000 1.076 132 L CA 0.869 55.726 54.840 0.028 0.000 0.753 132 L CB -0.477 41.618 42.059 0.060 0.000 0.910 132 L HN -0.052 nan 8.230 nan 0.000 0.439 133 R N 0.265 120.771 120.500 0.010 0.000 2.091 133 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 133 R C 1.949 178.251 176.300 0.004 0.000 1.136 133 R CA 1.270 57.375 56.100 0.009 0.000 0.959 133 R CB -0.334 29.967 30.300 0.001 0.000 0.856 133 R HN 0.346 nan 8.270 nan 0.000 0.437 134 R N -0.251 120.246 120.500 -0.005 0.000 2.334 134 R HA 0.099 4.439 4.340 -0.000 0.000 0.220 134 R C 0.821 177.064 176.300 -0.095 0.000 0.917 134 R CA 0.459 56.533 56.100 -0.045 0.000 1.073 134 R CB 0.635 30.898 30.300 -0.061 0.000 1.056 134 R HN 0.447 nan 8.270 nan 0.000 0.506 135 G N 1.065 109.824 108.800 -0.069 0.000 2.162 135 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 135 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 135 G C 0.776 175.559 174.900 -0.195 0.000 0.976 135 G CA 0.218 45.269 45.100 -0.083 0.000 0.655 135 G HN 0.339 nan 8.290 nan 0.000 0.533 136 I N -1.099 119.298 120.570 -0.289 0.000 2.252 136 I HA 0.080 4.250 4.170 -0.000 0.000 0.245 136 I C 1.030 176.881 176.117 -0.443 0.000 1.102 136 I CA 1.005 61.987 61.300 -0.530 0.000 1.385 136 I CB -0.073 37.440 38.000 -0.812 0.000 1.064 136 I HN 0.168 nan 8.210 nan 0.000 0.414 137 F N 1.474 121.230 119.950 -0.324 0.000 2.309 137 F HA 0.133 4.660 4.527 -0.000 0.000 0.366 137 F C 0.791 176.527 175.800 -0.107 0.000 1.104 137 F CA -0.732 57.095 58.000 -0.288 0.000 1.179 137 F CB 0.588 39.224 39.000 -0.608 0.000 1.437 137 F HN -0.032 nan 8.300 nan 0.000 0.528 138 F N 0.247 120.085 119.950 -0.187 0.000 2.714 138 F HA 0.358 4.885 4.527 -0.000 0.000 0.294 138 F C 0.594 176.410 175.800 0.027 0.000 1.120 138 F CA -0.288 57.653 58.000 -0.098 0.000 1.398 138 F CB -0.465 38.414 39.000 -0.201 0.000 1.120 138 F HN 0.199 nan 8.300 nan 0.000 0.589 139 S N 0.322 115.523 115.700 -0.830 0.000 2.632 139 S HA 0.673 5.143 4.470 -0.000 0.000 0.289 139 S C -1.195 173.298 174.600 -0.178 0.000 1.115 139 S CA -0.313 57.609 58.200 -0.463 0.000 0.889 139 S CB 1.170 63.971 63.200 -0.664 0.000 1.116 139 S HN 0.665 nan 8.310 nan 0.000 0.486 140 H N 0.827 119.762 119.070 -0.225 0.000 2.918 140 H HA 0.578 5.134 4.556 -0.000 0.000 0.303 140 H C -1.709 173.511 175.328 -0.179 0.000 1.380 140 H CA -1.005 54.875 56.048 -0.281 0.000 1.134 140 H CB 0.902 30.570 29.762 -0.158 0.000 1.842 140 H HN 0.696 nan 8.280 nan 0.000 0.533 141 R N 0.715 121.041 120.500 -0.290 0.000 2.512 141 R HA 0.172 4.512 4.340 -0.000 0.000 0.291 141 R C -1.267 175.012 176.300 -0.034 0.000 1.097 141 R CA -0.591 55.371 56.100 -0.229 0.000 0.940 141 R CB 1.014 31.243 30.300 -0.118 0.000 1.198 141 R HN 0.754 nan 8.270 nan 0.000 0.429 142 D N 1.816 122.227 120.400 0.020 0.000 2.837 142 D HA -0.202 4.438 4.640 -0.000 0.000 0.230 142 D C 0.826 177.158 176.300 0.054 0.000 1.152 142 D CA 1.009 55.039 54.000 0.050 0.000 0.736 142 D CB -0.405 40.387 40.800 -0.014 0.000 1.084 142 D HN 0.475 nan 8.370 nan 0.000 0.429 143 M N 1.006 120.732 119.600 0.209 0.000 2.374 143 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 143 M C 1.732 177.961 176.300 -0.118 0.000 1.067 143 M CA 1.563 56.819 55.300 -0.074 0.000 1.103 143 M CB -0.154 32.280 32.600 -0.278 0.000 1.402 143 M HN 0.283 nan 8.290 nan 0.000 0.444 144 N N -0.346 118.338 118.700 -0.027 0.000 2.069 144 N HA -0.242 4.498 4.740 -0.000 0.000 0.191 144 N C 1.552 177.038 175.510 -0.039 0.000 1.031 144 N CA 1.800 54.838 53.050 -0.020 0.000 0.852 144 N CB -0.861 37.648 38.487 0.037 0.000 1.018 144 N HN 0.579 nan 8.380 nan 0.000 0.423 145 Q N 0.685 120.461 119.800 -0.041 0.000 2.050 145 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 145 Q C 2.497 178.427 176.000 -0.117 0.000 0.980 145 Q CA 1.438 57.208 55.803 -0.055 0.000 0.840 145 Q CB -0.190 28.521 28.738 -0.045 0.000 0.898 145 Q HN 0.214 nan 8.270 nan 0.000 0.424 146 V N 1.542 121.323 119.914 -0.222 0.000 2.282 146 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 146 V C 2.293 178.191 176.094 -0.326 0.000 1.057 146 V CA 1.733 63.769 62.300 -0.439 0.000 1.032 146 V CB -0.629 30.780 31.823 -0.690 0.000 0.645 146 V HN 0.347 nan 8.190 nan 0.000 0.447 147 L N -0.403 120.704 121.223 -0.194 0.000 2.046 147 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 147 L C 2.462 179.366 176.870 0.057 0.000 1.077 147 L CA 1.607 56.433 54.840 -0.023 0.000 0.747 147 L CB -0.802 41.261 42.059 0.006 0.000 0.896 147 L HN 0.387 nan 8.230 nan 0.000 0.432 148 D N 0.399 120.807 120.400 0.013 0.000 2.087 148 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 148 D C 2.213 178.541 176.300 0.048 0.000 0.993 148 D CA 1.706 55.724 54.000 0.031 0.000 0.828 148 D CB -0.173 40.636 40.800 0.014 0.000 0.968 148 D HN 0.313 nan 8.370 nan 0.000 0.448 149 A N 0.494 123.335 122.820 0.036 0.000 1.903 149 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 149 A C 2.253 179.925 177.584 0.147 0.000 1.191 149 A CA 1.823 53.906 52.037 0.077 0.000 0.638 149 A CB -1.255 17.787 19.000 0.069 0.000 0.823 149 A HN 0.363 nan 8.150 nan 0.000 0.451 150 Y N 0.827 121.168 120.300 0.068 0.000 2.181 150 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 150 Y C 2.232 178.210 175.900 0.131 0.000 1.146 150 Y CA 2.135 60.338 58.100 0.171 0.000 1.164 150 Y CB -0.290 38.303 38.460 0.222 0.000 0.982 150 Y HN 0.517 nan 8.280 nan 0.000 0.515 151 E N -0.537 119.690 120.200 0.044 0.000 2.208 151 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 151 E C 0.845 177.404 176.600 -0.069 0.000 0.988 151 E CA 0.835 57.213 56.400 -0.037 0.000 0.828 151 E CB -0.114 29.618 29.700 0.054 0.000 0.763 151 E HN 0.461 nan 8.360 nan 0.000 0.478 152 N N 1.046 119.728 118.700 -0.030 0.000 2.346 152 N HA 0.010 4.750 4.740 -0.000 0.000 0.225 152 N C -0.397 175.091 175.510 -0.036 0.000 1.144 152 N CA 0.162 53.198 53.050 -0.024 0.000 0.837 152 N CB 0.672 39.162 38.487 0.005 0.000 1.069 152 N HN -0.028 nan 8.380 nan 0.000 0.487 153 K N -1.586 118.759 120.400 -0.092 0.000 3.048 153 K HA -0.220 4.100 4.320 -0.000 0.000 0.274 153 K C 0.447 177.039 176.600 -0.014 0.000 1.098 153 K CA 0.997 57.230 56.287 -0.091 0.000 0.807 153 K CB -2.562 29.891 32.500 -0.079 0.000 1.217 153 K HN 0.560 nan 8.250 nan 0.000 0.477 154 K N 1.660 122.083 120.400 0.039 0.000 2.185 154 K HA 0.393 4.713 4.320 -0.000 0.000 0.271 154 K C -1.952 174.749 176.600 0.167 0.000 1.013 154 K CA -1.147 55.195 56.287 0.091 0.000 0.943 154 K CB 0.051 32.608 32.500 0.095 0.000 0.998 154 K HN 0.028 nan 8.250 nan 0.000 0.468 155 P HA 0.673 nan 4.420 nan 0.000 0.279 155 P C -0.939 176.589 177.300 0.380 0.000 1.252 155 P CA -0.335 62.913 63.100 0.247 0.000 0.811 155 P CB 0.452 32.301 31.700 0.248 0.000 1.035 156 F N -0.222 119.867 119.950 0.231 0.000 2.719 156 F HA 0.676 5.203 4.527 -0.000 0.000 0.309 156 F C -2.088 173.876 175.800 0.273 0.000 1.138 156 F CA -1.369 56.736 58.000 0.175 0.000 0.943 156 F CB 0.884 39.896 39.000 0.019 0.000 1.304 156 F HN 0.439 nan 8.300 nan 0.000 0.445 157 Y N 1.036 121.459 120.300 0.205 0.000 2.605 157 Y HA 0.850 5.400 4.550 -0.000 0.000 0.343 157 Y C -1.908 174.095 175.900 0.171 0.000 1.036 157 Y CA -2.347 55.800 58.100 0.079 0.000 1.065 157 Y CB 1.226 39.797 38.460 0.184 0.000 1.288 157 Y HN 0.811 nan 8.280 nan 0.000 0.481 158 L N 3.019 124.262 121.223 0.034 0.000 2.325 158 L HA 0.450 4.790 4.340 -0.000 0.000 0.279 158 L C -1.294 175.577 176.870 0.003 0.000 1.054 158 L CA -0.978 53.834 54.840 -0.045 0.000 0.804 158 L CB 1.415 43.472 42.059 -0.003 0.000 1.200 158 L HN 0.767 nan 8.230 nan 0.000 0.436 159 Y N 2.161 122.333 120.300 -0.215 0.000 2.362 159 Y HA 0.573 5.123 4.550 -0.000 0.000 0.326 159 Y C -0.822 174.988 175.900 -0.150 0.000 1.083 159 Y CA -0.792 57.229 58.100 -0.133 0.000 1.073 159 Y CB 1.866 40.249 38.460 -0.128 0.000 1.211 159 Y HN 0.561 nan 8.280 nan 0.000 0.433 160 T N 3.217 117.586 114.554 -0.307 0.000 2.812 160 T HA 0.909 5.259 4.350 -0.000 0.000 0.294 160 T C -0.840 173.742 174.700 -0.197 0.000 1.159 160 T CA -0.093 61.731 62.100 -0.459 0.000 1.008 160 T CB 1.654 70.312 68.868 -0.349 0.000 1.289 160 T HN 1.183 nan 8.240 nan 0.000 0.514 161 G N 0.585 109.297 108.800 -0.148 0.000 2.721 161 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 161 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 161 G C -1.905 173.074 174.900 0.131 0.000 1.383 161 G CA -0.794 44.333 45.100 0.044 0.000 0.788 161 G HN 0.707 nan 8.290 nan 0.000 0.500 162 R N -0.773 119.808 120.500 0.135 0.000 2.515 162 R HA 0.578 4.918 4.340 -0.000 0.000 0.278 162 R C -0.219 176.099 176.300 0.030 0.000 1.107 162 R CA -0.108 56.072 56.100 0.134 0.000 0.945 162 R CB 1.260 31.672 30.300 0.186 0.000 1.219 162 R HN 1.020 nan 8.270 nan 0.000 0.434 163 G N 4.989 113.789 108.800 -0.001 0.000 2.444 163 G HA2 0.283 4.243 3.960 -0.000 0.000 0.303 163 G HA3 0.283 4.243 3.960 -0.000 0.000 0.303 163 G C -2.082 172.794 174.900 -0.039 0.000 1.032 163 G CA -1.184 43.905 45.100 -0.019 0.000 1.137 163 G HN 0.567 nan 8.290 nan 0.000 0.430 164 P HA 0.084 nan 4.420 nan 0.000 0.230 164 P C 0.860 178.225 177.300 0.107 0.000 1.791 164 P CA -0.225 62.889 63.100 0.024 0.000 1.020 164 P CB 0.324 32.058 31.700 0.057 0.000 1.977 165 S N -0.431 115.284 115.700 0.025 0.000 2.603 165 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 165 S C 0.724 175.267 174.600 -0.096 0.000 0.967 165 S CA -0.215 58.021 58.200 0.060 0.000 0.920 165 S CB -0.289 62.931 63.200 0.033 0.000 0.773 165 S HN 0.446 nan 8.310 nan 0.000 0.529 166 S N -0.261 115.239 115.700 -0.334 0.000 2.633 166 S HA 0.228 4.698 4.470 -0.000 0.000 0.271 166 S C -0.603 173.618 174.600 -0.633 0.000 1.112 166 S CA -0.646 57.085 58.200 -0.782 0.000 0.828 166 S CB 0.467 63.437 63.200 -0.383 0.000 1.086 166 S HN 0.166 nan 8.310 nan 0.000 0.461 167 E N 0.752 120.557 120.200 -0.658 0.000 2.427 167 E HA 0.142 4.492 4.350 -0.000 0.000 0.196 167 E C 0.665 177.150 176.600 -0.193 0.000 1.028 167 E CA 0.632 56.859 56.400 -0.288 0.000 0.864 167 E CB 0.112 29.707 29.700 -0.176 0.000 0.813 167 E HN 0.580 nan 8.360 nan 0.000 0.514 168 A N 1.729 124.416 122.820 -0.221 0.000 2.343 168 A HA 0.373 4.693 4.320 -0.000 0.000 0.305 168 A C -0.112 177.526 177.584 0.089 0.000 1.308 168 A CA -0.051 51.901 52.037 -0.142 0.000 0.949 168 A CB -0.094 18.687 19.000 -0.365 0.000 1.148 168 A HN 0.053 nan 8.150 nan 0.000 0.545 169 M N 3.248 122.942 119.600 0.156 0.000 2.578 169 M HA 0.432 4.912 4.480 -0.000 0.000 0.321 169 M C 0.167 176.651 176.300 0.306 0.000 1.182 169 M CA -0.556 54.890 55.300 0.244 0.000 0.965 169 M CB 1.806 34.452 32.600 0.076 0.000 1.694 169 M HN 0.926 nan 8.290 nan 0.000 0.461 170 H N -0.888 118.301 119.070 0.199 0.000 2.754 170 H HA 0.427 4.983 4.556 -0.000 0.000 0.352 170 H C 0.302 175.469 175.328 -0.269 0.000 1.213 170 H CA -1.090 54.845 56.048 -0.188 0.000 1.244 170 H CB 1.003 30.451 29.762 -0.523 0.000 1.843 170 H HN 0.395 nan 8.280 nan 0.000 0.587 171 V N 1.038 120.875 119.914 -0.127 0.000 2.469 171 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 171 V C 2.589 178.392 176.094 -0.485 0.000 1.064 171 V CA 2.403 64.516 62.300 -0.313 0.000 1.066 171 V CB -1.080 30.488 31.823 -0.425 0.000 0.667 171 V HN 1.011 nan 8.190 nan 0.000 0.461 172 G N -1.244 107.319 108.800 -0.396 0.000 2.422 172 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 172 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 172 G C 1.272 176.130 174.900 -0.069 0.000 1.146 172 G CA 0.962 45.795 45.100 -0.445 0.000 0.769 172 G HN 0.647 nan 8.290 nan 0.000 0.547 173 H N -0.030 119.075 119.070 0.059 0.000 2.456 173 H HA 0.073 4.629 4.556 -0.000 0.000 0.296 173 H C 2.498 177.948 175.328 0.203 0.000 1.079 173 H CA 0.555 56.626 56.048 0.038 0.000 1.322 173 H CB 0.008 29.687 29.762 -0.140 0.000 1.388 173 H HN 0.248 nan 8.280 nan 0.000 0.538 174 L N 0.208 121.572 121.223 0.235 0.000 2.201 174 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 174 L C 1.838 178.944 176.870 0.393 0.000 1.105 174 L CA 0.081 55.118 54.840 0.329 0.000 0.775 174 L CB -0.254 41.934 42.059 0.215 0.000 0.913 174 L HN 0.319 nan 8.230 nan 0.000 0.440 175 I N 0.831 121.541 120.570 0.233 0.000 2.065 175 I HA -0.245 3.925 4.170 -0.000 0.000 0.236 175 I C 0.144 176.518 176.117 0.429 0.000 1.028 175 I CA 2.075 63.533 61.300 0.264 0.000 1.299 175 I CB -2.869 35.131 38.000 0.000 0.000 1.015 175 I HN 0.212 nan 8.210 nan 0.000 0.396 176 P HA -0.208 nan 4.420 nan 0.000 0.216 176 P C 2.066 179.506 177.300 0.234 0.000 1.153 176 P CA 1.864 65.147 63.100 0.305 0.000 0.858 176 P CB -0.285 31.431 31.700 0.026 0.000 0.789 177 F N -0.250 119.919 119.950 0.365 0.000 2.186 177 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 177 F C 2.673 178.704 175.800 0.386 0.000 1.090 177 F CA 0.990 59.239 58.000 0.414 0.000 1.307 177 F CB -1.277 37.946 39.000 0.372 0.000 1.019 177 F HN -0.223 nan 8.300 nan 0.000 0.489 178 I N -1.246 119.638 120.570 0.523 0.000 2.208 178 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 178 I C 2.366 178.645 176.117 0.270 0.000 1.097 178 I CA 1.323 62.846 61.300 0.370 0.000 1.363 178 I CB -0.445 37.831 38.000 0.460 0.000 1.051 178 I HN 0.067 nan 8.210 nan 0.000 0.413 179 F N 1.461 121.516 119.950 0.176 0.000 2.163 179 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 179 F C 2.580 178.404 175.800 0.041 0.000 1.094 179 F CA 1.661 59.614 58.000 -0.079 0.000 1.290 179 F CB -0.690 38.252 39.000 -0.096 0.000 1.017 179 F HN -0.072 nan 8.300 nan 0.000 0.483 180 T N 0.589 115.226 114.554 0.138 0.000 2.788 180 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 180 T C 2.142 176.995 174.700 0.254 0.000 1.044 180 T CA 1.375 63.546 62.100 0.118 0.000 1.139 180 T CB -0.259 68.742 68.868 0.223 0.000 0.867 180 T HN 0.064 nan 8.240 nan 0.000 0.454 181 K N -0.148 120.434 120.400 0.303 0.000 2.148 181 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 181 K C 2.080 178.705 176.600 0.042 0.000 1.050 181 K CA 0.980 57.307 56.287 0.067 0.000 0.942 181 K CB -0.361 31.897 32.500 -0.403 0.000 0.724 181 K HN 0.515 nan 8.250 nan 0.000 0.446 182 W N 1.666 122.863 121.300 -0.172 0.000 2.379 182 W HA -0.101 4.559 4.660 -0.000 0.000 0.307 182 W C 1.770 178.147 176.519 -0.237 0.000 1.200 182 W CA 1.159 58.381 57.345 -0.205 0.000 1.297 182 W CB -0.440 28.847 29.460 -0.288 0.000 1.140 182 W HN -0.046 nan 8.180 nan 0.000 0.507 183 L N 0.507 121.533 121.223 -0.328 0.000 2.043 183 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 183 L C 2.727 179.489 176.870 -0.181 0.000 1.075 183 L CA 2.156 56.784 54.840 -0.353 0.000 0.752 183 L CB -1.119 40.800 42.059 -0.233 0.000 0.891 183 L HN 0.193 nan 8.230 nan 0.000 0.432 184 Q N -0.113 119.638 119.800 -0.083 0.000 2.119 184 Q HA -0.216 4.124 4.340 -0.000 0.000 0.201 184 Q C 1.588 177.544 176.000 -0.073 0.000 0.972 184 Q CA 1.746 57.542 55.803 -0.011 0.000 0.847 184 Q CB 0.125 28.936 28.738 0.122 0.000 0.903 184 Q HN 0.443 nan 8.270 nan 0.000 0.433 185 D N -0.186 120.116 120.400 -0.164 0.000 2.103 185 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 185 D C 2.013 178.122 176.300 -0.319 0.000 0.978 185 D CA 0.931 54.823 54.000 -0.181 0.000 0.829 185 D CB -0.236 40.471 40.800 -0.156 0.000 0.981 185 D HN 0.107 nan 8.370 nan 0.000 0.464 186 V N 0.508 120.035 119.914 -0.645 0.000 2.233 186 V HA -0.247 3.872 4.120 -0.000 0.000 0.247 186 V C 2.063 177.745 176.094 -0.687 0.000 1.050 186 V CA 1.562 63.353 62.300 -0.850 0.000 1.010 186 V CB -0.439 30.414 31.823 -1.615 0.000 0.637 186 V HN 0.092 nan 8.190 nan 0.000 0.444 187 F N -0.436 119.252 119.950 -0.438 0.000 2.512 187 F HA 0.187 4.714 4.527 -0.000 0.000 0.296 187 F C 1.356 177.069 175.800 -0.146 0.000 1.110 187 F CA 0.673 58.435 58.000 -0.397 0.000 1.446 187 F CB -0.575 38.179 39.000 -0.410 0.000 1.092 187 F HN 0.311 nan 8.300 nan 0.000 0.554 188 N N 0.511 119.227 118.700 0.027 0.000 2.708 188 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 188 N C -0.894 174.758 175.510 0.236 0.000 1.046 188 N CA 0.691 53.808 53.050 0.111 0.000 0.715 188 N CB -1.077 37.464 38.487 0.089 0.000 0.895 188 N HN 0.179 nan 8.380 nan 0.000 0.545 189 V N -1.878 118.086 119.914 0.083 0.000 3.046 189 V HA 0.908 5.028 4.120 -0.000 0.000 0.316 189 V C -2.167 173.765 176.094 -0.270 0.000 1.104 189 V CA -1.865 60.414 62.300 -0.036 0.000 1.006 189 V CB 2.169 33.697 31.823 -0.491 0.000 1.058 189 V HN 0.151 nan 8.190 nan 0.000 0.440 190 P HA 0.359 nan 4.420 nan 0.000 0.274 190 P C -1.129 176.109 177.300 -0.103 0.000 1.231 190 P CA -0.115 62.676 63.100 -0.515 0.000 0.790 190 P CB 1.621 33.026 31.700 -0.493 0.000 0.951 191 L N 3.259 124.433 121.223 -0.082 0.000 2.381 191 L HA 0.545 4.885 4.340 -0.000 0.000 0.268 191 L C -1.273 175.599 176.870 0.005 0.000 0.997 191 L CA -0.800 54.040 54.840 0.000 0.000 0.818 191 L CB 2.263 44.288 42.059 -0.056 0.000 1.310 191 L HN 0.088 nan 8.230 nan 0.000 0.416 192 V N 6.365 126.325 119.914 0.077 0.000 2.407 192 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 192 V C -0.336 175.863 176.094 0.174 0.000 1.018 192 V CA -0.268 62.064 62.300 0.053 0.000 0.842 192 V CB 1.611 33.365 31.823 -0.114 0.000 0.996 192 V HN 0.618 nan 8.190 nan 0.000 0.426 193 I N 5.157 125.753 120.570 0.043 0.000 2.382 193 I HA 0.395 4.565 4.170 -0.000 0.000 0.285 193 I C 0.057 175.951 176.117 -0.370 0.000 1.007 193 I CA -0.321 60.951 61.300 -0.045 0.000 1.142 193 I CB 1.617 39.545 38.000 -0.119 0.000 1.289 193 I HN 0.596 nan 8.210 nan 0.000 0.453 194 Q N 7.079 126.682 119.800 -0.327 0.000 2.288 194 Q HA 0.338 4.678 4.340 -0.000 0.000 0.258 194 Q C -0.991 174.760 176.000 -0.415 0.000 0.957 194 Q CA -0.491 54.800 55.803 -0.853 0.000 0.919 194 Q CB 0.977 29.621 28.738 -0.156 0.000 1.185 194 Q HN 0.480 nan 8.270 nan 0.000 0.408 195 M N 4.127 123.430 119.600 -0.494 0.000 2.103 195 M HA 0.146 4.626 4.480 -0.000 0.000 0.350 195 M C -0.139 176.132 176.300 -0.048 0.000 1.100 195 M CA -0.404 54.781 55.300 -0.191 0.000 1.042 195 M CB 0.458 32.946 32.600 -0.188 0.000 1.368 195 M HN 0.624 nan 8.290 nan 0.000 0.404 196 T N -1.677 112.909 114.554 0.053 0.000 4.647 196 T HA 0.055 4.405 4.350 -0.000 0.000 0.224 196 T C 0.758 175.539 174.700 0.135 0.000 0.928 196 T CA -0.508 61.694 62.100 0.170 0.000 0.969 196 T CB -0.880 68.132 68.868 0.239 0.000 1.425 196 T HN 0.524 nan 8.240 nan 0.000 1.045 197 D N 1.590 122.072 120.400 0.138 0.000 2.218 197 D HA -0.194 4.446 4.640 -0.000 0.000 0.204 197 D C 1.338 177.753 176.300 0.191 0.000 0.976 197 D CA 1.100 55.190 54.000 0.150 0.000 0.853 197 D CB -0.196 40.696 40.800 0.154 0.000 0.939 197 D HN 0.609 nan 8.370 nan 0.000 0.481 198 D N 0.858 121.388 120.400 0.217 0.000 2.123 198 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 198 D C 1.874 178.313 176.300 0.230 0.000 0.976 198 D CA 0.943 55.092 54.000 0.248 0.000 0.831 198 D CB -0.783 40.187 40.800 0.283 0.000 0.974 198 D HN 0.423 nan 8.370 nan 0.000 0.469 199 E N 0.740 120.989 120.200 0.082 0.000 2.033 199 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 199 E C 1.682 178.334 176.600 0.086 0.000 1.011 199 E CA 1.175 57.424 56.400 -0.253 0.000 0.815 199 E CB 0.140 29.406 29.700 -0.723 0.000 0.755 199 E HN -0.029 nan 8.360 nan 0.000 0.451 200 K N 0.044 120.499 120.400 0.091 0.000 2.209 200 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 200 K C 1.952 178.670 176.600 0.196 0.000 1.048 200 K CA 1.021 57.401 56.287 0.155 0.000 0.940 200 K CB -0.730 31.854 32.500 0.141 0.000 0.729 200 K HN 0.382 nan 8.250 nan 0.000 0.451 201 Y N 1.001 121.362 120.300 0.101 0.000 2.200 201 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 201 Y C 1.885 177.824 175.900 0.065 0.000 1.137 201 Y CA 1.033 59.179 58.100 0.077 0.000 1.163 201 Y CB -0.182 38.315 38.460 0.062 0.000 0.988 201 Y HN -0.147 nan 8.280 nan 0.000 0.518 202 L N -0.733 120.551 121.223 0.102 0.000 2.046 202 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 202 L C 2.257 179.030 176.870 -0.161 0.000 1.077 202 L CA 1.591 56.395 54.840 -0.061 0.000 0.747 202 L CB -1.413 40.649 42.059 0.005 0.000 0.896 202 L HN 0.486 nan 8.230 nan 0.000 0.432 203 W N -0.168 121.067 121.300 -0.108 0.000 2.640 203 W HA 0.037 4.697 4.660 -0.000 0.000 0.268 203 W C 0.962 177.446 176.519 -0.059 0.000 1.263 203 W CA 0.170 57.473 57.345 -0.070 0.000 1.344 203 W CB 0.347 29.781 29.460 -0.044 0.000 1.093 203 W HN 0.092 nan 8.180 nan 0.000 0.603 204 K N 0.344 120.825 120.400 0.135 0.000 2.258 204 K HA 0.098 4.418 4.320 -0.000 0.000 0.236 204 K C -0.487 176.100 176.600 -0.021 0.000 1.008 204 K CA -0.784 55.550 56.287 0.077 0.000 0.869 204 K CB 1.056 33.627 32.500 0.117 0.000 1.171 204 K HN -0.425 nan 8.250 nan 0.000 0.447 205 D N 2.406 122.809 120.400 0.004 0.000 2.551 205 D HA 0.172 4.812 4.640 -0.000 0.000 0.223 205 D C -0.923 175.383 176.300 0.010 0.000 1.144 205 D CA 0.172 54.158 54.000 -0.023 0.000 1.025 205 D CB -0.503 40.299 40.800 0.003 0.000 1.085 205 D HN 0.293 nan 8.370 nan 0.000 0.506 206 L N 0.906 122.117 121.223 -0.021 0.000 2.333 206 L HA 0.362 4.702 4.340 -0.000 0.000 0.263 206 L C 0.744 177.679 176.870 0.108 0.000 1.014 206 L CA -0.866 54.012 54.840 0.063 0.000 0.820 206 L CB 2.360 44.497 42.059 0.129 0.000 1.352 206 L HN -0.048 nan 8.230 nan 0.000 0.421 207 T N 0.557 115.189 114.554 0.131 0.000 2.899 207 T HA 0.318 4.668 4.350 -0.000 0.000 0.284 207 T C 1.250 176.079 174.700 0.215 0.000 1.004 207 T CA -0.335 61.872 62.100 0.179 0.000 1.043 207 T CB 0.964 69.875 68.868 0.071 0.000 1.013 207 T HN 0.420 nan 8.240 nan 0.000 0.518 208 L N 1.345 122.651 121.223 0.137 0.000 2.083 208 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 208 L C 2.114 178.985 176.870 0.001 0.000 1.083 208 L CA 1.286 56.096 54.840 -0.050 0.000 0.752 208 L CB -0.204 41.715 42.059 -0.233 0.000 0.899 208 L HN 0.654 nan 8.230 nan 0.000 0.433 209 D N -0.596 119.805 120.400 0.001 0.000 2.144 209 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 209 D C 2.258 178.521 176.300 -0.061 0.000 0.978 209 D CA 0.944 54.957 54.000 0.021 0.000 0.833 209 D CB -0.038 40.769 40.800 0.011 0.000 0.961 209 D HN 0.421 nan 8.370 nan 0.000 0.470 210 Q N 0.618 120.325 119.800 -0.155 0.000 1.993 210 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 210 Q C 2.344 177.906 176.000 -0.731 0.000 0.984 210 Q CA 1.441 56.948 55.803 -0.494 0.000 0.837 210 Q CB -0.223 28.303 28.738 -0.354 0.000 0.902 210 Q HN 0.192 nan 8.270 nan 0.000 0.423 211 A N 0.735 123.384 122.820 -0.285 0.000 1.884 211 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 211 A C 2.003 179.557 177.584 -0.049 0.000 1.197 211 A CA 1.948 53.938 52.037 -0.079 0.000 0.637 211 A CB -1.187 17.895 19.000 0.138 0.000 0.827 211 A HN 0.557 nan 8.150 nan 0.000 0.450 212 Y N 0.989 121.221 120.300 -0.113 0.000 2.181 212 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 212 Y C 2.769 178.624 175.900 -0.075 0.000 1.146 212 Y CA 1.580 59.640 58.100 -0.066 0.000 1.164 212 Y CB -0.556 37.870 38.460 -0.056 0.000 0.982 212 Y HN 0.284 nan 8.280 nan 0.000 0.515 213 S N -0.515 115.035 115.700 -0.250 0.000 2.382 213 S HA -0.185 4.285 4.470 -0.000 0.000 0.228 213 S C 1.661 176.183 174.600 -0.130 0.000 1.027 213 S CA 1.434 59.478 58.200 -0.259 0.000 0.991 213 S CB -0.544 62.542 63.200 -0.189 0.000 0.823 213 S HN 0.564 nan 8.310 nan 0.000 0.469 214 Y N 1.433 121.672 120.300 -0.102 0.000 2.293 214 Y HA 0.106 4.656 4.550 -0.000 0.000 0.291 214 Y C 2.552 178.369 175.900 -0.138 0.000 1.137 214 Y CA -0.159 57.884 58.100 -0.095 0.000 1.202 214 Y CB -1.363 37.068 38.460 -0.049 0.000 0.990 214 Y HN 0.249 nan 8.280 nan 0.000 0.537 215 A N -0.179 122.622 122.820 -0.032 0.000 1.877 215 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 215 A C 2.454 179.929 177.584 -0.182 0.000 1.186 215 A CA 1.969 53.942 52.037 -0.107 0.000 0.620 215 A CB -1.121 17.812 19.000 -0.112 0.000 0.822 215 A HN 0.225 nan 8.150 nan 0.000 0.443 216 V N 0.155 119.890 119.914 -0.299 0.000 2.515 216 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 216 V C 2.503 178.507 176.094 -0.151 0.000 1.058 216 V CA 1.934 64.077 62.300 -0.261 0.000 1.064 216 V CB -0.632 30.970 31.823 -0.368 0.000 0.675 216 V HN 0.486 nan 8.190 nan 0.000 0.461 217 E N 0.346 120.483 120.200 -0.105 0.000 2.072 217 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 217 E C 2.036 178.588 176.600 -0.081 0.000 0.982 217 E CA 0.987 57.351 56.400 -0.061 0.000 0.803 217 E CB -0.446 29.255 29.700 0.000 0.000 0.755 217 E HN 0.698 nan 8.360 nan 0.000 0.453 218 N N 0.812 119.457 118.700 -0.091 0.000 2.289 218 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 218 N C 1.798 177.199 175.510 -0.181 0.000 1.016 218 N CA 0.717 53.688 53.050 -0.132 0.000 0.872 218 N CB 0.003 38.406 38.487 -0.140 0.000 0.973 218 N HN 0.063 nan 8.380 nan 0.000 0.433 219 A N 1.766 124.479 122.820 -0.177 0.000 1.972 219 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 219 A C 2.021 179.469 177.584 -0.227 0.000 1.169 219 A CA 1.265 53.175 52.037 -0.212 0.000 0.635 219 A CB -0.213 18.680 19.000 -0.179 0.000 0.810 219 A HN 0.209 nan 8.150 nan 0.000 0.446 220 K N -0.226 120.071 120.400 -0.172 0.000 2.097 220 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 220 K C 1.371 177.864 176.600 -0.179 0.000 1.050 220 K CA 1.364 57.553 56.287 -0.164 0.000 0.938 220 K CB -0.184 32.252 32.500 -0.106 0.000 0.718 220 K HN 0.504 nan 8.250 nan 0.000 0.442 221 D N 0.884 121.200 120.400 -0.139 0.000 2.144 221 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 221 D C 1.951 178.175 176.300 -0.125 0.000 0.978 221 D CA 1.014 54.972 54.000 -0.071 0.000 0.833 221 D CB 0.061 40.880 40.800 0.031 0.000 0.961 221 D HN 0.191 nan 8.370 nan 0.000 0.470 222 I N 1.036 121.460 120.570 -0.244 0.000 2.252 222 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 222 I C 2.423 178.504 176.117 -0.060 0.000 1.102 222 I CA 0.666 61.806 61.300 -0.265 0.000 1.385 222 I CB -0.089 37.639 38.000 -0.453 0.000 1.064 222 I HN -0.071 nan 8.210 nan 0.000 0.414 223 I N 0.986 121.416 120.570 -0.234 0.000 2.454 223 I HA -0.242 3.928 4.170 -0.000 0.000 0.254 223 I C 2.562 178.557 176.117 -0.202 0.000 1.156 223 I CA 1.030 62.125 61.300 -0.341 0.000 1.433 223 I CB -0.357 37.270 38.000 -0.622 0.000 1.082 223 I HN 0.165 nan 8.210 nan 0.000 0.432 224 A N -0.654 122.034 122.820 -0.220 0.000 2.209 224 A HA -0.139 4.181 4.320 -0.000 0.000 0.212 224 A C 2.115 179.577 177.584 -0.204 0.000 1.158 224 A CA 0.831 52.709 52.037 -0.265 0.000 0.742 224 A CB -0.879 17.810 19.000 -0.519 0.000 0.790 224 A HN 0.557 nan 8.150 nan 0.000 0.472 225 C N -1.391 117.812 119.300 -0.162 0.000 2.576 225 C HA 0.420 4.880 4.460 -0.000 0.000 0.267 225 C C 2.017 176.800 174.990 -0.345 0.000 1.364 225 C CA 0.392 59.296 59.018 -0.191 0.000 1.723 225 C CB -1.153 26.486 27.740 -0.168 0.000 1.778 225 C HN 1.008 nan 8.230 nan 0.000 0.572 226 G N -0.064 108.575 108.800 -0.270 0.000 2.159 226 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 226 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 226 G C 0.024 174.838 174.900 -0.143 0.000 0.986 226 G CA -0.542 44.446 45.100 -0.186 0.000 0.651 226 G HN 0.459 nan 8.290 nan 0.000 0.523 227 F N 1.731 121.736 119.950 0.092 0.000 2.629 227 F HA 0.216 4.743 4.527 -0.000 0.000 0.377 227 F C 1.169 177.124 175.800 0.257 0.000 1.101 227 F CA 0.140 58.235 58.000 0.157 0.000 1.301 227 F CB 0.506 39.602 39.000 0.160 0.000 1.062 227 F HN 0.042 nan 8.300 nan 0.000 0.583 228 D N 4.325 124.949 120.400 0.372 0.000 2.382 228 D HA -0.055 4.585 4.640 -0.000 0.000 0.259 228 D C 1.161 177.585 176.300 0.207 0.000 1.224 228 D CA 0.166 54.312 54.000 0.245 0.000 0.894 228 D CB 0.648 41.548 40.800 0.167 0.000 1.127 228 D HN 0.670 nan 8.370 nan 0.000 0.487 229 I N 4.096 124.698 120.570 0.053 0.000 2.657 229 I HA -0.252 3.918 4.170 -0.000 0.000 0.261 229 I C 0.946 176.869 176.117 -0.324 0.000 1.212 229 I CA 0.852 61.839 61.300 -0.522 0.000 1.453 229 I CB 0.118 37.774 38.000 -0.573 0.000 1.092 229 I HN 0.300 nan 8.210 nan 0.000 0.452 230 N N 0.824 119.469 118.700 -0.091 0.000 2.230 230 N HA 0.067 4.807 4.740 -0.000 0.000 0.202 230 N C 0.532 176.060 175.510 0.031 0.000 1.119 230 N CA 0.306 53.338 53.050 -0.030 0.000 0.851 230 N CB 0.484 38.987 38.487 0.027 0.000 0.990 230 N HN 0.487 nan 8.380 nan 0.000 0.497 231 K N -0.529 119.879 120.400 0.014 0.000 2.517 231 K HA 0.092 4.412 4.320 -0.000 0.000 0.210 231 K C 0.144 176.688 176.600 -0.094 0.000 1.166 231 K CA 0.039 56.275 56.287 -0.086 0.000 1.030 231 K CB 1.483 33.979 32.500 -0.006 0.000 0.974 231 K HN -0.068 nan 8.250 nan 0.000 0.585 232 T N -0.906 113.660 114.554 0.019 0.000 2.921 232 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 232 T C -1.770 173.039 174.700 0.180 0.000 1.013 232 T CA -0.673 61.476 62.100 0.082 0.000 0.990 232 T CB 1.100 70.056 68.868 0.146 0.000 1.023 232 T HN 0.057 nan 8.240 nan 0.000 0.447 233 F N 6.114 126.029 119.950 -0.059 0.000 2.375 233 F HA 0.654 5.181 4.527 -0.000 0.000 0.361 233 F C -1.060 174.779 175.800 0.065 0.000 1.117 233 F CA -2.094 55.882 58.000 -0.040 0.000 1.037 233 F CB 0.619 39.492 39.000 -0.211 0.000 1.192 233 F HN 0.569 nan 8.300 nan 0.000 0.452 234 I N 8.680 129.153 120.570 -0.160 0.000 2.307 234 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 234 I C -0.819 175.018 176.117 -0.465 0.000 1.021 234 I CA -0.696 60.433 61.300 -0.285 0.000 1.224 234 I CB 0.412 38.334 38.000 -0.131 0.000 1.376 234 I HN 0.454 nan 8.210 nan 0.000 0.470 235 F N 4.003 123.502 119.950 -0.752 0.000 2.538 235 F HA 0.731 5.258 4.527 -0.000 0.000 0.325 235 F C 0.014 175.693 175.800 -0.203 0.000 1.066 235 F CA -1.283 56.349 58.000 -0.613 0.000 0.946 235 F CB 1.342 39.735 39.000 -1.011 0.000 1.199 235 F HN 0.295 nan 8.300 nan 0.000 0.473 236 S N 1.342 117.089 115.700 0.079 0.000 2.480 236 S HA 0.244 4.714 4.470 -0.000 0.000 0.286 236 S C 0.457 175.219 174.600 0.271 0.000 1.180 236 S CA -0.562 57.710 58.200 0.121 0.000 1.075 236 S CB 0.719 64.079 63.200 0.268 0.000 0.996 236 S HN 0.717 nan 8.310 nan 0.000 0.487 237 D N 3.672 124.215 120.400 0.239 0.000 2.123 237 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 237 D C 1.884 178.347 176.300 0.271 0.000 0.992 237 D CA 1.340 55.540 54.000 0.333 0.000 0.833 237 D CB -0.181 40.840 40.800 0.368 0.000 0.954 237 D HN 0.603 nan 8.370 nan 0.000 0.455 238 L N 0.741 122.092 121.223 0.213 0.000 2.012 238 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 238 L C 2.123 179.046 176.870 0.088 0.000 1.073 238 L CA 1.170 56.083 54.840 0.121 0.000 0.748 238 L CB -0.325 41.778 42.059 0.073 0.000 0.891 238 L HN -0.046 nan 8.230 nan 0.000 0.431 239 D N -1.139 119.348 120.400 0.146 0.000 2.110 239 D HA -0.189 4.451 4.640 -0.000 0.000 0.202 239 D C 1.999 178.410 176.300 0.185 0.000 0.975 239 D CA 1.104 55.182 54.000 0.131 0.000 0.839 239 D CB -0.201 40.721 40.800 0.203 0.000 0.996 239 D HN 0.183 nan 8.370 nan 0.000 0.464 240 Y N 1.021 121.389 120.300 0.113 0.000 2.207 240 Y HA -0.209 4.341 4.550 -0.000 0.000 0.287 240 Y C 2.287 178.173 175.900 -0.023 0.000 1.156 240 Y CA 1.127 59.252 58.100 0.041 0.000 1.182 240 Y CB -0.425 38.023 38.460 -0.021 0.000 0.979 240 Y HN -0.126 nan 8.280 nan 0.000 0.521 241 M N -0.145 119.446 119.600 -0.015 0.000 2.143 241 M HA -0.129 4.351 4.480 -0.000 0.000 0.258 241 M C 1.917 178.180 176.300 -0.061 0.000 1.071 241 M CA 2.142 57.468 55.300 0.044 0.000 1.088 241 M CB -0.935 31.773 32.600 0.180 0.000 1.360 241 M HN 0.218 nan 8.290 nan 0.000 0.404 242 G N -0.441 108.320 108.800 -0.065 0.000 3.233 242 G HA2 0.304 4.264 3.960 -0.000 0.000 0.227 242 G HA3 0.304 4.264 3.960 -0.000 0.000 0.227 242 G C 0.586 175.432 174.900 -0.090 0.000 1.175 242 G CA 0.271 45.324 45.100 -0.079 0.000 0.781 242 G HN 0.615 nan 8.290 nan 0.000 0.542 243 M N -1.371 118.135 119.600 -0.157 0.000 4.145 243 M HA 0.479 4.959 4.480 -0.000 0.000 0.493 243 M C -0.717 175.424 176.300 -0.265 0.000 1.957 243 M CA -0.496 54.729 55.300 -0.125 0.000 0.584 243 M CB 0.903 33.504 32.600 0.002 0.000 1.446 243 M HN -0.072 nan 8.290 nan 0.000 0.557 244 S N 0.542 116.030 115.700 -0.353 0.000 2.668 244 S HA 0.440 4.910 4.470 -0.000 0.000 0.277 244 S C 0.612 175.117 174.600 -0.159 0.000 1.170 244 S CA 0.028 57.989 58.200 -0.397 0.000 0.994 244 S CB 1.719 64.364 63.200 -0.925 0.000 1.051 244 S HN 0.532 nan 8.310 nan 0.000 0.484 245 S N 3.081 118.731 115.700 -0.084 0.000 2.607 245 S HA 0.207 4.677 4.470 -0.000 0.000 0.224 245 S C 1.239 175.835 174.600 -0.008 0.000 0.969 245 S CA 0.599 58.782 58.200 -0.030 0.000 0.927 245 S CB 0.060 63.250 63.200 -0.017 0.000 0.772 245 S HN 0.951 nan 8.310 nan 0.000 0.533 246 G N -0.435 108.354 108.800 -0.018 0.000 2.797 246 G HA2 0.224 4.184 3.960 -0.000 0.000 0.209 246 G HA3 0.224 4.184 3.960 -0.000 0.000 0.209 246 G C 0.616 175.514 174.900 -0.003 0.000 1.080 246 G CA -0.168 44.929 45.100 -0.004 0.000 0.897 246 G HN 0.375 nan 8.290 nan 0.000 0.641 247 F N 1.196 121.035 119.950 -0.186 0.000 2.026 247 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 247 F C 2.267 178.048 175.800 -0.031 0.000 1.133 247 F CA 1.652 59.545 58.000 -0.178 0.000 1.188 247 F CB -0.328 38.498 39.000 -0.291 0.000 0.968 247 F HN 0.147 nan 8.300 nan 0.000 0.476 248 Y N 1.334 121.607 120.300 -0.046 0.000 2.207 248 Y HA -0.215 4.335 4.550 -0.000 0.000 0.287 248 Y C 2.341 178.180 175.900 -0.101 0.000 1.156 248 Y CA 1.947 59.996 58.100 -0.086 0.000 1.182 248 Y CB -0.584 37.877 38.460 0.001 0.000 0.979 248 Y HN 0.065 nan 8.280 nan 0.000 0.521 249 K N -0.186 120.144 120.400 -0.116 0.000 2.044 249 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 249 K C 1.830 178.302 176.600 -0.213 0.000 1.049 249 K CA 1.586 57.772 56.287 -0.169 0.000 0.927 249 K CB -0.255 32.216 32.500 -0.048 0.000 0.713 249 K HN 0.340 nan 8.250 nan 0.000 0.443 250 N N 0.613 119.207 118.700 -0.177 0.000 2.142 250 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 250 N C 1.890 177.291 175.510 -0.183 0.000 1.023 250 N CA 0.788 53.765 53.050 -0.123 0.000 0.852 250 N CB -0.379 38.069 38.487 -0.065 0.000 0.998 250 N HN -0.063 nan 8.380 nan 0.000 0.424 251 V N 0.999 120.714 119.914 -0.332 0.000 2.282 251 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 251 V C 2.424 178.367 176.094 -0.253 0.000 1.057 251 V CA 1.327 63.452 62.300 -0.292 0.000 1.032 251 V CB -0.493 31.144 31.823 -0.310 0.000 0.645 251 V HN 0.068 nan 8.190 nan 0.000 0.447 252 V N -0.557 119.105 119.914 -0.419 0.000 2.295 252 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 252 V C 2.415 178.428 176.094 -0.134 0.000 1.049 252 V CA 2.166 64.273 62.300 -0.321 0.000 1.024 252 V CB -0.737 30.829 31.823 -0.428 0.000 0.648 252 V HN 0.528 nan 8.190 nan 0.000 0.447 253 K N -0.184 120.149 120.400 -0.112 0.000 2.044 253 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 253 K C 2.019 178.679 176.600 0.100 0.000 1.049 253 K CA 1.998 58.276 56.287 -0.015 0.000 0.927 253 K CB -0.415 32.029 32.500 -0.092 0.000 0.713 253 K HN 0.416 nan 8.250 nan 0.000 0.443 254 I N 1.292 121.885 120.570 0.040 0.000 2.179 254 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 254 I C 2.405 178.599 176.117 0.128 0.000 1.088 254 I CA 1.337 62.701 61.300 0.107 0.000 1.357 254 I CB -0.366 37.706 38.000 0.120 0.000 1.051 254 I HN 0.220 nan 8.210 nan 0.000 0.409 255 Q N 0.718 120.552 119.800 0.058 0.000 2.181 255 Q HA -0.271 4.069 4.340 -0.000 0.000 0.205 255 Q C 2.170 178.194 176.000 0.041 0.000 0.980 255 Q CA 1.428 57.262 55.803 0.051 0.000 0.862 255 Q CB -0.260 28.483 28.738 0.009 0.000 0.905 255 Q HN 0.464 nan 8.270 nan 0.000 0.429 256 K N 0.161 120.573 120.400 0.019 0.000 2.288 256 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 256 K C 0.951 177.411 176.600 -0.233 0.000 1.048 256 K CA 0.773 56.994 56.287 -0.110 0.000 0.956 256 K CB 0.257 32.650 32.500 -0.179 0.000 0.746 256 K HN 0.349 nan 8.250 nan 0.000 0.461 257 H N -0.300 118.776 119.070 0.010 0.000 2.505 257 H HA 0.175 4.730 4.556 -0.000 0.000 0.289 257 H C -0.809 174.550 175.328 0.052 0.000 1.052 257 H CA -0.081 55.980 56.048 0.021 0.000 1.156 257 H CB 0.753 30.518 29.762 0.006 0.000 1.507 257 H HN -0.113 nan 8.280 nan 0.000 0.548 258 V N 2.227 122.224 119.914 0.138 0.000 2.488 258 V HA 0.097 4.217 4.120 -0.000 0.000 0.293 258 V C 0.495 176.672 176.094 0.138 0.000 1.027 258 V CA -0.853 61.535 62.300 0.146 0.000 0.862 258 V CB 1.906 33.837 31.823 0.179 0.000 1.008 258 V HN 0.375 nan 8.190 nan 0.000 0.428 259 T N 1.124 115.755 114.554 0.127 0.000 2.874 259 T HA 0.356 4.706 4.350 -0.000 0.000 0.281 259 T C 0.945 175.779 174.700 0.224 0.000 0.994 259 T CA -0.152 62.038 62.100 0.150 0.000 1.015 259 T CB 0.936 69.870 68.868 0.111 0.000 1.028 259 T HN 0.347 nan 8.240 nan 0.000 0.523 260 F N 1.714 121.720 119.950 0.093 0.000 2.134 260 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 260 F C 2.141 178.020 175.800 0.132 0.000 1.097 260 F CA 1.470 59.546 58.000 0.127 0.000 1.264 260 F CB -0.855 38.201 39.000 0.094 0.000 1.001 260 F HN 0.565 nan 8.300 nan 0.000 0.479 261 N N 0.620 119.324 118.700 0.006 0.000 2.061 261 N HA -0.230 4.510 4.740 -0.000 0.000 0.193 261 N C 1.863 177.305 175.510 -0.113 0.000 1.030 261 N CA 1.845 54.828 53.050 -0.112 0.000 0.856 261 N CB -0.602 37.878 38.487 -0.011 0.000 1.023 261 N HN 0.526 nan 8.380 nan 0.000 0.424 262 Q N 0.290 120.077 119.800 -0.020 0.000 2.045 262 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 262 Q C 2.235 178.225 176.000 -0.016 0.000 0.991 262 Q CA 2.072 57.868 55.803 -0.011 0.000 0.851 262 Q CB -0.268 28.500 28.738 0.049 0.000 0.911 262 Q HN 0.429 nan 8.270 nan 0.000 0.418 263 V N -1.923 118.047 119.914 0.095 0.000 2.759 263 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 263 V C 2.237 178.317 176.094 -0.023 0.000 1.080 263 V CA 2.004 64.449 62.300 0.241 0.000 1.101 263 V CB -1.414 30.770 31.823 0.602 0.000 0.698 263 V HN 0.305 nan 8.190 nan 0.000 0.477 264 K N 1.345 121.623 120.400 -0.204 0.000 2.097 264 K HA 0.147 4.467 4.320 -0.000 0.000 0.205 264 K C 2.234 178.698 176.600 -0.226 0.000 1.050 264 K CA 1.569 57.680 56.287 -0.293 0.000 0.938 264 K CB -1.535 30.672 32.500 -0.489 0.000 0.718 264 K HN 0.689 nan 8.250 nan 0.000 0.442 265 G N 0.701 109.380 108.800 -0.203 0.000 2.395 265 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.214 265 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.214 265 G C 1.809 176.548 174.900 -0.268 0.000 1.177 265 G CA 0.898 45.883 45.100 -0.192 0.000 0.794 265 G HN 0.459 nan 8.290 nan 0.000 0.532 266 I N -0.492 119.866 120.570 -0.355 0.000 2.163 266 I HA -0.038 4.132 4.170 -0.000 0.000 0.240 266 I C 2.151 177.764 176.117 -0.841 0.000 1.081 266 I CA 1.125 62.041 61.300 -0.640 0.000 1.353 266 I CB -0.181 37.301 38.000 -0.865 0.000 1.054 266 I HN 0.108 nan 8.210 nan 0.000 0.407 267 F N 0.120 119.767 119.950 -0.506 0.000 2.717 267 F HA 0.353 4.880 4.527 -0.000 0.000 0.295 267 F C 1.582 177.026 175.800 -0.593 0.000 1.117 267 F CA 0.389 57.992 58.000 -0.662 0.000 1.361 267 F CB 0.062 38.400 39.000 -1.103 0.000 1.112 267 F HN 0.126 nan 8.300 nan 0.000 0.594 268 G N 0.827 109.414 108.800 -0.356 0.000 2.204 268 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 268 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 268 G C -0.100 174.779 174.900 -0.035 0.000 1.062 268 G CA -0.615 44.384 45.100 -0.169 0.000 0.798 268 G HN 0.076 nan 8.290 nan 0.000 0.496 269 F N 0.736 120.750 119.950 0.106 0.000 2.375 269 F HA 0.744 5.271 4.527 -0.000 0.000 0.313 269 F C 1.283 177.142 175.800 0.098 0.000 1.176 269 F CA -0.100 57.986 58.000 0.144 0.000 1.142 269 F CB 1.001 40.131 39.000 0.216 0.000 1.275 269 F HN 0.361 nan 8.300 nan 0.000 0.544 270 T N -3.403 111.403 114.554 0.420 0.000 2.864 270 T HA 0.341 4.691 4.350 -0.000 0.000 0.289 270 T C 0.074 175.028 174.700 0.422 0.000 1.082 270 T CA -0.762 61.536 62.100 0.331 0.000 1.009 270 T CB 1.453 70.441 68.868 0.200 0.000 1.234 270 T HN 0.301 nan 8.240 nan 0.000 0.526 271 D N 0.585 121.181 120.400 0.327 0.000 2.309 271 D HA -0.017 4.623 4.640 -0.000 0.000 0.212 271 D C 1.866 178.208 176.300 0.070 0.000 0.968 271 D CA 1.255 55.363 54.000 0.180 0.000 0.882 271 D CB -0.106 40.771 40.800 0.127 0.000 0.918 271 D HN 0.529 nan 8.370 nan 0.000 0.503 272 S N -0.271 115.481 115.700 0.087 0.000 2.527 272 S HA -0.038 4.432 4.470 -0.000 0.000 0.222 272 S C 0.381 174.980 174.600 -0.002 0.000 0.985 272 S CA -0.206 58.015 58.200 0.034 0.000 0.921 272 S CB 0.021 63.247 63.200 0.043 0.000 0.772 272 S HN 0.013 nan 8.310 nan 0.000 0.529 273 D N 2.027 122.432 120.400 0.010 0.000 2.339 273 D HA 0.184 4.824 4.640 -0.000 0.000 0.245 273 D C 0.593 176.801 176.300 -0.153 0.000 1.115 273 D CA -0.081 53.867 54.000 -0.087 0.000 0.917 273 D CB 0.966 41.711 40.800 -0.092 0.000 1.192 273 D HN 0.515 nan 8.370 nan 0.000 0.428 274 C N 0.719 119.886 119.300 -0.221 0.000 2.652 274 C HA 0.256 4.716 4.460 -0.000 0.000 0.412 274 C C 2.470 177.329 174.990 -0.217 0.000 1.294 274 C CA -0.891 58.009 59.018 -0.198 0.000 2.127 274 C CB -0.812 26.806 27.740 -0.202 0.000 2.691 274 C HN 0.702 nan 8.230 nan 0.000 0.615 275 I N 1.002 121.477 120.570 -0.159 0.000 2.530 275 I HA 0.055 4.225 4.170 -0.000 0.000 0.257 275 I C 1.910 177.957 176.117 -0.116 0.000 1.179 275 I CA 1.820 63.035 61.300 -0.141 0.000 1.440 275 I CB -1.201 36.739 38.000 -0.098 0.000 1.087 275 I HN 0.841 nan 8.210 nan 0.000 0.440 276 G N 1.801 110.532 108.800 -0.115 0.000 2.404 276 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 276 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 276 G C 1.722 176.561 174.900 -0.102 0.000 1.174 276 G CA 0.602 45.671 45.100 -0.051 0.000 0.780 276 G HN 0.394 nan 8.290 nan 0.000 0.537 277 K N -0.059 120.115 120.400 -0.376 0.000 2.063 277 K HA 0.013 4.333 4.320 -0.000 0.000 0.208 277 K C 2.428 178.682 176.600 -0.577 0.000 1.048 277 K CA 1.003 56.878 56.287 -0.686 0.000 0.928 277 K CB -0.274 31.511 32.500 -1.191 0.000 0.713 277 K HN 0.312 nan 8.250 nan 0.000 0.442 278 I N 1.067 121.312 120.570 -0.543 0.000 2.361 278 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 278 I C 2.266 178.359 176.117 -0.040 0.000 1.133 278 I CA 1.410 62.477 61.300 -0.389 0.000 1.413 278 I CB -0.173 37.759 38.000 -0.113 0.000 1.073 278 I HN 0.194 nan 8.210 nan 0.000 0.424 279 S N -0.554 115.159 115.700 0.022 0.000 2.540 279 S HA 0.014 4.484 4.470 -0.000 0.000 0.218 279 S C 1.720 176.420 174.600 0.166 0.000 0.977 279 S CA -0.456 57.810 58.200 0.109 0.000 0.918 279 S CB -0.499 62.755 63.200 0.089 0.000 0.806 279 S HN 0.402 nan 8.310 nan 0.000 0.496 280 F N 4.085 124.099 119.950 0.106 0.000 2.120 280 F HA 0.082 4.609 4.527 -0.000 0.000 0.300 280 F C -1.203 174.735 175.800 0.229 0.000 1.095 280 F CA 1.006 59.134 58.000 0.212 0.000 1.249 280 F CB -1.518 37.701 39.000 0.364 0.000 0.995 280 F HN 0.194 nan 8.300 nan 0.000 0.480 281 P HA -0.283 nan 4.420 nan 0.000 0.218 281 P C 1.524 178.780 177.300 -0.073 0.000 1.150 281 P CA 2.561 65.633 63.100 -0.047 0.000 0.841 281 P CB -0.404 31.280 31.700 -0.027 0.000 0.784 282 A N -0.831 121.963 122.820 -0.043 0.000 1.930 282 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 282 A C 2.059 179.589 177.584 -0.091 0.000 1.175 282 A CA 1.335 53.368 52.037 -0.007 0.000 0.627 282 A CB -1.343 17.668 19.000 0.018 0.000 0.815 282 A HN 0.045 nan 8.150 nan 0.000 0.443 283 I N -0.068 120.378 120.570 -0.206 0.000 2.208 283 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 283 I C 2.584 178.667 176.117 -0.056 0.000 1.097 283 I CA 2.018 63.247 61.300 -0.119 0.000 1.363 283 I CB -1.477 36.490 38.000 -0.054 0.000 1.051 283 I HN 0.564 nan 8.210 nan 0.000 0.413 284 Q N 0.559 120.162 119.800 -0.327 0.000 2.230 284 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 284 Q C 2.256 178.409 176.000 0.254 0.000 0.963 284 Q CA 1.485 57.265 55.803 -0.038 0.000 0.866 284 Q CB 0.105 28.639 28.738 -0.340 0.000 0.931 284 Q HN 0.477 nan 8.270 nan 0.000 0.452 285 A N 0.515 123.437 122.820 0.169 0.000 1.898 285 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 285 A C 2.303 179.987 177.584 0.167 0.000 1.183 285 A CA 1.184 53.387 52.037 0.277 0.000 0.622 285 A CB -0.966 18.188 19.000 0.255 0.000 0.824 285 A HN 0.509 nan 8.150 nan 0.000 0.444 286 A N 0.672 123.558 122.820 0.109 0.000 1.940 286 A HA -0.155 4.165 4.320 -0.000 0.000 0.221 286 A C 0.127 177.724 177.584 0.021 0.000 1.190 286 A CA 2.086 54.142 52.037 0.032 0.000 0.647 286 A CB -1.729 17.031 19.000 -0.399 0.000 0.821 286 A HN 0.518 nan 8.150 nan 0.000 0.457 287 P HA 0.015 nan 4.420 nan 0.000 0.239 287 P C 0.783 177.993 177.300 -0.149 0.000 1.184 287 P CA 1.064 64.196 63.100 0.054 0.000 0.760 287 P CB -0.067 31.625 31.700 -0.014 0.000 0.884 288 S N -0.809 114.699 115.700 -0.320 0.000 2.522 288 S HA 0.058 4.528 4.470 -0.000 0.000 0.227 288 S C 0.410 174.728 174.600 -0.470 0.000 0.986 288 S CA 0.454 58.404 58.200 -0.417 0.000 0.929 288 S CB -0.504 62.316 63.200 -0.634 0.000 0.769 288 S HN 0.109 nan 8.310 nan 0.000 0.529 289 F N 1.852 121.841 119.950 0.066 0.000 2.388 289 F HA 0.327 4.854 4.527 -0.000 0.000 0.358 289 F C 1.500 177.240 175.800 -0.100 0.000 1.122 289 F CA -1.524 56.379 58.000 -0.162 0.000 1.056 289 F CB 0.729 39.393 39.000 -0.560 0.000 1.155 289 F HN -0.016 nan 8.300 nan 0.000 0.461 290 S N 1.354 117.047 115.700 -0.011 0.000 2.413 290 S HA -0.340 4.130 4.470 -0.000 0.000 0.237 290 S C 1.238 175.856 174.600 0.029 0.000 1.044 290 S CA 1.788 59.830 58.200 -0.263 0.000 1.024 290 S CB -1.075 61.615 63.200 -0.849 0.000 0.829 290 S HN 0.842 nan 8.310 nan 0.000 0.475 291 N N 0.293 118.957 118.700 -0.060 0.000 2.434 291 N HA 0.124 4.864 4.740 -0.000 0.000 0.196 291 N C 0.891 176.397 175.510 -0.006 0.000 1.183 291 N CA 0.415 53.461 53.050 -0.007 0.000 0.849 291 N CB -0.040 38.430 38.487 -0.028 0.000 0.992 291 N HN 0.265 nan 8.380 nan 0.000 0.460 292 S N -0.234 115.441 115.700 -0.042 0.000 2.528 292 S HA 0.144 4.614 4.470 -0.000 0.000 0.219 292 S C -0.391 173.978 174.600 -0.385 0.000 0.985 292 S CA 0.103 58.185 58.200 -0.198 0.000 0.914 292 S CB -0.054 62.972 63.200 -0.288 0.000 0.776 292 S HN 0.354 nan 8.310 nan 0.000 0.526 293 F N 0.846 120.894 119.950 0.162 0.000 2.523 293 F HA 0.388 4.915 4.527 -0.000 0.000 0.322 293 F C -2.195 173.573 175.800 -0.054 0.000 1.361 293 F CA -2.336 55.699 58.000 0.058 0.000 1.151 293 F CB 0.844 39.792 39.000 -0.087 0.000 1.391 293 F HN -0.059 nan 8.300 nan 0.000 0.566 294 P HA -0.247 nan 4.420 nan 0.000 0.216 294 P C 1.574 178.859 177.300 -0.025 0.000 1.154 294 P CA 1.658 64.779 63.100 0.036 0.000 0.865 294 P CB 0.136 31.849 31.700 0.022 0.000 0.789 295 Q N -1.094 118.667 119.800 -0.065 0.000 2.439 295 Q HA -0.076 4.264 4.340 -0.000 0.000 0.211 295 Q C 1.806 177.655 176.000 -0.252 0.000 0.978 295 Q CA 1.259 56.974 55.803 -0.146 0.000 0.897 295 Q CB -0.710 27.917 28.738 -0.186 0.000 0.956 295 Q HN 0.382 nan 8.270 nan 0.000 0.483 296 I N -1.749 118.597 120.570 -0.374 0.000 3.443 296 I HA 0.048 4.218 4.170 -0.000 0.000 0.277 296 I C 1.028 176.640 176.117 -0.841 0.000 1.169 296 I CA 0.371 61.246 61.300 -0.709 0.000 1.419 296 I CB 0.291 37.569 38.000 -1.204 0.000 1.331 296 I HN -0.052 nan 8.210 nan 0.000 0.458 297 F N 0.966 120.745 119.950 -0.285 0.000 2.682 297 F HA 0.366 4.893 4.527 -0.000 0.000 0.308 297 F C 1.293 176.984 175.800 -0.181 0.000 1.093 297 F CA -0.242 57.490 58.000 -0.447 0.000 1.244 297 F CB 0.021 38.688 39.000 -0.555 0.000 1.052 297 F HN -0.103 nan 8.300 nan 0.000 0.573 298 R N 1.889 122.468 120.500 0.131 0.000 2.291 298 R HA -0.265 4.075 4.340 -0.000 0.000 0.270 298 R C 0.547 176.921 176.300 0.124 0.000 1.002 298 R CA 1.033 57.239 56.100 0.176 0.000 0.920 298 R CB -2.937 27.543 30.300 0.300 0.000 2.449 298 R HN 0.638 nan 8.270 nan 0.000 0.527 299 D N -1.900 118.539 120.400 0.066 0.000 2.531 299 D HA -0.229 4.411 4.640 -0.000 0.000 0.176 299 D C 0.715 177.014 176.300 -0.002 0.000 1.217 299 D CA 2.172 56.196 54.000 0.041 0.000 1.125 299 D CB -0.376 40.460 40.800 0.060 0.000 1.148 299 D HN 1.028 nan 8.370 nan 0.000 0.430 300 R N 0.946 121.399 120.500 -0.078 0.000 2.583 300 R HA 0.133 4.473 4.340 -0.000 0.000 0.274 300 R C 0.964 177.206 176.300 -0.097 0.000 0.998 300 R CA 1.579 57.597 56.100 -0.138 0.000 1.081 300 R CB 0.429 30.541 30.300 -0.315 0.000 0.940 300 R HN 0.063 nan 8.270 nan 0.000 0.413 301 T N 1.630 116.153 114.554 -0.051 0.000 3.170 301 T HA 0.082 4.432 4.350 -0.000 0.000 0.288 301 T C 0.185 174.887 174.700 0.003 0.000 0.992 301 T CA 0.368 62.454 62.100 -0.023 0.000 0.909 301 T CB -0.068 68.863 68.868 0.104 0.000 1.133 301 T HN 0.783 nan 8.240 nan 0.000 0.530 302 D N 0.111 120.501 120.400 -0.016 0.000 2.417 302 D HA 0.079 4.719 4.640 -0.000 0.000 0.207 302 D C 0.368 176.681 176.300 0.023 0.000 1.075 302 D CA -0.309 53.708 54.000 0.027 0.000 0.851 302 D CB 0.105 40.930 40.800 0.041 0.000 0.976 302 D HN 0.317 nan 8.370 nan 0.000 0.505 303 I N 2.820 123.359 120.570 -0.051 0.000 2.828 303 I HA -0.130 4.039 4.170 -0.000 0.000 0.292 303 I C 0.972 177.154 176.117 0.108 0.000 1.206 303 I CA 0.344 61.640 61.300 -0.006 0.000 1.420 303 I CB -0.041 37.788 38.000 -0.285 0.000 1.368 303 I HN -0.039 nan 8.210 nan 0.000 0.556 304 Q N 4.742 124.634 119.800 0.154 0.000 2.330 304 Q HA 0.048 4.388 4.340 -0.000 0.000 0.279 304 Q C -0.424 175.622 176.000 0.077 0.000 1.024 304 Q CA 0.176 56.038 55.803 0.099 0.000 0.900 304 Q CB 1.195 29.969 28.738 0.059 0.000 1.221 304 Q HN 0.811 nan 8.270 nan 0.000 0.396 305 C N 5.079 124.315 119.300 -0.106 0.000 2.382 305 C HA 0.677 5.137 4.460 -0.000 0.000 0.327 305 C C -0.951 173.845 174.990 -0.323 0.000 1.250 305 C CA -0.858 57.907 59.018 -0.422 0.000 1.707 305 C CB 0.335 27.784 27.740 -0.484 0.000 2.272 305 C HN 0.734 nan 8.230 nan 0.000 0.506 306 L N 7.370 128.397 121.223 -0.327 0.000 2.325 306 L HA 0.681 5.021 4.340 -0.000 0.000 0.281 306 L C -0.722 175.978 176.870 -0.284 0.000 1.004 306 L CA -0.235 54.432 54.840 -0.288 0.000 0.823 306 L CB 1.193 43.078 42.059 -0.290 0.000 1.236 306 L HN 0.675 nan 8.230 nan 0.000 0.415 307 I N 7.958 128.333 120.570 -0.325 0.000 2.371 307 I HA 0.366 4.536 4.170 -0.000 0.000 0.282 307 I C -2.228 173.728 176.117 -0.270 0.000 1.031 307 I CA -1.563 59.480 61.300 -0.428 0.000 1.180 307 I CB 1.389 38.928 38.000 -0.769 0.000 1.336 307 I HN 0.461 nan 8.210 nan 0.000 0.467 308 P HA 0.310 nan 4.420 nan 0.000 0.292 308 P C -0.819 176.530 177.300 0.083 0.000 1.287 308 P CA -0.226 62.908 63.100 0.057 0.000 0.800 308 P CB 1.419 33.150 31.700 0.052 0.000 0.945 309 C N 0.545 119.989 119.300 0.241 0.000 3.312 309 C HA 0.827 5.287 4.460 -0.000 0.000 0.332 309 C C 0.005 175.076 174.990 0.134 0.000 1.340 309 C CA -1.144 57.967 59.018 0.154 0.000 1.265 309 C CB 1.135 28.957 27.740 0.138 0.000 1.563 309 C HN 0.659 nan 8.230 nan 0.000 0.471 310 A N 1.473 124.335 122.820 0.070 0.000 2.462 310 A HA 0.443 4.763 4.320 -0.000 0.000 0.243 310 A C 1.250 178.837 177.584 0.005 0.000 1.076 310 A CA -0.303 51.722 52.037 -0.020 0.000 0.773 310 A CB 0.027 19.070 19.000 0.072 0.000 1.010 310 A HN 1.272 nan 8.150 nan 0.000 0.493 311 I N 1.368 121.837 120.570 -0.168 0.000 2.300 311 I HA -0.235 3.935 4.170 -0.000 0.000 0.252 311 I C 1.726 177.851 176.117 0.015 0.000 1.119 311 I CA 2.310 63.498 61.300 -0.185 0.000 1.384 311 I CB -0.964 36.870 38.000 -0.275 0.000 1.062 311 I HN 0.882 nan 8.210 nan 0.000 0.426 312 D N -0.800 119.671 120.400 0.120 0.000 2.392 312 D HA -0.179 4.461 4.640 -0.000 0.000 0.228 312 D C 1.628 178.114 176.300 0.310 0.000 1.003 312 D CA 0.582 54.776 54.000 0.323 0.000 0.917 312 D CB -0.320 40.778 40.800 0.496 0.000 0.890 312 D HN 0.310 nan 8.370 nan 0.000 0.532 313 Q N -0.030 119.948 119.800 0.297 0.000 2.384 313 Q HA 0.026 4.366 4.340 -0.000 0.000 0.207 313 Q C 1.100 177.311 176.000 0.352 0.000 0.904 313 Q CA 0.469 56.496 55.803 0.373 0.000 0.933 313 Q CB 0.047 28.999 28.738 0.356 0.000 1.077 313 Q HN 0.382 nan 8.270 nan 0.000 0.522 314 D N 1.366 121.944 120.400 0.296 0.000 2.126 314 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 314 D C -0.873 175.452 176.300 0.042 0.000 1.001 314 D CA 1.867 56.016 54.000 0.248 0.000 0.841 314 D CB -0.447 40.432 40.800 0.131 0.000 0.949 314 D HN 0.157 nan 8.370 nan 0.000 0.446 315 P HA -0.224 nan 4.420 nan 0.000 0.218 315 P C 1.074 178.194 177.300 -0.300 0.000 1.152 315 P CA 1.542 64.402 63.100 -0.401 0.000 0.857 315 P CB -0.366 30.954 31.700 -0.632 0.000 0.787 316 Y N -1.034 119.182 120.300 -0.139 0.000 2.181 316 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 316 Y C 2.424 178.129 175.900 -0.324 0.000 1.146 316 Y CA 1.343 59.351 58.100 -0.154 0.000 1.164 316 Y CB -1.316 36.813 38.460 -0.552 0.000 0.982 316 Y HN -0.115 nan 8.280 nan 0.000 0.515 317 F N -1.476 118.653 119.950 0.298 0.000 2.743 317 F HA 0.113 4.640 4.527 -0.000 0.000 0.297 317 F C 2.305 178.170 175.800 0.108 0.000 1.131 317 F CA 0.146 58.257 58.000 0.185 0.000 1.426 317 F CB -0.144 38.946 39.000 0.150 0.000 1.116 317 F HN -0.174 nan 8.300 nan 0.000 0.583 318 R N 0.693 121.272 120.500 0.131 0.000 2.090 318 R HA -0.119 4.221 4.340 -0.000 0.000 0.228 318 R C 2.326 178.650 176.300 0.040 0.000 1.110 318 R CA 1.066 57.187 56.100 0.035 0.000 0.973 318 R CB -0.179 30.047 30.300 -0.123 0.000 0.869 318 R HN 0.306 nan 8.270 nan 0.000 0.440 319 M N 0.064 119.685 119.600 0.034 0.000 2.132 319 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 319 M C 1.418 177.817 176.300 0.165 0.000 1.065 319 M CA 1.889 57.236 55.300 0.079 0.000 1.122 319 M CB -0.122 32.549 32.600 0.118 0.000 1.365 319 M HN 0.073 nan 8.290 nan 0.000 0.411 320 T N 0.934 115.625 114.554 0.228 0.000 2.720 320 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 320 T C 1.771 176.641 174.700 0.284 0.000 1.037 320 T CA 1.711 63.993 62.100 0.303 0.000 1.144 320 T CB -0.354 68.737 68.868 0.373 0.000 0.864 320 T HN 0.494 nan 8.240 nan 0.000 0.444 321 R N 0.885 121.517 120.500 0.220 0.000 2.120 321 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 321 R C 2.195 178.579 176.300 0.141 0.000 1.123 321 R CA 1.325 57.529 56.100 0.173 0.000 0.975 321 R CB -0.189 30.184 30.300 0.123 0.000 0.866 321 R HN 0.366 nan 8.270 nan 0.000 0.446 322 D N -0.145 120.325 120.400 0.117 0.000 2.149 322 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 322 D C 1.966 178.319 176.300 0.088 0.000 0.972 322 D CA 1.489 55.539 54.000 0.084 0.000 0.835 322 D CB 0.109 40.946 40.800 0.062 0.000 0.966 322 D HN 0.197 nan 8.370 nan 0.000 0.476 323 V N -0.812 119.176 119.914 0.124 0.000 2.591 323 V HA 0.073 4.193 4.120 -0.000 0.000 0.249 323 V C 2.428 178.543 176.094 0.036 0.000 1.053 323 V CA 1.130 63.475 62.300 0.075 0.000 1.068 323 V CB -0.833 31.061 31.823 0.118 0.000 0.689 323 V HN 0.066 nan 8.190 nan 0.000 0.462 324 A N 2.500 125.437 122.820 0.194 0.000 1.882 324 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 324 A C 1.030 178.630 177.584 0.026 0.000 1.253 324 A CA 2.840 55.010 52.037 0.222 0.000 0.664 324 A CB -2.320 16.932 19.000 0.420 0.000 0.838 324 A HN 0.643 nan 8.150 nan 0.000 0.460 325 P HA -0.195 nan 4.420 nan 0.000 0.215 325 P C 1.145 178.382 177.300 -0.105 0.000 1.157 325 P CA 1.431 64.518 63.100 -0.021 0.000 0.868 325 P CB -0.347 31.358 31.700 0.008 0.000 0.788 326 R N 0.286 120.714 120.500 -0.119 0.000 2.261 326 R HA -0.071 4.269 4.340 -0.000 0.000 0.236 326 R C 1.884 177.959 176.300 -0.375 0.000 1.141 326 R CA 1.215 57.201 56.100 -0.190 0.000 1.001 326 R CB -0.727 29.482 30.300 -0.153 0.000 0.866 326 R HN 0.428 nan 8.270 nan 0.000 0.468 327 I N -4.671 115.635 120.570 -0.440 0.000 3.658 327 I HA 0.400 4.570 4.170 -0.000 0.000 0.328 327 I C 0.433 176.121 176.117 -0.716 0.000 1.567 327 I CA -0.124 60.813 61.300 -0.604 0.000 1.078 327 I CB 0.890 38.457 38.000 -0.721 0.000 1.267 327 I HN 0.056 nan 8.210 nan 0.000 0.495 328 G N 1.148 109.688 108.800 -0.435 0.000 2.179 328 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 328 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 328 G C -0.443 174.308 174.900 -0.249 0.000 1.010 328 G CA 0.509 45.407 45.100 -0.338 0.000 0.736 328 G HN 0.510 nan 8.290 nan 0.000 0.513 329 Y N -0.078 120.131 120.300 -0.153 0.000 2.549 329 Y HA 0.646 5.196 4.550 -0.000 0.000 0.339 329 Y C -1.846 174.095 175.900 0.069 0.000 1.053 329 Y CA -3.075 54.978 58.100 -0.079 0.000 1.105 329 Y CB 1.641 39.915 38.460 -0.309 0.000 1.258 329 Y HN -0.014 nan 8.280 nan 0.000 0.478 330 P HA 0.191 nan 4.420 nan 0.000 0.278 330 P C -1.125 176.334 177.300 0.265 0.000 1.238 330 P CA -0.590 62.642 63.100 0.221 0.000 0.794 330 P CB 1.252 33.045 31.700 0.156 0.000 0.955 331 K N 3.261 123.764 120.400 0.173 0.000 2.350 331 K HA 0.230 4.550 4.320 -0.000 0.000 0.279 331 K C -1.787 174.852 176.600 0.066 0.000 1.027 331 K CA -1.367 55.008 56.287 0.147 0.000 0.969 331 K CB -0.133 32.425 32.500 0.098 0.000 0.954 331 K HN 0.440 nan 8.250 nan 0.000 0.474 332 P HA 0.105 nan 4.420 nan 0.000 0.277 332 P C -1.150 176.098 177.300 -0.087 0.000 1.240 332 P CA -0.436 62.617 63.100 -0.080 0.000 0.798 332 P CB 1.231 32.844 31.700 -0.144 0.000 0.979 333 A N 2.632 125.365 122.820 -0.145 0.000 2.293 333 A HA 0.626 4.946 4.320 -0.000 0.000 0.302 333 A C -0.627 176.847 177.584 -0.183 0.000 1.119 333 A CA -0.403 51.548 52.037 -0.143 0.000 0.823 333 A CB 0.077 18.971 19.000 -0.178 0.000 1.097 333 A HN 0.464 nan 8.150 nan 0.000 0.491 334 L N 0.398 121.519 121.223 -0.171 0.000 2.341 334 L HA 0.627 4.967 4.340 -0.000 0.000 0.267 334 L C -0.646 176.069 176.870 -0.259 0.000 1.009 334 L CA 0.012 54.704 54.840 -0.247 0.000 0.819 334 L CB 1.870 43.753 42.059 -0.294 0.000 1.323 334 L HN 0.606 nan 8.230 nan 0.000 0.425 335 L N 2.951 124.054 121.223 -0.199 0.000 2.471 335 L HA 0.420 4.760 4.340 -0.000 0.000 0.263 335 L C -0.999 175.979 176.870 0.181 0.000 0.985 335 L CA -0.697 54.147 54.840 0.007 0.000 0.868 335 L CB 1.070 43.221 42.059 0.152 0.000 1.203 335 L HN 0.532 nan 8.230 nan 0.000 0.429 336 H N 1.291 120.400 119.070 0.064 0.000 2.511 336 H HA 0.502 5.058 4.556 -0.000 0.000 0.346 336 H C 0.051 174.999 175.328 -0.633 0.000 1.128 336 H CA -0.457 55.459 56.048 -0.219 0.000 1.342 336 H CB 1.900 31.392 29.762 -0.449 0.000 1.470 336 H HN 0.529 nan 8.280 nan 0.000 0.546 337 S N 0.551 115.839 115.700 -0.687 0.000 2.566 337 S HA 0.424 4.894 4.470 -0.000 0.000 0.298 337 S C 0.239 174.580 174.600 -0.433 0.000 1.083 337 S CA -0.862 56.672 58.200 -1.110 0.000 0.978 337 S CB 1.726 63.892 63.200 -1.723 0.000 1.073 337 S HN 0.694 nan 8.310 nan 0.000 0.491 338 T N -0.117 114.137 114.554 -0.500 0.000 2.788 338 T HA 0.526 4.876 4.350 -0.000 0.000 0.287 338 T C -0.225 174.275 174.700 -0.333 0.000 1.007 338 T CA -0.468 61.198 62.100 -0.724 0.000 1.005 338 T CB -0.328 67.887 68.868 -1.089 0.000 1.012 338 T HN 0.421 nan 8.240 nan 0.000 0.530 339 F N 0.644 120.604 119.950 0.016 0.000 2.471 339 F HA 0.397 4.924 4.527 -0.000 0.000 0.353 339 F C 0.392 176.224 175.800 0.054 0.000 1.113 339 F CA -1.335 56.706 58.000 0.069 0.000 1.262 339 F CB 0.084 39.137 39.000 0.088 0.000 1.146 339 F HN 0.531 nan 8.300 nan 0.000 0.578 340 F N 5.412 125.378 119.950 0.026 0.000 2.445 340 F HA 0.391 4.918 4.527 -0.000 0.000 0.359 340 F C -2.211 173.502 175.800 -0.145 0.000 1.101 340 F CA -3.110 54.694 58.000 -0.327 0.000 1.177 340 F CB 0.305 39.001 39.000 -0.506 0.000 1.110 340 F HN 0.254 nan 8.300 nan 0.000 0.522 341 P HA 0.105 nan 4.420 nan 0.000 0.266 341 P C -1.027 176.176 177.300 -0.162 0.000 1.195 341 P CA -0.018 62.950 63.100 -0.220 0.000 0.768 341 P CB 0.544 32.161 31.700 -0.139 0.000 0.838 342 A N 2.999 125.757 122.820 -0.104 0.000 2.332 342 A HA 0.184 4.504 4.320 -0.000 0.000 0.258 342 A C 1.470 179.038 177.584 -0.026 0.000 1.087 342 A CA -0.368 51.619 52.037 -0.083 0.000 0.802 342 A CB -0.382 18.549 19.000 -0.116 0.000 1.042 342 A HN 0.635 nan 8.150 nan 0.000 0.489 343 L N 0.174 121.401 121.223 0.007 0.000 2.079 343 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 343 L C 2.449 179.330 176.870 0.019 0.000 1.081 343 L CA 1.261 56.113 54.840 0.019 0.000 0.752 343 L CB -0.339 41.748 42.059 0.047 0.000 0.896 343 L HN 0.755 nan 8.230 nan 0.000 0.433 344 Q N -0.081 119.716 119.800 -0.005 0.000 2.224 344 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 344 Q C 0.996 176.940 176.000 -0.094 0.000 0.970 344 Q CA 1.048 56.853 55.803 0.004 0.000 0.865 344 Q CB -0.207 28.508 28.738 -0.039 0.000 0.922 344 Q HN 0.479 nan 8.270 nan 0.000 0.445 345 G N -1.255 107.458 108.800 -0.146 0.000 2.358 345 G HA2 0.333 4.293 3.960 -0.000 0.000 0.303 345 G HA3 0.333 4.293 3.960 -0.000 0.000 0.303 345 G C -0.367 174.418 174.900 -0.191 0.000 1.537 345 G CA -0.399 44.532 45.100 -0.281 0.000 0.928 345 G HN 0.056 nan 8.290 nan 0.000 0.656 346 A N 0.229 122.950 122.820 -0.165 0.000 2.248 346 A HA 0.084 4.404 4.320 -0.000 0.000 0.210 346 A C 2.038 179.559 177.584 -0.106 0.000 1.174 346 A CA 1.965 53.944 52.037 -0.096 0.000 0.750 346 A CB -0.241 18.734 19.000 -0.041 0.000 0.780 346 A HN 0.862 nan 8.150 nan 0.000 0.478 347 Q N -0.632 119.076 119.800 -0.153 0.000 2.444 347 Q HA 0.049 4.389 4.340 -0.000 0.000 0.206 347 Q C -0.449 175.456 176.000 -0.158 0.000 0.948 347 Q CA 0.742 56.456 55.803 -0.149 0.000 0.946 347 Q CB -0.480 28.163 28.738 -0.158 0.000 1.027 347 Q HN 0.314 nan 8.270 nan 0.000 0.513 348 T N 1.452 115.909 114.554 -0.161 0.000 2.909 348 T HA 0.423 4.773 4.350 -0.000 0.000 0.299 348 T C -0.945 173.640 174.700 -0.192 0.000 1.073 348 T CA -0.974 61.012 62.100 -0.191 0.000 0.999 348 T CB 2.074 70.847 68.868 -0.159 0.000 1.098 348 T HN 0.292 nan 8.240 nan 0.000 0.477 349 K N 1.724 121.960 120.400 -0.274 0.000 2.118 349 K HA 0.588 4.908 4.320 -0.000 0.000 0.264 349 K C 0.283 176.789 176.600 -0.158 0.000 1.000 349 K CA -0.796 55.370 56.287 -0.202 0.000 0.929 349 K CB 0.868 33.173 32.500 -0.326 0.000 1.021 349 K HN 0.604 nan 8.250 nan 0.000 0.463 350 M N 2.551 122.067 119.600 -0.141 0.000 2.303 350 M HA -0.020 4.460 4.480 -0.000 0.000 0.350 350 M C -0.813 175.297 176.300 -0.316 0.000 1.518 350 M CA 0.781 55.905 55.300 -0.294 0.000 1.070 350 M CB 0.374 32.719 32.600 -0.426 0.000 1.910 350 M HN 0.781 nan 8.290 nan 0.000 0.458 351 S N 3.704 119.271 115.700 -0.223 0.000 2.605 351 S HA 0.630 5.100 4.470 -0.000 0.000 0.308 351 S C 0.702 175.328 174.600 0.044 0.000 1.113 351 S CA -0.229 57.959 58.200 -0.019 0.000 1.049 351 S CB 1.480 64.675 63.200 -0.008 0.000 1.001 351 S HN 0.877 nan 8.310 nan 0.000 0.480 352 A N 4.060 127.043 122.820 0.271 0.000 2.084 352 A HA -0.035 4.285 4.320 -0.000 0.000 0.221 352 A C 2.200 179.944 177.584 0.267 0.000 1.161 352 A CA 2.189 54.460 52.037 0.390 0.000 0.653 352 A CB -0.914 18.387 19.000 0.502 0.000 0.802 352 A HN 0.799 nan 8.150 nan 0.000 0.457 353 S N -0.362 115.434 115.700 0.160 0.000 2.359 353 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 353 S C 0.930 175.583 174.600 0.087 0.000 1.039 353 S CA 1.498 59.761 58.200 0.104 0.000 1.042 353 S CB -0.310 62.931 63.200 0.068 0.000 0.915 353 S HN 0.727 nan 8.310 nan 0.000 0.439 354 D N 1.642 122.074 120.400 0.053 0.000 2.485 354 D HA 0.248 4.888 4.640 -0.000 0.000 0.221 354 D C -1.611 174.704 176.300 0.025 0.000 1.112 354 D CA -2.402 51.611 54.000 0.022 0.000 0.911 354 D CB 1.100 41.885 40.800 -0.024 0.000 1.019 354 D HN 0.061 nan 8.370 nan 0.000 0.516 355 P HA -0.142 nan 4.420 nan 0.000 0.226 355 P C 0.825 178.141 177.300 0.027 0.000 1.146 355 P CA 0.608 63.843 63.100 0.224 0.000 0.773 355 P CB 0.420 32.341 31.700 0.369 0.000 0.772 356 N N 0.435 119.097 118.700 -0.063 0.000 2.409 356 N HA -0.085 4.655 4.740 -0.000 0.000 0.179 356 N C 1.626 176.980 175.510 -0.261 0.000 1.032 356 N CA 1.152 54.075 53.050 -0.212 0.000 0.898 356 N CB -0.261 38.095 38.487 -0.219 0.000 0.971 356 N HN 0.096 nan 8.380 nan 0.000 0.441 357 S N -2.359 113.231 115.700 -0.184 0.000 2.535 357 S HA 0.286 4.756 4.470 -0.000 0.000 0.214 357 S C 0.412 174.878 174.600 -0.224 0.000 0.980 357 S CA -0.558 57.539 58.200 -0.171 0.000 0.907 357 S CB 0.237 63.347 63.200 -0.149 0.000 0.790 357 S HN -0.025 nan 8.310 nan 0.000 0.510 358 S N 0.908 116.408 115.700 -0.334 0.000 2.664 358 S HA 0.674 5.144 4.470 -0.000 0.000 0.304 358 S C -0.594 173.716 174.600 -0.483 0.000 1.099 358 S CA -0.790 57.072 58.200 -0.563 0.000 1.003 358 S CB 1.204 63.796 63.200 -1.012 0.000 1.092 358 S HN 0.370 nan 8.310 nan 0.000 0.525 359 I N 2.440 122.744 120.570 -0.444 0.000 2.495 359 I HA 0.310 4.480 4.170 -0.000 0.000 0.277 359 I C -1.192 174.771 176.117 -0.255 0.000 1.045 359 I CA -0.295 60.870 61.300 -0.225 0.000 1.135 359 I CB 0.522 38.483 38.000 -0.064 0.000 1.241 359 I HN 0.482 nan 8.210 nan 0.000 0.469 360 F N 4.949 124.903 119.950 0.007 0.000 2.459 360 F HA 0.172 4.699 4.527 -0.000 0.000 0.346 360 F C 1.495 177.264 175.800 -0.052 0.000 1.128 360 F CA -0.432 57.569 58.000 0.002 0.000 1.268 360 F CB 0.687 39.692 39.000 0.008 0.000 1.161 360 F HN 0.363 nan 8.300 nan 0.000 0.583 361 L N 0.997 122.283 121.223 0.105 0.000 2.633 361 L HA -0.083 4.257 4.340 -0.000 0.000 0.235 361 L C 1.574 178.456 176.870 0.019 0.000 1.163 361 L CA 0.790 55.587 54.840 -0.073 0.000 0.859 361 L CB -0.766 41.132 42.059 -0.270 0.000 0.973 361 L HN 0.746 nan 8.230 nan 0.000 0.451 362 T N -1.998 112.610 114.554 0.091 0.000 3.084 362 T HA 0.081 4.431 4.350 -0.000 0.000 0.270 362 T C 0.386 175.127 174.700 0.068 0.000 1.008 362 T CA -0.428 61.709 62.100 0.062 0.000 0.900 362 T CB 0.001 68.883 68.868 0.023 0.000 1.084 362 T HN 0.067 nan 8.240 nan 0.000 0.538 363 D N 2.814 123.277 120.400 0.104 0.000 2.372 363 D HA 0.199 4.839 4.640 -0.000 0.000 0.243 363 D C 0.754 177.088 176.300 0.056 0.000 1.121 363 D CA 0.333 54.392 54.000 0.098 0.000 0.898 363 D CB 1.450 42.323 40.800 0.121 0.000 1.202 363 D HN 0.368 nan 8.370 nan 0.000 0.428 364 T N -1.657 112.927 114.554 0.049 0.000 2.882 364 T HA 0.432 4.782 4.350 -0.000 0.000 0.287 364 T C 1.382 176.101 174.700 0.032 0.000 1.014 364 T CA -0.340 61.781 62.100 0.035 0.000 1.049 364 T CB 1.378 70.265 68.868 0.031 0.000 1.001 364 T HN 0.274 nan 8.240 nan 0.000 0.525 365 A N 1.895 124.730 122.820 0.024 0.000 1.927 365 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 365 A C 2.645 180.244 177.584 0.025 0.000 1.185 365 A CA 2.834 54.883 52.037 0.021 0.000 0.639 365 A CB -1.798 17.212 19.000 0.016 0.000 0.820 365 A HN 1.241 nan 8.150 nan 0.000 0.451 366 K N -0.578 119.838 120.400 0.026 0.000 2.002 366 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 366 K C 2.031 178.653 176.600 0.037 0.000 1.048 366 K CA 1.878 58.181 56.287 0.027 0.000 0.930 366 K CB -1.034 31.481 32.500 0.025 0.000 0.714 366 K HN 0.776 nan 8.250 nan 0.000 0.438 367 Q N -0.252 119.575 119.800 0.045 0.000 2.135 367 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 367 Q C 2.317 178.357 176.000 0.067 0.000 0.981 367 Q CA 1.689 57.529 55.803 0.062 0.000 0.856 367 Q CB -0.493 28.289 28.738 0.073 0.000 0.902 367 Q HN 0.661 nan 8.270 nan 0.000 0.425 368 I N 0.866 121.469 120.570 0.055 0.000 2.179 368 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 368 I C 2.573 178.722 176.117 0.054 0.000 1.088 368 I CA 1.239 62.571 61.300 0.053 0.000 1.357 368 I CB -0.385 37.635 38.000 0.034 0.000 1.051 368 I HN 0.176 nan 8.210 nan 0.000 0.409 369 K N 0.776 121.200 120.400 0.041 0.000 2.009 369 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 369 K C 2.245 178.863 176.600 0.031 0.000 1.049 369 K CA 2.306 58.612 56.287 0.032 0.000 0.929 369 K CB -0.305 32.208 32.500 0.022 0.000 0.714 369 K HN 0.326 nan 8.250 nan 0.000 0.440 370 T N -0.336 114.240 114.554 0.036 0.000 2.915 370 T HA -0.046 4.303 4.350 -0.000 0.000 0.269 370 T C 1.666 176.399 174.700 0.056 0.000 1.071 370 T CA 1.090 63.208 62.100 0.030 0.000 1.132 370 T CB -0.037 68.850 68.868 0.033 0.000 0.878 370 T HN 0.244 nan 8.240 nan 0.000 0.479 371 K N 0.229 120.690 120.400 0.102 0.000 2.062 371 K HA 0.029 4.349 4.320 -0.000 0.000 0.205 371 K C 2.311 178.992 176.600 0.135 0.000 1.051 371 K CA 1.156 57.552 56.287 0.182 0.000 0.941 371 K CB -0.324 32.264 32.500 0.147 0.000 0.719 371 K HN 0.245 nan 8.250 nan 0.000 0.440 372 V N 2.350 122.313 119.914 0.081 0.000 2.244 372 V HA -0.259 3.861 4.120 -0.000 0.000 0.244 372 V C 1.935 178.029 176.094 0.000 0.000 1.042 372 V CA 1.719 64.047 62.300 0.046 0.000 1.006 372 V CB -0.531 31.319 31.823 0.044 0.000 0.641 372 V HN 0.319 nan 8.190 nan 0.000 0.446 373 N N 0.659 119.351 118.700 -0.012 0.000 2.069 373 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 373 N C 1.912 177.369 175.510 -0.089 0.000 1.031 373 N CA 2.334 55.357 53.050 -0.045 0.000 0.852 373 N CB -0.358 38.108 38.487 -0.036 0.000 1.018 373 N HN 0.626 nan 8.380 nan 0.000 0.423 374 K N 0.452 120.771 120.400 -0.136 0.000 2.243 374 K HA 0.018 4.338 4.320 -0.000 0.000 0.201 374 K C 1.569 177.890 176.600 -0.465 0.000 1.051 374 K CA 0.932 57.029 56.287 -0.316 0.000 0.970 374 K CB -0.494 31.752 32.500 -0.424 0.000 0.755 374 K HN 0.404 nan 8.250 nan 0.000 0.465 375 H N -1.345 117.725 119.070 -0.000 0.000 3.058 375 H HA 0.406 4.962 4.556 -0.000 0.000 0.258 375 H C 0.581 175.911 175.328 0.003 0.000 1.015 375 H CA 0.186 56.238 56.048 0.008 0.000 1.210 375 H CB 0.388 30.157 29.762 0.012 0.000 1.481 375 H HN 0.433 nan 8.280 nan 0.000 0.492 376 A N 2.193 125.049 122.820 0.060 0.000 2.515 376 A HA 0.066 4.385 4.320 -0.000 0.000 0.263 376 A C -0.231 177.361 177.584 0.013 0.000 1.096 376 A CA -0.143 51.883 52.037 -0.018 0.000 0.769 376 A CB -1.080 17.853 19.000 -0.111 0.000 1.040 376 A HN 0.264 nan 8.150 nan 0.000 0.505 377 F N 3.677 123.579 119.950 -0.080 0.000 2.607 377 F HA 0.275 4.802 4.527 -0.000 0.000 0.374 377 F C 0.867 176.642 175.800 -0.043 0.000 1.104 377 F CA 1.156 59.126 58.000 -0.051 0.000 1.296 377 F CB 0.655 39.625 39.000 -0.049 0.000 1.085 377 F HN 0.468 nan 8.300 nan 0.000 0.584 378 S N 3.558 118.767 115.700 -0.819 0.000 2.475 378 S HA 0.556 5.026 4.470 -0.000 0.000 0.298 378 S C 0.686 174.954 174.600 -0.553 0.000 1.119 378 S CA -0.159 57.747 58.200 -0.491 0.000 1.085 378 S CB 1.222 64.239 63.200 -0.304 0.000 1.028 378 S HN 0.964 nan 8.310 nan 0.000 0.489 379 G N 2.908 111.663 108.800 -0.074 0.000 3.088 379 G HA2 0.381 4.341 3.960 -0.000 0.000 0.217 379 G HA3 0.381 4.341 3.960 -0.000 0.000 0.217 379 G C 0.624 175.550 174.900 0.043 0.000 1.159 379 G CA 0.054 45.184 45.100 0.049 0.000 0.760 379 G HN 0.886 nan 8.290 nan 0.000 0.550 380 G N -0.050 108.779 108.800 0.048 0.000 2.621 380 G HA2 0.462 4.422 3.960 -0.000 0.000 0.271 380 G HA3 0.462 4.422 3.960 -0.000 0.000 0.271 380 G C -0.073 174.843 174.900 0.028 0.000 1.236 380 G CA -0.666 44.458 45.100 0.040 0.000 0.958 380 G HN 0.078 nan 8.290 nan 0.000 0.512 381 R N -0.564 120.040 120.500 0.173 0.000 2.543 381 R HA 0.215 4.555 4.340 -0.000 0.000 0.268 381 R C 0.973 177.276 176.300 0.006 0.000 1.067 381 R CA -0.834 55.310 56.100 0.072 0.000 1.142 381 R CB 0.625 31.003 30.300 0.131 0.000 1.110 381 R HN 0.505 nan 8.270 nan 0.000 0.549 382 D N 0.291 120.684 120.400 -0.013 0.000 2.104 382 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 382 D C 0.646 176.935 176.300 -0.018 0.000 0.994 382 D CA 1.760 55.743 54.000 -0.029 0.000 0.830 382 D CB -0.005 40.779 40.800 -0.026 0.000 0.959 382 D HN 0.628 nan 8.370 nan 0.000 0.452 383 T N -1.903 112.658 114.554 0.011 0.000 2.945 383 T HA 0.439 4.789 4.350 -0.000 0.000 0.286 383 T C 1.666 176.388 174.700 0.037 0.000 1.025 383 T CA -0.896 61.213 62.100 0.014 0.000 1.039 383 T CB 1.744 70.626 68.868 0.023 0.000 1.068 383 T HN 0.131 nan 8.240 nan 0.000 0.497 384 I N -0.918 119.665 120.570 0.022 0.000 2.493 384 I HA -0.011 4.159 4.170 -0.000 0.000 0.254 384 I C 2.217 178.377 176.117 0.071 0.000 1.160 384 I CA 1.219 62.545 61.300 0.044 0.000 1.445 384 I CB -0.426 37.581 38.000 0.012 0.000 1.086 384 I HN 0.874 nan 8.210 nan 0.000 0.433 385 E N 1.998 122.226 120.200 0.047 0.000 2.031 385 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 385 E C 2.034 178.666 176.600 0.052 0.000 0.994 385 E CA 1.748 58.167 56.400 0.033 0.000 0.800 385 E CB -0.131 29.584 29.700 0.025 0.000 0.752 385 E HN 0.661 nan 8.360 nan 0.000 0.447 386 E N -0.868 119.400 120.200 0.113 0.000 2.204 386 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 386 E C 1.989 178.713 176.600 0.207 0.000 0.990 386 E CA 1.073 57.613 56.400 0.233 0.000 0.821 386 E CB -0.148 29.688 29.700 0.227 0.000 0.750 386 E HN 0.378 nan 8.360 nan 0.000 0.477 387 H N 0.722 119.811 119.070 0.032 0.000 2.326 387 H HA 0.019 4.575 4.556 -0.000 0.000 0.301 387 H C 1.969 177.258 175.328 -0.065 0.000 1.081 387 H CA 1.331 57.359 56.048 -0.033 0.000 1.334 387 H CB 0.316 30.036 29.762 -0.070 0.000 1.385 387 H HN -0.115 nan 8.280 nan 0.000 0.504 388 R N 0.316 120.809 120.500 -0.013 0.000 2.096 388 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 388 R C 2.339 178.524 176.300 -0.191 0.000 1.127 388 R CA 1.495 57.541 56.100 -0.090 0.000 0.968 388 R CB -0.555 29.720 30.300 -0.042 0.000 0.861 388 R HN 0.588 nan 8.270 nan 0.000 0.440 389 Q N -0.797 118.858 119.800 -0.241 0.000 2.062 389 Q HA -0.033 4.307 4.340 -0.000 0.000 0.196 389 Q C 1.145 176.755 176.000 -0.649 0.000 0.967 389 Q CA 1.249 56.753 55.803 -0.498 0.000 0.832 389 Q CB 0.167 28.467 28.738 -0.730 0.000 0.899 389 Q HN 0.274 nan 8.270 nan 0.000 0.442 390 F N -0.563 119.292 119.950 -0.158 0.000 2.717 390 F HA 0.364 4.891 4.527 -0.000 0.000 0.295 390 F C 1.057 176.704 175.800 -0.255 0.000 1.117 390 F CA 0.370 58.269 58.000 -0.169 0.000 1.361 390 F CB 0.745 39.667 39.000 -0.129 0.000 1.112 390 F HN 0.199 nan 8.300 nan 0.000 0.594 391 G N 0.382 109.013 108.800 -0.282 0.000 2.781 391 G HA2 0.134 4.094 3.960 -0.000 0.000 0.683 391 G HA3 0.134 4.094 3.960 -0.000 0.000 0.683 391 G C 0.018 174.577 174.900 -0.568 0.000 1.390 391 G CA -0.824 43.956 45.100 -0.533 0.000 0.850 391 G HN 0.588 nan 8.290 nan 0.000 0.557 392 G N -0.862 107.490 108.800 -0.747 0.000 2.502 392 G HA2 0.571 4.531 3.960 -0.000 0.000 0.305 392 G HA3 0.571 4.531 3.960 -0.000 0.000 0.305 392 G C 0.015 174.750 174.900 -0.275 0.000 1.190 392 G CA 0.059 44.815 45.100 -0.573 0.000 0.933 392 G HN 1.003 nan 8.290 nan 0.000 0.503 393 N N 0.140 118.791 118.700 -0.082 0.000 2.558 393 N HA 0.162 4.902 4.740 -0.000 0.000 0.242 393 N C 0.959 176.534 175.510 0.108 0.000 0.979 393 N CA -0.850 52.205 53.050 0.009 0.000 0.931 393 N CB 0.712 39.214 38.487 0.025 0.000 1.122 393 N HN 0.305 nan 8.380 nan 0.000 0.508 394 C N 1.813 121.134 119.300 0.035 0.000 2.432 394 C HA -0.059 4.401 4.460 -0.000 0.000 0.280 394 C C 1.764 176.832 174.990 0.130 0.000 1.353 394 C CA 0.317 59.311 59.018 -0.040 0.000 1.766 394 C CB -0.685 26.731 27.740 -0.540 0.000 1.924 394 C HN 0.752 nan 8.230 nan 0.000 0.509 395 D N 0.789 121.248 120.400 0.098 0.000 2.309 395 D HA -0.087 4.553 4.640 -0.000 0.000 0.212 395 D C 1.825 178.203 176.300 0.130 0.000 0.968 395 D CA 1.595 55.664 54.000 0.115 0.000 0.882 395 D CB -0.044 40.797 40.800 0.068 0.000 0.918 395 D HN 0.590 nan 8.370 nan 0.000 0.503 396 V N -2.950 117.061 119.914 0.162 0.000 3.398 396 V HA 0.174 4.294 4.120 -0.000 0.000 0.298 396 V C 0.297 176.570 176.094 0.298 0.000 1.496 396 V CA -0.523 61.896 62.300 0.198 0.000 1.044 396 V CB 0.807 32.768 31.823 0.229 0.000 0.880 396 V HN -0.198 nan 8.190 nan 0.000 0.443 397 D N 1.115 121.667 120.400 0.253 0.000 2.336 397 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 397 D C 1.222 177.603 176.300 0.136 0.000 1.213 397 D CA 0.247 54.377 54.000 0.217 0.000 0.870 397 D CB 2.174 43.096 40.800 0.205 0.000 1.076 397 D HN 0.081 nan 8.370 nan 0.000 0.483 398 V N 3.728 123.681 119.914 0.065 0.000 2.332 398 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 398 V C 2.489 178.332 176.094 -0.419 0.000 1.055 398 V CA 1.519 63.709 62.300 -0.183 0.000 1.038 398 V CB -0.406 31.272 31.823 -0.241 0.000 0.651 398 V HN 0.539 nan 8.190 nan 0.000 0.450 399 S N -0.462 115.061 115.700 -0.296 0.000 2.382 399 S HA -0.191 4.279 4.470 -0.000 0.000 0.228 399 S C 1.766 176.315 174.600 -0.085 0.000 1.027 399 S CA 1.817 59.860 58.200 -0.262 0.000 0.991 399 S CB -0.427 62.672 63.200 -0.167 0.000 0.823 399 S HN 0.622 nan 8.310 nan 0.000 0.469 400 F N 2.036 121.886 119.950 -0.166 0.000 2.206 400 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 400 F C 2.024 177.845 175.800 0.034 0.000 1.090 400 F CA 1.120 59.066 58.000 -0.089 0.000 1.323 400 F CB -0.417 38.517 39.000 -0.110 0.000 1.028 400 F HN 0.117 nan 8.300 nan 0.000 0.492 401 M N -1.218 118.388 119.600 0.010 0.000 2.159 401 M HA -0.257 4.223 4.480 -0.000 0.000 0.263 401 M C 1.960 178.406 176.300 0.243 0.000 1.063 401 M CA 1.497 56.829 55.300 0.053 0.000 1.110 401 M CB -0.783 31.889 32.600 0.120 0.000 1.374 401 M HN 0.107 nan 8.290 nan 0.000 0.411 402 Y N 0.697 120.994 120.300 -0.005 0.000 2.224 402 Y HA -0.125 4.425 4.550 -0.000 0.000 0.289 402 Y C 2.186 178.224 175.900 0.229 0.000 1.146 402 Y CA 0.900 59.089 58.100 0.148 0.000 1.182 402 Y CB -1.083 37.484 38.460 0.177 0.000 0.983 402 Y HN 0.210 nan 8.280 nan 0.000 0.524 403 L N -1.092 120.242 121.223 0.184 0.000 2.083 403 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 403 L C 2.256 179.105 176.870 -0.035 0.000 1.083 403 L CA 1.674 56.544 54.840 0.051 0.000 0.752 403 L CB -0.956 41.021 42.059 -0.135 0.000 0.899 403 L HN 0.136 nan 8.230 nan 0.000 0.433 404 T N -0.290 114.152 114.554 -0.187 0.000 2.778 404 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 404 T C 1.510 176.178 174.700 -0.054 0.000 1.050 404 T CA 1.610 63.585 62.100 -0.208 0.000 1.137 404 T CB -0.252 68.439 68.868 -0.295 0.000 0.860 404 T HN 0.150 nan 8.240 nan 0.000 0.468 405 F N -0.692 119.229 119.950 -0.048 0.000 2.387 405 F HA 0.270 4.797 4.527 -0.000 0.000 0.294 405 F C 1.399 177.120 175.800 -0.131 0.000 1.093 405 F CA 0.376 58.321 58.000 -0.091 0.000 1.420 405 F CB -0.010 38.720 39.000 -0.450 0.000 1.086 405 F HN 0.129 nan 8.300 nan 0.000 0.531 406 F N -1.337 118.872 119.950 0.432 0.000 2.706 406 F HA 0.293 4.820 4.527 -0.000 0.000 0.308 406 F C 0.284 176.122 175.800 0.064 0.000 1.095 406 F CA -0.464 57.691 58.000 0.259 0.000 1.244 406 F CB 0.005 39.137 39.000 0.219 0.000 1.063 406 F HN -0.313 nan 8.300 nan 0.000 0.582 407 L N 1.049 122.348 121.223 0.126 0.000 2.282 407 L HA 0.297 4.637 4.340 -0.000 0.000 0.287 407 L C 1.166 177.920 176.870 -0.195 0.000 1.075 407 L CA -0.082 54.756 54.840 -0.003 0.000 0.839 407 L CB 0.300 42.356 42.059 -0.004 0.000 1.219 407 L HN 0.002 nan 8.230 nan 0.000 0.434 408 E N 1.814 121.866 120.200 -0.246 0.000 2.023 408 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 408 E C 0.275 176.698 176.600 -0.295 0.000 1.003 408 E CA 1.463 57.605 56.400 -0.430 0.000 0.809 408 E CB 0.052 29.601 29.700 -0.251 0.000 0.755 408 E HN 0.736 nan 8.360 nan 0.000 0.449 409 D N 0.702 121.009 120.400 -0.154 0.000 2.479 409 D HA -0.118 4.522 4.640 -0.000 0.000 0.257 409 D C 0.101 176.353 176.300 -0.080 0.000 1.230 409 D CA 0.253 54.197 54.000 -0.094 0.000 0.912 409 D CB 0.453 41.224 40.800 -0.049 0.000 1.130 409 D HN 0.160 nan 8.370 nan 0.000 0.515 410 D N 3.358 123.716 120.400 -0.069 0.000 2.117 410 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 410 D C 1.076 177.372 176.300 -0.006 0.000 0.982 410 D CA 0.822 54.798 54.000 -0.040 0.000 0.828 410 D CB 0.336 41.117 40.800 -0.031 0.000 0.967 410 D HN 0.563 nan 8.370 nan 0.000 0.464 411 D N 0.996 121.394 120.400 -0.005 0.000 2.084 411 D HA -0.144 4.495 4.640 -0.000 0.000 0.194 411 D C 1.965 178.279 176.300 0.023 0.000 0.990 411 D CA 0.786 54.792 54.000 0.011 0.000 0.826 411 D CB -0.174 40.630 40.800 0.007 0.000 0.971 411 D HN 0.203 nan 8.370 nan 0.000 0.453 412 K N 0.469 120.878 120.400 0.015 0.000 2.103 412 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 412 K C 2.231 178.863 176.600 0.053 0.000 1.048 412 K CA 0.717 57.021 56.287 0.028 0.000 0.930 412 K CB -0.191 32.319 32.500 0.016 0.000 0.716 412 K HN -0.008 nan 8.250 nan 0.000 0.444 413 L N 1.548 122.800 121.223 0.047 0.000 2.046 413 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 413 L C 2.244 179.215 176.870 0.169 0.000 1.077 413 L CA 1.956 56.850 54.840 0.091 0.000 0.747 413 L CB -0.530 41.545 42.059 0.027 0.000 0.896 413 L HN 0.220 nan 8.230 nan 0.000 0.432 414 E N -0.744 119.525 120.200 0.115 0.000 2.085 414 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 414 E C 2.175 178.833 176.600 0.097 0.000 0.994 414 E CA 1.383 57.849 56.400 0.111 0.000 0.801 414 E CB -0.288 29.452 29.700 0.067 0.000 0.743 414 E HN 0.459 nan 8.360 nan 0.000 0.453 415 Q N 0.249 120.096 119.800 0.078 0.000 2.002 415 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 415 Q C 2.494 178.546 176.000 0.086 0.000 0.988 415 Q CA 1.739 57.581 55.803 0.066 0.000 0.843 415 Q CB -0.540 28.230 28.738 0.054 0.000 0.908 415 Q HN 0.447 nan 8.270 nan 0.000 0.420 416 I N 0.239 120.882 120.570 0.120 0.000 2.151 416 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 416 I C 2.730 178.926 176.117 0.131 0.000 1.080 416 I CA 1.476 62.866 61.300 0.151 0.000 1.339 416 I CB -0.397 37.724 38.000 0.202 0.000 1.039 416 I HN 0.245 nan 8.210 nan 0.000 0.409 417 R N 1.455 122.044 120.500 0.148 0.000 2.094 417 R HA -0.238 4.102 4.340 -0.000 0.000 0.239 417 R C 2.326 178.592 176.300 -0.056 0.000 1.137 417 R CA 1.976 58.013 56.100 -0.106 0.000 0.943 417 R CB -0.131 30.181 30.300 0.020 0.000 0.850 417 R HN 0.288 nan 8.270 nan 0.000 0.433 418 K N -0.007 120.398 120.400 0.009 0.000 2.026 418 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 418 K C 1.836 178.441 176.600 0.008 0.000 1.048 418 K CA 1.816 58.104 56.287 0.001 0.000 0.929 418 K CB -0.122 32.386 32.500 0.013 0.000 0.713 418 K HN 0.255 nan 8.250 nan 0.000 0.439 419 D N -0.305 120.122 120.400 0.044 0.000 2.178 419 D HA -0.162 4.477 4.640 -0.000 0.000 0.201 419 D C 1.713 178.072 176.300 0.097 0.000 0.980 419 D CA 0.999 55.035 54.000 0.059 0.000 0.842 419 D CB -0.139 40.708 40.800 0.079 0.000 0.948 419 D HN 0.170 nan 8.370 nan 0.000 0.472 420 Y N 1.513 121.790 120.300 -0.039 0.000 2.220 420 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 420 Y C 2.351 178.198 175.900 -0.089 0.000 1.129 420 Y CA 1.314 59.401 58.100 -0.020 0.000 1.161 420 Y CB -0.404 38.009 38.460 -0.078 0.000 0.997 420 Y HN -0.123 nan 8.280 nan 0.000 0.522 421 T N -0.777 113.731 114.554 -0.077 0.000 2.788 421 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 421 T C 2.011 176.599 174.700 -0.187 0.000 1.044 421 T CA 1.694 63.697 62.100 -0.163 0.000 1.139 421 T CB -0.503 68.303 68.868 -0.103 0.000 0.867 421 T HN 0.508 nan 8.240 nan 0.000 0.454 422 S N 0.176 115.794 115.700 -0.137 0.000 2.562 422 S HA 0.306 4.776 4.470 -0.000 0.000 0.221 422 S C 1.903 176.391 174.600 -0.188 0.000 0.975 422 S CA 0.792 58.912 58.200 -0.133 0.000 0.918 422 S CB -0.272 62.881 63.200 -0.078 0.000 0.772 422 S HN 0.702 nan 8.310 nan 0.000 0.531 423 G N 0.610 109.249 108.800 -0.269 0.000 2.176 423 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 423 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 423 G C 1.020 175.871 174.900 -0.082 0.000 0.979 423 G CA 0.165 45.061 45.100 -0.340 0.000 0.641 423 G HN 1.277 nan 8.290 nan 0.000 0.530 424 A N -0.725 122.073 122.820 -0.036 0.000 2.070 424 A HA 0.496 4.816 4.320 -0.000 0.000 0.220 424 A C 1.342 178.971 177.584 0.076 0.000 1.159 424 A CA 1.895 53.941 52.037 0.015 0.000 0.656 424 A CB -0.037 18.969 19.000 0.010 0.000 0.800 424 A HN 1.160 nan 8.150 nan 0.000 0.453 425 M N 0.458 120.143 119.600 0.142 0.000 2.243 425 M HA 0.543 5.023 4.480 -0.000 0.000 0.324 425 M C -1.481 175.025 176.300 0.343 0.000 1.031 425 M CA -0.592 54.839 55.300 0.218 0.000 0.949 425 M CB 1.140 33.890 32.600 0.251 0.000 1.615 425 M HN 0.138 nan 8.290 nan 0.000 0.430 426 L N 2.970 124.312 121.223 0.197 0.000 2.439 426 L HA 0.299 4.639 4.340 -0.000 0.000 0.261 426 L C 1.729 178.622 176.870 0.039 0.000 1.153 426 L CA -0.280 54.565 54.840 0.008 0.000 0.808 426 L CB 1.373 43.418 42.059 -0.024 0.000 1.126 426 L HN 0.901 nan 8.230 nan 0.000 0.460 427 T N -1.301 113.165 114.554 -0.146 0.000 2.833 427 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 427 T C 1.684 176.371 174.700 -0.022 0.000 1.054 427 T CA 1.257 63.401 62.100 0.073 0.000 1.135 427 T CB -0.430 68.427 68.868 -0.019 0.000 0.869 427 T HN 0.797 nan 8.240 nan 0.000 0.466 428 G N 1.082 109.850 108.800 -0.053 0.000 2.440 428 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 428 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 428 G C 1.533 176.424 174.900 -0.015 0.000 1.154 428 G CA 0.858 45.935 45.100 -0.038 0.000 0.767 428 G HN 0.680 nan 8.290 nan 0.000 0.552 429 E N -0.260 119.944 120.200 0.007 0.000 2.158 429 E HA 0.101 4.451 4.350 -0.000 0.000 0.191 429 E C 2.375 178.983 176.600 0.013 0.000 0.982 429 E CA -0.035 56.378 56.400 0.021 0.000 0.823 429 E CB -0.087 29.640 29.700 0.045 0.000 0.766 429 E HN 0.362 nan 8.360 nan 0.000 0.468 430 L N 1.150 122.370 121.223 -0.006 0.000 1.994 430 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 430 L C 2.211 179.045 176.870 -0.060 0.000 1.071 430 L CA 1.489 56.279 54.840 -0.082 0.000 0.745 430 L CB -0.076 41.795 42.059 -0.315 0.000 0.892 430 L HN 0.001 nan 8.230 nan 0.000 0.431 431 K N 0.492 120.855 120.400 -0.061 0.000 2.034 431 K HA -0.298 4.022 4.320 -0.000 0.000 0.214 431 K C 2.082 178.676 176.600 -0.011 0.000 1.051 431 K CA 2.135 58.397 56.287 -0.041 0.000 0.931 431 K CB -0.344 32.130 32.500 -0.042 0.000 0.715 431 K HN 0.177 nan 8.250 nan 0.000 0.446 432 K N -0.301 120.095 120.400 -0.006 0.000 2.074 432 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 432 K C 1.963 178.573 176.600 0.016 0.000 1.048 432 K CA 1.624 57.915 56.287 0.006 0.000 0.926 432 K CB -0.245 32.259 32.500 0.007 0.000 0.713 432 K HN 0.207 nan 8.250 nan 0.000 0.444 433 A N 1.170 124.001 122.820 0.018 0.000 1.877 433 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 433 A C 2.060 179.669 177.584 0.041 0.000 1.186 433 A CA 1.483 53.538 52.037 0.030 0.000 0.620 433 A CB -0.664 18.356 19.000 0.034 0.000 0.822 433 A HN 0.410 nan 8.150 nan 0.000 0.443 434 L N 0.182 121.431 121.223 0.043 0.000 2.017 434 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 434 L C 2.198 179.113 176.870 0.076 0.000 1.073 434 L CA 1.832 56.720 54.840 0.079 0.000 0.745 434 L CB -0.482 41.625 42.059 0.080 0.000 0.894 434 L HN 0.443 nan 8.230 nan 0.000 0.432 435 I N -0.600 120.001 120.570 0.051 0.000 2.335 435 I HA -0.282 3.888 4.170 -0.000 0.000 0.251 435 I C 2.185 178.320 176.117 0.031 0.000 1.129 435 I CA 1.319 62.644 61.300 0.042 0.000 1.402 435 I CB -0.396 37.621 38.000 0.029 0.000 1.069 435 I HN 0.392 nan 8.210 nan 0.000 0.424 436 E N -0.018 120.200 120.200 0.030 0.000 2.427 436 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 436 E C 2.115 178.730 176.600 0.024 0.000 1.028 436 E CA 0.450 56.864 56.400 0.024 0.000 0.864 436 E CB 0.351 30.065 29.700 0.024 0.000 0.813 436 E HN 0.303 nan 8.360 nan 0.000 0.514 437 V N 0.395 120.331 119.914 0.036 0.000 2.492 437 V HA -0.111 4.009 4.120 -0.000 0.000 0.241 437 V C 2.011 178.099 176.094 -0.009 0.000 1.041 437 V CA 0.830 63.152 62.300 0.037 0.000 1.057 437 V CB -0.087 31.790 31.823 0.090 0.000 0.711 437 V HN 0.249 nan 8.190 nan 0.000 0.468 438 L N -0.458 120.756 121.223 -0.014 0.000 2.056 438 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 438 L C 2.623 179.448 176.870 -0.074 0.000 1.078 438 L CA 1.587 56.373 54.840 -0.091 0.000 0.749 438 L CB -0.601 41.435 42.059 -0.038 0.000 0.901 438 L HN 0.365 nan 8.230 nan 0.000 0.433 439 Q N -0.232 119.553 119.800 -0.026 0.000 2.112 439 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 439 Q C -0.523 175.465 176.000 -0.020 0.000 0.987 439 Q CA 2.071 57.864 55.803 -0.016 0.000 0.858 439 Q CB -0.774 27.965 28.738 0.001 0.000 0.905 439 Q HN 0.464 nan 8.270 nan 0.000 0.420 440 P HA -0.133 nan 4.420 nan 0.000 0.219 440 P C 1.440 178.726 177.300 -0.024 0.000 1.154 440 P CA 0.839 63.932 63.100 -0.012 0.000 0.826 440 P CB -0.025 31.673 31.700 -0.003 0.000 0.795 441 L N 0.192 121.378 121.223 -0.062 0.000 1.971 441 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 441 L C 2.488 179.316 176.870 -0.071 0.000 1.072 441 L CA 2.065 56.844 54.840 -0.100 0.000 0.758 441 L CB -1.349 40.547 42.059 -0.271 0.000 0.889 441 L HN -0.223 nan 8.230 nan 0.000 0.433 442 I N -0.273 120.239 120.570 -0.097 0.000 2.315 442 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 442 I C 2.606 178.735 176.117 0.020 0.000 1.117 442 I CA 1.037 62.300 61.300 -0.061 0.000 1.404 442 I CB -0.622 37.327 38.000 -0.085 0.000 1.071 442 I HN 0.447 nan 8.210 nan 0.000 0.419 443 A N 0.046 122.872 122.820 0.010 0.000 1.930 443 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 443 A C 2.334 179.938 177.584 0.034 0.000 1.175 443 A CA 1.292 53.344 52.037 0.024 0.000 0.627 443 A CB -0.403 18.604 19.000 0.012 0.000 0.815 443 A HN 0.325 nan 8.150 nan 0.000 0.443 444 E N -0.433 119.786 120.200 0.031 0.000 2.051 444 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 444 E C 1.933 178.558 176.600 0.042 0.000 0.991 444 E CA 1.279 57.696 56.400 0.028 0.000 0.799 444 E CB -0.479 29.235 29.700 0.024 0.000 0.748 444 E HN 0.790 nan 8.360 nan 0.000 0.449 445 H N 1.028 120.079 119.070 -0.032 0.000 2.353 445 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 445 H C 1.880 177.191 175.328 -0.029 0.000 1.090 445 H CA 1.887 57.916 56.048 -0.033 0.000 1.327 445 H CB 0.272 30.009 29.762 -0.041 0.000 1.383 445 H HN 0.255 nan 8.280 nan 0.000 0.508 446 Q N -0.053 119.838 119.800 0.152 0.000 2.119 446 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 446 Q C 2.574 178.571 176.000 -0.006 0.000 0.972 446 Q CA 1.113 56.968 55.803 0.086 0.000 0.847 446 Q CB -0.065 28.721 28.738 0.080 0.000 0.903 446 Q HN 0.494 nan 8.270 nan 0.000 0.433 447 A N 1.358 124.172 122.820 -0.009 0.000 1.902 447 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 447 A C 2.068 179.620 177.584 -0.053 0.000 1.181 447 A CA 1.056 53.080 52.037 -0.022 0.000 0.623 447 A CB -0.240 18.753 19.000 -0.010 0.000 0.818 447 A HN 0.110 nan 8.150 nan 0.000 0.443 448 R N -0.475 119.969 120.500 -0.092 0.000 2.073 448 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 448 R C 2.305 178.514 176.300 -0.151 0.000 1.134 448 R CA 1.583 57.609 56.100 -0.124 0.000 0.952 448 R CB -0.885 29.309 30.300 -0.177 0.000 0.850 448 R HN 0.673 nan 8.270 nan 0.000 0.433 449 R N 1.270 121.638 120.500 -0.220 0.000 2.091 449 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 449 R C 2.137 178.383 176.300 -0.090 0.000 1.136 449 R CA 1.765 57.754 56.100 -0.184 0.000 0.959 449 R CB -0.125 30.070 30.300 -0.176 0.000 0.856 449 R HN 0.084 nan 8.270 nan 0.000 0.437 450 K N 0.400 120.763 120.400 -0.060 0.000 2.280 450 K HA -0.161 4.159 4.320 -0.000 0.000 0.202 450 K C 1.521 178.106 176.600 -0.025 0.000 1.047 450 K CA 1.536 57.804 56.287 -0.031 0.000 0.942 450 K CB 0.114 32.603 32.500 -0.018 0.000 0.739 450 K HN 0.312 nan 8.250 nan 0.000 0.457 451 E N 0.158 120.338 120.200 -0.033 0.000 2.152 451 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 451 E C 0.282 176.879 176.600 -0.004 0.000 0.983 451 E CA 0.469 56.860 56.400 -0.016 0.000 0.818 451 E CB 0.352 30.042 29.700 -0.018 0.000 0.758 451 E HN 0.106 nan 8.360 nan 0.000 0.467 452 V N 2.803 122.706 119.914 -0.018 0.000 2.397 452 V HA 0.060 4.180 4.120 -0.000 0.000 0.262 452 V C 0.189 176.289 176.094 0.011 0.000 1.047 452 V CA -0.234 62.067 62.300 0.003 0.000 1.003 452 V CB 0.089 31.890 31.823 -0.037 0.000 1.037 452 V HN 0.165 nan 8.190 nan 0.000 0.480 453 T N 2.469 117.043 114.554 0.032 0.000 2.816 453 T HA 0.249 4.599 4.350 -0.000 0.000 0.282 453 T C 0.873 175.598 174.700 0.041 0.000 0.993 453 T CA -0.016 62.103 62.100 0.031 0.000 0.994 453 T CB 0.980 69.868 68.868 0.033 0.000 1.025 453 T HN 0.652 nan 8.240 nan 0.000 0.529 454 D N 1.090 121.511 120.400 0.035 0.000 2.133 454 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 454 D C 2.502 178.836 176.300 0.058 0.000 0.997 454 D CA 2.066 56.090 54.000 0.041 0.000 0.840 454 D CB -0.734 40.087 40.800 0.035 0.000 0.947 454 D HN 0.920 nan 8.370 nan 0.000 0.452 455 E N 1.225 121.457 120.200 0.054 0.000 2.077 455 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 455 E C 2.119 178.769 176.600 0.083 0.000 0.989 455 E CA 0.855 57.290 56.400 0.059 0.000 0.800 455 E CB -0.605 29.121 29.700 0.043 0.000 0.746 455 E HN 0.156 nan 8.360 nan 0.000 0.452 456 I N 1.180 121.813 120.570 0.104 0.000 2.202 456 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 456 I C 2.783 179.069 176.117 0.281 0.000 1.091 456 I CA 1.352 62.760 61.300 0.179 0.000 1.368 456 I CB -1.158 36.958 38.000 0.193 0.000 1.058 456 I HN 0.303 nan 8.210 nan 0.000 0.410 457 V N 0.800 120.826 119.914 0.185 0.000 2.343 457 V HA -0.276 3.843 4.120 -0.000 0.000 0.247 457 V C 2.563 178.769 176.094 0.187 0.000 1.051 457 V CA 1.934 64.333 62.300 0.165 0.000 1.036 457 V CB -1.145 30.710 31.823 0.053 0.000 0.654 457 V HN 0.381 nan 8.190 nan 0.000 0.451 458 K N 0.276 120.760 120.400 0.139 0.000 2.063 458 K HA -0.279 4.041 4.320 -0.000 0.000 0.208 458 K C 2.316 179.001 176.600 0.142 0.000 1.048 458 K CA 2.117 58.481 56.287 0.130 0.000 0.928 458 K CB -0.137 32.421 32.500 0.097 0.000 0.713 458 K HN 0.647 nan 8.250 nan 0.000 0.442 459 E N -0.465 119.810 120.200 0.124 0.000 2.028 459 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 459 E C 1.847 178.500 176.600 0.088 0.000 0.988 459 E CA 1.156 57.592 56.400 0.060 0.000 0.799 459 E CB -0.141 29.542 29.700 -0.028 0.000 0.755 459 E HN 0.273 nan 8.360 nan 0.000 0.447 460 F N 0.412 120.408 119.950 0.076 0.000 2.154 460 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 460 F C 2.158 178.039 175.800 0.136 0.000 1.087 460 F CA 1.236 59.289 58.000 0.088 0.000 1.274 460 F CB -0.027 38.999 39.000 0.044 0.000 1.009 460 F HN 0.092 nan 8.300 nan 0.000 0.485 461 M N -0.738 119.046 119.600 0.308 0.000 2.505 461 M HA 0.073 4.553 4.480 -0.000 0.000 0.230 461 M C -0.127 176.389 176.300 0.360 0.000 1.153 461 M CA 0.329 55.781 55.300 0.253 0.000 0.997 461 M CB -0.223 32.474 32.600 0.163 0.000 1.606 461 M HN -0.227 nan 8.290 nan 0.000 0.481 462 T N 3.688 118.439 114.554 0.328 0.000 2.749 462 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 462 T C -2.371 172.415 174.700 0.144 0.000 0.970 462 T CA -1.250 60.992 62.100 0.237 0.000 0.980 462 T CB 1.179 70.112 68.868 0.108 0.000 0.924 462 T HN 0.103 nan 8.240 nan 0.000 0.456 463 P HA 0.208 nan 4.420 nan 0.000 0.268 463 P C -0.422 176.667 177.300 -0.353 0.000 1.204 463 P CA -0.200 62.553 63.100 -0.577 0.000 0.768 463 P CB 0.639 32.200 31.700 -0.231 0.000 0.842 464 R N -0.294 119.930 120.500 -0.460 0.000 2.774 464 R HA 0.507 4.847 4.340 -0.000 0.000 0.279 464 R C -1.196 174.943 176.300 -0.269 0.000 1.022 464 R CA -0.854 55.090 56.100 -0.261 0.000 0.855 464 R CB -0.159 30.045 30.300 -0.159 0.000 1.279 464 R HN 0.318 nan 8.270 nan 0.000 0.485 465 K N 1.532 121.828 120.400 -0.173 0.000 2.451 465 K HA 0.335 4.655 4.320 -0.000 0.000 0.280 465 K C 0.497 177.035 176.600 -0.103 0.000 1.020 465 K CA 0.235 56.441 56.287 -0.134 0.000 1.008 465 K CB -0.244 32.215 32.500 -0.068 0.000 0.917 465 K HN 0.459 nan 8.250 nan 0.000 0.478 466 L N 3.722 124.893 121.223 -0.087 0.000 2.598 466 L HA 0.117 4.457 4.340 -0.000 0.000 0.241 466 L C 1.058 178.056 176.870 0.213 0.000 1.244 466 L CA -0.220 54.604 54.840 -0.025 0.000 1.198 466 L CB -0.275 41.679 42.059 -0.174 0.000 1.448 466 L HN 1.027 nan 8.230 nan 0.000 0.406 467 S N 0.016 115.811 115.700 0.158 0.000 3.228 467 S HA -0.268 4.201 4.470 -0.000 0.000 0.352 467 S C -0.314 174.458 174.600 0.288 0.000 0.856 467 S CA 0.868 59.170 58.200 0.171 0.000 1.263 467 S CB -1.526 61.738 63.200 0.107 0.000 0.842 467 S HN 0.348 nan 8.310 nan 0.000 0.446 468 F N 0.992 120.963 119.950 0.034 0.000 2.612 468 F HA 0.399 4.926 4.527 -0.000 0.000 0.332 468 F C -0.135 175.700 175.800 0.057 0.000 1.167 468 F CA -1.414 56.593 58.000 0.012 0.000 0.970 468 F CB 1.656 40.728 39.000 0.119 0.000 1.234 468 F HN 0.143 nan 8.300 nan 0.000 0.453 469 D N 4.359 124.738 120.400 -0.035 0.000 2.277 469 D HA 0.269 4.909 4.640 -0.000 0.000 0.249 469 D C -0.640 175.617 176.300 -0.073 0.000 1.134 469 D CA 0.314 54.339 54.000 0.041 0.000 0.863 469 D CB 1.163 41.946 40.800 -0.028 0.000 1.143 469 D HN 0.100 nan 8.370 nan 0.000 0.458 470 F N -0.005 120.104 119.950 0.266 0.000 2.522 470 F HA 0.305 4.832 4.527 -0.000 0.000 0.324 470 F C 1.291 177.288 175.800 0.329 0.000 1.077 470 F CA -0.968 57.200 58.000 0.279 0.000 0.944 470 F CB 1.046 40.205 39.000 0.266 0.000 1.175 470 F HN 0.235 nan 8.300 nan 0.000 0.468 471 Q N 2.049 122.041 119.800 0.319 0.000 2.962 471 Q HA 0.164 4.504 4.340 -0.000 0.000 0.251 471 Q C -0.348 175.796 176.000 0.240 0.000 1.380 471 Q CA -0.010 55.931 55.803 0.230 0.000 0.926 471 Q CB -1.769 27.046 28.738 0.128 0.000 1.704 471 Q HN 0.708 nan 8.270 nan 0.000 0.563 472 H N 0.000 119.155 119.070 0.142 0.000 2.539 472 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 472 H CA 0.000 56.114 56.048 0.109 0.000 1.023 472 H CB 0.000 29.819 29.762 0.095 0.000 1.292 472 H HN 0.000 nan 8.280 nan 0.000 0.496