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 3kr4_1_B DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNVNMEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.638 174.600 0.063 0.000 1.055 86 S CA 0.000 58.242 58.200 0.070 0.000 1.107 86 S CB 0.000 63.240 63.200 0.067 0.000 0.593 87 E N 2.013 122.248 120.200 0.059 0.000 2.316 87 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 87 E C -0.413 176.230 176.600 0.072 0.000 1.029 87 E CA -0.171 56.263 56.400 0.056 0.000 0.871 87 E CB 0.505 30.232 29.700 0.044 0.000 1.022 87 E HN 0.315 nan 8.360 nan 0.000 0.418 88 V N 6.166 126.125 119.914 0.075 0.000 2.427 88 V HA 0.280 4.400 4.120 -0.000 0.000 0.268 88 V C -1.727 174.433 176.094 0.109 0.000 1.046 88 V CA -1.220 61.148 62.300 0.113 0.000 0.970 88 V CB 0.897 32.776 31.823 0.093 0.000 1.001 88 V HN 0.811 nan 8.190 nan 0.000 0.476 89 P HA 0.255 nan 4.420 nan 0.000 0.271 89 P C -0.850 176.474 177.300 0.039 0.000 1.218 89 P CA -0.302 62.821 63.100 0.038 0.000 0.780 89 P CB 0.857 32.529 31.700 -0.046 0.000 0.901 90 Q N 0.388 120.185 119.800 -0.004 0.000 2.413 90 Q HA 0.343 4.683 4.340 -0.000 0.000 0.276 90 Q C 0.560 176.535 176.000 -0.042 0.000 1.099 90 Q CA -0.986 54.812 55.803 -0.010 0.000 0.814 90 Q CB 2.400 31.135 28.738 -0.006 0.000 1.379 90 Q HN 0.061 nan 8.270 nan 0.000 0.436 91 V N 0.405 120.292 119.914 -0.046 0.000 2.575 91 V HA 0.039 4.159 4.120 -0.000 0.000 0.242 91 V C 0.536 176.608 176.094 -0.037 0.000 1.045 91 V CA 0.623 62.892 62.300 -0.051 0.000 1.065 91 V CB 0.898 32.686 31.823 -0.058 0.000 0.717 91 V HN 0.641 nan 8.190 nan 0.000 0.467 92 V N -2.291 117.604 119.914 -0.032 0.000 3.074 92 V HA 0.577 4.697 4.120 -0.000 0.000 0.314 92 V C 1.139 177.219 176.094 -0.023 0.000 1.117 92 V CA 0.133 62.417 62.300 -0.026 0.000 1.014 92 V CB 1.467 33.275 31.823 -0.025 0.000 1.057 92 V HN 0.235 nan 8.190 nan 0.000 0.438 93 S N 1.305 116.995 115.700 -0.017 0.000 2.507 93 S HA -0.008 4.462 4.470 -0.000 0.000 0.235 93 S C 1.311 175.901 174.600 -0.017 0.000 0.988 93 S CA 1.337 59.529 58.200 -0.013 0.000 0.944 93 S CB -0.771 62.425 63.200 -0.008 0.000 0.762 93 S HN 0.749 nan 8.310 nan 0.000 0.526 94 L N 0.809 122.019 121.223 -0.022 0.000 2.558 94 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 94 L C 0.045 176.883 176.870 -0.053 0.000 1.128 94 L CA -0.044 54.781 54.840 -0.025 0.000 0.868 94 L CB -0.478 41.571 42.059 -0.018 0.000 1.006 94 L HN 0.166 nan 8.230 nan 0.000 0.454 95 D N 1.768 122.132 120.400 -0.059 0.000 2.425 95 D HA 0.127 4.767 4.640 -0.000 0.000 0.247 95 D C -2.082 174.146 176.300 -0.120 0.000 1.147 95 D CA -1.029 52.915 54.000 -0.093 0.000 0.879 95 D CB 0.819 41.590 40.800 -0.050 0.000 1.179 95 D HN -0.062 nan 8.370 nan 0.000 0.456 96 P HA 0.047 nan 4.420 nan 0.000 0.268 96 P C 0.655 177.886 177.300 -0.114 0.000 1.205 96 P CA -0.018 62.923 63.100 -0.265 0.000 0.771 96 P CB 0.531 31.770 31.700 -0.767 0.000 0.858 97 T N -2.470 112.065 114.554 -0.030 0.000 3.044 97 T HA 0.324 4.674 4.350 -0.000 0.000 0.260 97 T C 0.324 175.048 174.700 0.039 0.000 1.019 97 T CA -0.129 61.980 62.100 0.014 0.000 0.921 97 T CB -0.349 68.534 68.868 0.024 0.000 1.053 97 T HN 0.489 nan 8.240 nan 0.000 0.533 98 S N 0.337 116.078 115.700 0.068 0.000 2.615 98 S HA 0.654 5.124 4.470 -0.000 0.000 0.269 98 S C -1.164 173.539 174.600 0.171 0.000 1.161 98 S CA -1.243 57.012 58.200 0.092 0.000 0.817 98 S CB 0.663 63.910 63.200 0.078 0.000 1.131 98 S HN 0.277 nan 8.310 nan 0.000 0.467 99 I N 2.646 123.295 120.570 0.132 0.000 2.352 99 I HA 0.328 4.497 4.170 -0.000 0.000 0.290 99 I C -2.060 174.085 176.117 0.045 0.000 1.036 99 I CA -1.995 59.386 61.300 0.136 0.000 1.336 99 I CB 0.766 38.794 38.000 0.046 0.000 1.407 99 I HN 0.475 nan 8.210 nan 0.000 0.497 100 P HA 0.243 nan 4.420 nan 0.000 0.267 100 P C -0.701 176.486 177.300 -0.188 0.000 1.209 100 P CA 0.263 63.282 63.100 -0.135 0.000 0.763 100 P CB 0.853 32.369 31.700 -0.307 0.000 0.816 101 I N 0.884 121.354 120.570 -0.168 0.000 2.498 101 I HA 0.142 4.312 4.170 -0.000 0.000 0.290 101 I C 0.142 176.079 176.117 -0.300 0.000 1.032 101 I CA -0.862 60.266 61.300 -0.287 0.000 1.073 101 I CB 2.521 40.307 38.000 -0.356 0.000 1.251 101 I HN 0.211 nan 8.210 nan 0.000 0.426 102 E N 5.601 125.666 120.200 -0.225 0.000 2.115 102 E HA 0.276 4.626 4.350 -0.000 0.000 0.282 102 E C -0.668 175.891 176.600 -0.068 0.000 0.987 102 E CA -0.086 56.262 56.400 -0.087 0.000 0.797 102 E CB 0.828 30.543 29.700 0.025 0.000 1.086 102 E HN 0.527 nan 8.360 nan 0.000 0.397 103 Y N 2.885 123.203 120.300 0.029 0.000 2.205 103 Y HA 0.224 4.774 4.550 -0.000 0.000 0.292 103 Y C 1.596 177.193 175.900 -0.506 0.000 1.119 103 Y CA 0.723 58.686 58.100 -0.228 0.000 1.117 103 Y CB 0.157 38.471 38.460 -0.243 0.000 1.037 103 Y HN 0.465 nan 8.280 nan 0.000 0.510 104 N N 1.030 119.626 118.700 -0.174 0.000 2.401 104 N HA 0.118 4.858 4.740 -0.000 0.000 0.255 104 N C -0.568 174.895 175.510 -0.080 0.000 1.110 104 N CA -0.121 52.768 53.050 -0.268 0.000 0.949 104 N CB 0.466 38.835 38.487 -0.196 0.000 1.110 104 N HN 0.194 nan 8.380 nan 0.000 0.490 105 T N 1.017 115.629 114.554 0.097 0.000 2.936 105 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 105 T C -1.838 172.776 174.700 -0.142 0.000 1.003 105 T CA -1.922 60.199 62.100 0.035 0.000 1.005 105 T CB 1.681 70.633 68.868 0.141 0.000 1.097 105 T HN 0.157 nan 8.240 nan 0.000 0.532 106 P HA -0.007 nan 4.420 nan 0.000 0.220 106 P C 1.616 178.583 177.300 -0.554 0.000 1.148 106 P CA 0.424 63.168 63.100 -0.593 0.000 0.803 106 P CB -0.110 30.829 31.700 -1.269 0.000 0.782 107 I N -0.850 119.358 120.570 -0.604 0.000 2.208 107 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 107 I C 1.983 177.729 176.117 -0.617 0.000 1.097 107 I CA 1.808 62.703 61.300 -0.674 0.000 1.363 107 I CB -1.887 35.504 38.000 -1.015 0.000 1.051 107 I HN 0.153 nan 8.210 nan 0.000 0.413 108 H N 0.673 119.545 119.070 -0.331 0.000 2.456 108 H HA -0.117 4.439 4.556 -0.000 0.000 0.296 108 H C 1.489 176.681 175.328 -0.227 0.000 1.079 108 H CA 1.310 57.212 56.048 -0.243 0.000 1.322 108 H CB -0.075 29.584 29.762 -0.173 0.000 1.388 108 H HN 0.324 nan 8.280 nan 0.000 0.538 109 D N 0.240 120.554 120.400 -0.143 0.000 2.355 109 D HA 0.008 4.648 4.640 -0.000 0.000 0.218 109 D C 0.255 176.449 176.300 -0.177 0.000 1.004 109 D CA 0.349 54.264 54.000 -0.142 0.000 0.880 109 D CB 0.136 40.852 40.800 -0.141 0.000 0.911 109 D HN 0.389 nan 8.370 nan 0.000 0.528 110 I N 1.812 122.253 120.570 -0.215 0.000 2.421 110 I HA 0.014 4.184 4.170 -0.000 0.000 0.291 110 I C 0.669 176.694 176.117 -0.154 0.000 1.089 110 I CA -0.121 61.068 61.300 -0.185 0.000 1.354 110 I CB 0.411 38.316 38.000 -0.159 0.000 1.413 110 I HN -0.446 nan 8.210 nan 0.000 0.513 111 K N 5.717 126.021 120.400 -0.161 0.000 2.349 111 K HA 0.376 4.696 4.320 -0.000 0.000 0.288 111 K C -0.705 175.904 176.600 0.014 0.000 1.058 111 K CA -0.298 55.949 56.287 -0.067 0.000 0.953 111 K CB 1.264 33.738 32.500 -0.043 0.000 0.997 111 K HN 0.359 nan 8.250 nan 0.000 0.477 112 V N 4.105 124.030 119.914 0.018 0.000 2.459 112 V HA 0.239 4.359 4.120 -0.000 0.000 0.295 112 V C -0.288 175.794 176.094 -0.019 0.000 1.029 112 V CA -0.822 61.502 62.300 0.040 0.000 0.874 112 V CB 1.642 33.518 31.823 0.089 0.000 0.985 112 V HN 0.676 nan 8.190 nan 0.000 0.438 113 Q N 3.025 122.769 119.800 -0.093 0.000 2.323 113 Q HA 0.581 4.921 4.340 -0.000 0.000 0.271 113 Q C -1.454 174.224 176.000 -0.536 0.000 1.048 113 Q CA -0.556 55.046 55.803 -0.335 0.000 0.792 113 Q CB 2.954 31.442 28.738 -0.417 0.000 1.280 113 Q HN 0.548 nan 8.270 nan 0.000 0.441 114 V N 3.378 122.965 119.914 -0.543 0.000 2.417 114 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 114 V C -1.032 174.697 176.094 -0.609 0.000 1.024 114 V CA -0.632 61.394 62.300 -0.456 0.000 0.861 114 V CB 0.642 32.357 31.823 -0.179 0.000 0.985 114 V HN 0.598 nan 8.190 nan 0.000 0.436 115 Y N 1.210 121.345 120.300 -0.275 0.000 2.485 115 Y HA 0.451 5.001 4.550 -0.000 0.000 0.345 115 Y C 0.262 176.100 175.900 -0.103 0.000 0.998 115 Y CA -1.015 56.939 58.100 -0.242 0.000 1.059 115 Y CB 1.360 39.541 38.460 -0.465 0.000 1.234 115 Y HN 0.530 nan 8.280 nan 0.000 0.461 116 D N 2.224 122.722 120.400 0.164 0.000 2.351 116 D HA 0.045 4.685 4.640 -0.000 0.000 0.251 116 D C 0.742 177.188 176.300 0.243 0.000 1.137 116 D CA 0.312 54.399 54.000 0.145 0.000 0.879 116 D CB 1.288 42.146 40.800 0.097 0.000 1.181 116 D HN 0.783 nan 8.370 nan 0.000 0.448 117 I N 3.815 124.516 120.570 0.218 0.000 2.546 117 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 117 I C 1.943 178.141 176.117 0.135 0.000 1.163 117 I CA 0.778 62.217 61.300 0.232 0.000 1.457 117 I CB 0.193 38.295 38.000 0.170 0.000 1.092 117 I HN 0.338 nan 8.210 nan 0.000 0.434 118 K N 0.390 120.853 120.400 0.106 0.000 2.283 118 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 118 K C 1.848 178.488 176.600 0.067 0.000 1.048 118 K CA 1.143 57.472 56.287 0.071 0.000 0.948 118 K CB -0.373 32.161 32.500 0.057 0.000 0.742 118 K HN 0.461 nan 8.250 nan 0.000 0.458 119 G N 1.269 110.126 108.800 0.094 0.000 2.679 119 G HA2 0.138 4.098 3.960 -0.000 0.000 0.212 119 G HA3 0.138 4.098 3.960 -0.000 0.000 0.212 119 G C 0.545 175.481 174.900 0.061 0.000 1.137 119 G CA 0.341 45.490 45.100 0.082 0.000 0.787 119 G HN 0.468 nan 8.290 nan 0.000 0.534 120 G N -1.841 106.987 108.800 0.047 0.000 2.733 120 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 120 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 120 G C -0.294 174.522 174.900 -0.140 0.000 1.373 120 G CA -0.471 44.612 45.100 -0.029 0.000 0.838 120 G HN 0.727 nan 8.290 nan 0.000 0.588 121 C N 1.768 120.884 119.300 -0.307 0.000 2.319 121 C HA 0.614 5.074 4.460 -0.000 0.000 0.335 121 C C 0.266 175.085 174.990 -0.285 0.000 1.274 121 C CA -1.319 57.297 59.018 -0.671 0.000 1.806 121 C CB 0.682 27.899 27.740 -0.871 0.000 2.329 121 C HN 0.694 nan 8.230 nan 0.000 0.524 122 N N 1.635 120.234 118.700 -0.169 0.000 2.434 122 N HA 0.328 5.068 4.740 -0.000 0.000 0.272 122 N C -0.374 175.108 175.510 -0.046 0.000 1.040 122 N CA -0.231 52.780 53.050 -0.065 0.000 0.956 122 N CB 1.429 39.893 38.487 -0.038 0.000 1.108 122 N HN 0.474 nan 8.380 nan 0.000 0.481 123 V N 1.488 121.379 119.914 -0.039 0.000 2.611 123 V HA 0.208 4.328 4.120 -0.000 0.000 0.286 123 V C 1.377 177.452 176.094 -0.032 0.000 1.118 123 V CA -0.109 62.173 62.300 -0.030 0.000 1.334 123 V CB -0.118 31.697 31.823 -0.013 0.000 1.555 123 V HN 0.806 nan 8.190 nan 0.000 0.594 124 E N 1.071 121.254 120.200 -0.028 0.000 2.478 124 E HA 0.197 4.547 4.350 -0.000 0.000 0.194 124 E C 0.665 177.241 176.600 -0.041 0.000 1.045 124 E CA 0.678 57.058 56.400 -0.033 0.000 0.868 124 E CB 0.667 30.351 29.700 -0.026 0.000 0.885 124 E HN 0.706 nan 8.360 nan 0.000 0.505 125 E N -3.077 117.100 120.200 -0.038 0.000 2.403 125 E HA 0.414 4.764 4.350 -0.000 0.000 0.280 125 E C 0.615 177.202 176.600 -0.022 0.000 1.101 125 E CA -0.087 56.293 56.400 -0.034 0.000 0.856 125 E CB 1.176 30.858 29.700 -0.030 0.000 1.303 125 E HN 0.578 nan 8.360 nan 0.000 0.441 126 G N 1.161 109.953 108.800 -0.013 0.000 2.652 126 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.318 126 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.318 126 G C -0.592 174.302 174.900 -0.011 0.000 1.295 126 G CA 0.603 45.704 45.100 0.001 0.000 0.999 126 G HN 0.646 nan 8.290 nan 0.000 0.548 127 L N 0.546 121.763 121.223 -0.010 0.000 2.356 127 L HA 0.744 5.084 4.340 -0.000 0.000 0.277 127 L C -0.018 176.820 176.870 -0.053 0.000 0.996 127 L CA -0.097 54.725 54.840 -0.029 0.000 0.822 127 L CB 2.190 44.234 42.059 -0.025 0.000 1.256 127 L HN 0.675 nan 8.230 nan 0.000 0.413 128 T N 6.461 120.970 114.554 -0.075 0.000 2.791 128 T HA 0.579 4.929 4.350 -0.000 0.000 0.288 128 T C -0.449 174.143 174.700 -0.181 0.000 0.999 128 T CA -0.265 61.756 62.100 -0.132 0.000 0.952 128 T CB 0.761 69.546 68.868 -0.139 0.000 0.938 128 T HN 0.275 nan 8.240 nan 0.000 0.444 129 I N 3.817 124.245 120.570 -0.238 0.000 2.362 129 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 129 I C -0.480 175.457 176.117 -0.300 0.000 0.994 129 I CA -1.446 59.731 61.300 -0.204 0.000 1.158 129 I CB 0.816 38.705 38.000 -0.184 0.000 1.315 129 I HN 0.563 nan 8.210 nan 0.000 0.451 130 F N 5.985 125.911 119.950 -0.040 0.000 2.411 130 F HA 0.368 4.895 4.527 -0.000 0.000 0.350 130 F C 0.494 176.263 175.800 -0.052 0.000 1.114 130 F CA -0.478 57.503 58.000 -0.032 0.000 1.135 130 F CB 0.826 39.839 39.000 0.023 0.000 1.120 130 F HN 0.142 nan 8.300 nan 0.000 0.495 131 L N 5.650 126.861 121.223 -0.020 0.000 2.295 131 L HA 0.437 4.777 4.340 -0.000 0.000 0.288 131 L C -0.380 176.498 176.870 0.013 0.000 1.079 131 L CA -0.822 53.961 54.840 -0.096 0.000 0.830 131 L CB 0.310 42.118 42.059 -0.418 0.000 1.200 131 L HN 0.415 nan 8.230 nan 0.000 0.438 132 V N 0.960 120.917 119.914 0.072 0.000 2.495 132 V HA 0.653 4.773 4.120 -0.000 0.000 0.298 132 V C -0.433 175.685 176.094 0.041 0.000 1.031 132 V CA -0.635 61.694 62.300 0.048 0.000 0.871 132 V CB 1.676 33.496 31.823 -0.004 0.000 0.988 132 V HN 0.803 nan 8.190 nan 0.000 0.432 133 N N 2.897 121.614 118.700 0.028 0.000 2.906 133 N HA 0.517 5.257 4.740 -0.000 0.000 0.327 133 N C -0.878 174.641 175.510 0.015 0.000 1.344 133 N CA -0.853 52.216 53.050 0.031 0.000 0.823 133 N CB 1.439 39.949 38.487 0.039 0.000 1.351 133 N HN 0.727 nan 8.380 nan 0.000 0.604 134 N N -0.530 118.181 118.700 0.020 0.000 2.751 134 N HA 0.333 5.072 4.740 -0.000 0.000 0.238 134 N C -3.070 172.451 175.510 0.018 0.000 1.351 134 N CA -0.848 52.209 53.050 0.011 0.000 0.751 134 N CB 1.067 39.557 38.487 0.005 0.000 1.342 134 N HN 0.351 nan 8.380 nan 0.000 0.540 135 P HA 0.118 nan 4.420 nan 0.000 0.267 135 P C 0.771 178.083 177.300 0.020 0.000 1.200 135 P CA 0.436 63.550 63.100 0.023 0.000 0.772 135 P CB 0.467 32.181 31.700 0.023 0.000 0.855 136 G N 0.871 109.685 108.800 0.022 0.000 2.485 136 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.315 136 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.315 136 G C 0.342 175.252 174.900 0.017 0.000 0.914 136 G CA 1.009 46.121 45.100 0.020 0.000 0.889 136 G HN 0.871 nan 8.290 nan 0.000 0.512 137 K N -1.368 119.042 120.400 0.017 0.000 2.687 137 K HA 0.919 5.239 4.320 -0.000 0.000 0.197 137 K C 0.599 177.209 176.600 0.017 0.000 1.049 137 K CA 1.217 57.512 56.287 0.014 0.000 1.030 137 K CB -0.415 32.091 32.500 0.009 0.000 1.261 137 K HN 2.186 nan 8.250 nan 0.000 0.565 138 E N 0.890 121.101 120.200 0.019 0.000 3.492 138 E HA -0.251 4.099 4.350 -0.000 0.000 0.303 138 E C 0.090 176.707 176.600 0.029 0.000 1.507 138 E CA 1.672 58.085 56.400 0.022 0.000 2.055 138 E CB -1.297 28.414 29.700 0.018 0.000 1.950 138 E HN 0.813 nan 8.360 nan 0.000 0.470 139 N N 1.902 120.621 118.700 0.031 0.000 3.131 139 N HA 0.445 5.185 4.740 -0.000 0.000 0.312 139 N C 0.413 175.945 175.510 0.036 0.000 1.433 139 N CA 0.762 53.837 53.050 0.042 0.000 1.141 139 N CB 0.085 38.601 38.487 0.049 0.000 1.431 139 N HN 0.914 nan 8.380 nan 0.000 0.523 140 G N 1.597 110.412 108.800 0.025 0.000 2.732 140 G HA2 0.087 4.047 3.960 -0.000 0.000 0.244 140 G HA3 0.087 4.047 3.960 -0.000 0.000 0.244 140 G C -2.226 172.678 174.900 0.008 0.000 1.226 140 G CA -0.495 44.612 45.100 0.012 0.000 0.860 140 G HN 0.131 nan 8.290 nan 0.000 0.583 141 P HA 0.186 nan 4.420 nan 0.000 0.272 141 P C 0.250 177.523 177.300 -0.045 0.000 1.240 141 P CA -0.264 62.825 63.100 -0.019 0.000 0.791 141 P CB 1.062 32.742 31.700 -0.035 0.000 0.978 142 V N -2.271 117.597 119.914 -0.077 0.000 2.488 142 V HA 0.644 4.764 4.120 -0.000 0.000 0.277 142 V C -0.182 175.840 176.094 -0.120 0.000 1.046 142 V CA -0.387 61.813 62.300 -0.167 0.000 0.986 142 V CB -0.558 31.004 31.823 -0.435 0.000 0.989 142 V HN 0.726 nan 8.190 nan 0.000 0.475 143 K N 6.643 126.975 120.400 -0.113 0.000 2.463 143 K HA 0.720 5.040 4.320 -0.000 0.000 0.255 143 K C -0.791 175.734 176.600 -0.125 0.000 0.942 143 K CA -0.782 55.443 56.287 -0.103 0.000 0.814 143 K CB 1.464 33.922 32.500 -0.071 0.000 1.122 143 K HN 0.778 nan 8.250 nan 0.000 0.425 144 I N 3.121 123.587 120.570 -0.173 0.000 2.496 144 I HA 0.089 4.259 4.170 -0.000 0.000 0.285 144 I C 1.704 177.740 176.117 -0.135 0.000 1.080 144 I CA 0.193 61.354 61.300 -0.233 0.000 1.404 144 I CB 0.924 38.664 38.000 -0.434 0.000 1.403 144 I HN 0.872 nan 8.210 nan 0.000 0.539 145 S N 3.446 119.100 115.700 -0.075 0.000 2.456 145 S HA 0.080 4.550 4.470 -0.000 0.000 0.224 145 S C 0.937 175.530 174.600 -0.011 0.000 1.035 145 S CA -0.247 57.936 58.200 -0.028 0.000 0.940 145 S CB -0.004 63.198 63.200 0.005 0.000 0.799 145 S HN 0.577 nan 8.310 nan 0.000 0.508 146 S N 2.417 118.128 115.700 0.018 0.000 2.572 146 S HA 0.526 4.996 4.470 -0.000 0.000 0.279 146 S C 0.273 174.883 174.600 0.017 0.000 1.341 146 S CA -0.200 58.034 58.200 0.057 0.000 1.043 146 S CB 0.588 63.888 63.200 0.167 0.000 0.887 146 S HN 0.833 nan 8.310 nan 0.000 0.516 147 K N 1.333 121.740 120.400 0.011 0.000 2.368 147 K HA 0.456 4.776 4.320 -0.000 0.000 0.282 147 K C -0.563 176.029 176.600 -0.015 0.000 1.035 147 K CA -0.408 55.876 56.287 -0.005 0.000 0.973 147 K CB 0.077 32.576 32.500 -0.003 0.000 0.957 147 K HN 0.494 nan 8.250 nan 0.000 0.474 148 V N 3.634 123.542 119.914 -0.010 0.000 2.378 148 V HA 0.190 4.310 4.120 -0.000 0.000 0.288 148 V C -0.278 175.807 176.094 -0.016 0.000 1.016 148 V CA -1.141 61.156 62.300 -0.006 0.000 0.840 148 V CB 1.521 33.367 31.823 0.038 0.000 0.994 148 V HN 0.914 nan 8.190 nan 0.000 0.431 149 N N 3.865 122.545 118.700 -0.034 0.000 3.111 149 N HA 0.159 4.899 4.740 -0.000 0.000 0.302 149 N C -0.524 174.978 175.510 -0.013 0.000 1.317 149 N CA 0.236 53.272 53.050 -0.023 0.000 1.151 149 N CB 0.069 38.539 38.487 -0.028 0.000 1.456 149 N HN 0.831 nan 8.380 nan 0.000 0.547 150 D N -1.642 118.756 120.400 -0.003 0.000 2.861 150 D HA 0.276 4.916 4.640 -0.000 0.000 0.216 150 D C 0.781 177.090 176.300 0.014 0.000 1.323 150 D CA -0.436 53.568 54.000 0.006 0.000 0.917 150 D CB 0.881 41.684 40.800 0.006 0.000 1.582 150 D HN -0.006 nan 8.370 nan 0.000 0.576 151 K N 1.938 122.348 120.400 0.016 0.000 2.026 151 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 151 K C 1.685 178.305 176.600 0.034 0.000 1.048 151 K CA 1.573 57.871 56.287 0.019 0.000 0.929 151 K CB -0.810 31.699 32.500 0.015 0.000 0.713 151 K HN 0.594 nan 8.250 nan 0.000 0.439 152 Q N 0.267 120.093 119.800 0.044 0.000 2.002 152 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 152 Q C 2.349 178.405 176.000 0.094 0.000 0.988 152 Q CA 1.852 57.698 55.803 0.071 0.000 0.843 152 Q CB -0.807 27.975 28.738 0.074 0.000 0.908 152 Q HN 0.406 nan 8.270 nan 0.000 0.420 153 V N 1.229 121.181 119.914 0.063 0.000 2.332 153 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 153 V C 2.460 178.608 176.094 0.090 0.000 1.055 153 V CA 2.016 64.359 62.300 0.072 0.000 1.038 153 V CB -0.787 31.061 31.823 0.041 0.000 0.651 153 V HN 0.285 nan 8.190 nan 0.000 0.450 154 S N -0.332 115.398 115.700 0.050 0.000 2.370 154 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 154 S C 2.354 176.969 174.600 0.025 0.000 1.033 154 S CA 1.787 60.001 58.200 0.023 0.000 1.011 154 S CB -0.552 62.652 63.200 0.006 0.000 0.852 154 S HN 0.831 nan 8.310 nan 0.000 0.457 155 E N 1.077 121.302 120.200 0.041 0.000 2.038 155 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 155 E C 1.683 178.294 176.600 0.019 0.000 1.000 155 E CA 1.620 58.033 56.400 0.021 0.000 0.803 155 E CB -1.311 28.405 29.700 0.028 0.000 0.750 155 E HN 0.578 nan 8.360 nan 0.000 0.448 156 F N 0.381 120.298 119.950 -0.055 0.000 2.115 156 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 156 F C 2.065 177.779 175.800 -0.143 0.000 1.092 156 F CA 1.748 59.694 58.000 -0.090 0.000 1.245 156 F CB 0.064 39.021 39.000 -0.071 0.000 0.995 156 F HN 0.138 nan 8.300 nan 0.000 0.481 157 L N 0.210 121.504 121.223 0.119 0.000 2.645 157 L HA 0.099 4.439 4.340 -0.000 0.000 0.234 157 L C 1.044 177.865 176.870 -0.082 0.000 1.165 157 L CA -0.207 54.629 54.840 -0.006 0.000 0.944 157 L CB -1.469 40.543 42.059 -0.078 0.000 1.149 157 L HN -0.030 nan 8.230 nan 0.000 0.446 158 K N 0.147 120.497 120.400 -0.084 0.000 2.469 158 K HA -0.052 4.268 4.320 -0.000 0.000 0.274 158 K C 0.807 177.345 176.600 -0.103 0.000 0.983 158 K CA 0.200 56.432 56.287 -0.092 0.000 0.974 158 K CB 0.068 32.513 32.500 -0.092 0.000 0.913 158 K HN 0.013 nan 8.250 nan 0.000 0.493 159 D N 1.547 121.893 120.400 -0.090 0.000 2.133 159 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 159 D C 2.444 178.686 176.300 -0.097 0.000 0.997 159 D CA 2.211 56.159 54.000 -0.087 0.000 0.840 159 D CB -0.240 40.516 40.800 -0.072 0.000 0.947 159 D HN 0.879 nan 8.370 nan 0.000 0.452 160 E N 1.228 121.366 120.200 -0.102 0.000 2.085 160 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 160 E C 1.840 178.349 176.600 -0.151 0.000 0.994 160 E CA 1.468 57.799 56.400 -0.115 0.000 0.801 160 E CB -0.846 28.791 29.700 -0.106 0.000 0.743 160 E HN 0.251 nan 8.360 nan 0.000 0.453 161 N N -0.473 118.122 118.700 -0.175 0.000 2.331 161 N HA -0.022 4.718 4.740 -0.000 0.000 0.180 161 N C 1.555 176.960 175.510 -0.174 0.000 1.019 161 N CA 1.215 54.125 53.050 -0.233 0.000 0.881 161 N CB 0.123 38.399 38.487 -0.351 0.000 0.972 161 N HN 0.340 nan 8.380 nan 0.000 0.435 162 M N 0.365 119.906 119.600 -0.098 0.000 2.509 162 M HA 0.089 4.569 4.480 -0.000 0.000 0.250 162 M C 1.983 178.263 176.300 -0.034 0.000 1.132 162 M CA 0.381 55.709 55.300 0.047 0.000 1.080 162 M CB -0.815 31.791 32.600 0.010 0.000 1.408 162 M HN 0.230 nan 8.290 nan 0.000 0.484 163 E N 2.281 122.401 120.200 -0.135 0.000 2.150 163 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 163 E C 1.773 178.263 176.600 -0.183 0.000 0.985 163 E CA 1.657 57.980 56.400 -0.129 0.000 0.814 163 E CB -0.910 28.718 29.700 -0.119 0.000 0.752 163 E HN 0.773 nan 8.360 nan 0.000 0.466 164 K N -1.044 119.140 120.400 -0.361 0.000 2.442 164 K HA 0.088 4.408 4.320 -0.000 0.000 0.198 164 K C -0.059 176.275 176.600 -0.443 0.000 1.042 164 K CA 0.404 56.409 56.287 -0.470 0.000 0.958 164 K CB -0.277 31.827 32.500 -0.659 0.000 0.766 164 K HN 0.395 nan 8.250 nan 0.000 0.474 165 F N 2.075 122.054 119.950 0.049 0.000 2.470 165 F HA 0.287 4.814 4.527 -0.000 0.000 0.329 165 F C 0.249 176.068 175.800 0.031 0.000 1.072 165 F CA -1.398 56.668 58.000 0.110 0.000 0.989 165 F CB 1.119 40.255 39.000 0.227 0.000 1.193 165 F HN 0.051 nan 8.300 nan 0.000 0.481 166 N N -1.121 117.754 118.700 0.292 0.000 2.453 166 N HA 0.461 5.201 4.740 -0.000 0.000 0.290 166 N C -0.359 175.257 175.510 0.176 0.000 1.250 166 N CA -0.877 52.265 53.050 0.153 0.000 0.815 166 N CB 1.538 40.097 38.487 0.120 0.000 1.381 166 N HN 0.411 nan 8.380 nan 0.000 0.510 167 V N -3.505 116.473 119.914 0.106 0.000 3.514 167 V HA 0.234 4.354 4.120 -0.000 0.000 0.301 167 V C 0.758 176.931 176.094 0.133 0.000 1.346 167 V CA -0.331 62.040 62.300 0.118 0.000 1.156 167 V CB -1.238 30.616 31.823 0.051 0.000 1.029 167 V HN 0.740 nan 8.190 nan 0.000 0.428 168 K N 1.537 122.014 120.400 0.129 0.000 2.543 168 K HA -0.074 4.246 4.320 -0.000 0.000 0.279 168 K C -0.000 176.656 176.600 0.093 0.000 1.001 168 K CA -0.214 56.132 56.287 0.098 0.000 1.088 168 K CB 0.307 32.863 32.500 0.094 0.000 0.863 168 K HN 0.517 nan 8.250 nan 0.000 0.488 169 L N 5.164 126.430 121.223 0.072 0.000 2.628 169 L HA -0.003 4.337 4.340 -0.000 0.000 0.274 169 L C 1.151 178.051 176.870 0.050 0.000 1.209 169 L CA 2.126 57.004 54.840 0.063 0.000 0.930 169 L CB 0.010 42.104 42.059 0.059 0.000 1.183 169 L HN 0.993 nan 8.230 nan 0.000 0.492 170 G N 1.695 110.518 108.800 0.039 0.000 2.217 170 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.246 170 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.246 170 G C 0.387 175.276 174.900 -0.019 0.000 0.990 170 G CA 0.312 45.418 45.100 0.011 0.000 0.627 170 G HN 1.012 nan 8.290 nan 0.000 0.522 171 T N -0.060 114.494 114.554 -0.000 0.000 2.860 171 T HA 0.629 4.979 4.350 -0.000 0.000 0.299 171 T C 0.329 174.898 174.700 -0.219 0.000 1.045 171 T CA 0.708 62.778 62.100 -0.050 0.000 1.071 171 T CB 1.827 70.717 68.868 0.037 0.000 0.985 171 T HN 1.779 nan 8.240 nan 0.000 0.537 172 S N -0.055 115.428 115.700 -0.363 0.000 2.570 172 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 172 S C -1.519 172.645 174.600 -0.726 0.000 1.149 172 S CA -1.202 56.584 58.200 -0.690 0.000 0.837 172 S CB 1.979 64.882 63.200 -0.495 0.000 1.124 172 S HN 0.707 nan 8.310 nan 0.000 0.465 173 K N 0.348 120.120 120.400 -1.047 0.000 2.469 173 K HA 0.640 4.960 4.320 -0.000 0.000 0.254 173 K C -1.939 174.059 176.600 -1.003 0.000 0.939 173 K CA -0.430 55.363 56.287 -0.823 0.000 0.812 173 K CB 1.469 33.446 32.500 -0.871 0.000 1.301 173 K HN 0.827 nan 8.250 nan 0.000 0.433 174 H N 1.338 120.055 119.070 -0.588 0.000 2.457 174 H HA 0.583 5.139 4.556 -0.000 0.000 0.335 174 H C -0.870 174.251 175.328 -0.345 0.000 1.115 174 H CA -0.309 55.439 56.048 -0.500 0.000 1.219 174 H CB 0.699 30.331 29.762 -0.216 0.000 1.471 174 H HN 0.241 nan 8.280 nan 0.000 0.491 175 F N 1.298 121.278 119.950 0.050 0.000 2.593 175 F HA 0.394 4.921 4.527 -0.000 0.000 0.320 175 F C -0.721 175.041 175.800 -0.064 0.000 1.060 175 F CA -1.354 56.627 58.000 -0.033 0.000 0.940 175 F CB 1.106 39.928 39.000 -0.296 0.000 1.268 175 F HN 0.460 nan 8.300 nan 0.000 0.475 176 Y N 3.839 124.116 120.300 -0.039 0.000 2.470 176 Y HA 0.744 5.294 4.550 -0.000 0.000 0.341 176 Y C -1.046 174.754 175.900 -0.166 0.000 1.021 176 Y CA -1.181 56.854 58.100 -0.108 0.000 1.025 176 Y CB 1.782 40.225 38.460 -0.028 0.000 1.266 176 Y HN 0.712 nan 8.280 nan 0.000 0.448 177 M N 3.519 122.629 119.600 -0.816 0.000 3.012 177 M HA 0.504 4.984 4.480 -0.000 0.000 0.272 177 M C -2.306 173.571 176.300 -0.704 0.000 1.187 177 M CA -0.726 54.269 55.300 -0.508 0.000 0.813 177 M CB 2.134 34.563 32.600 -0.286 0.000 1.626 177 M HN 0.543 nan 8.290 nan 0.000 0.507 178 F N 2.599 122.412 119.950 -0.227 0.000 2.420 178 F HA 0.455 4.982 4.527 -0.000 0.000 0.342 178 F C 0.603 176.350 175.800 -0.089 0.000 1.113 178 F CA -0.141 57.767 58.000 -0.153 0.000 1.059 178 F CB 1.268 40.220 39.000 -0.080 0.000 1.128 178 F HN 0.744 nan 8.300 nan 0.000 0.475 179 N N 0.791 119.518 118.700 0.044 0.000 2.418 179 N HA 0.086 4.826 4.740 -0.000 0.000 0.283 179 N C 0.413 175.963 175.510 0.067 0.000 1.267 179 N CA -0.456 52.612 53.050 0.031 0.000 0.975 179 N CB 0.259 38.737 38.487 -0.015 0.000 1.167 179 N HN 0.426 nan 8.380 nan 0.000 0.581 180 D N -0.865 119.559 120.400 0.040 0.000 2.221 180 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 180 D C 0.697 177.020 176.300 0.037 0.000 0.982 180 D CA 1.067 55.088 54.000 0.036 0.000 0.857 180 D CB -0.279 40.534 40.800 0.021 0.000 0.934 180 D HN 0.508 nan 8.370 nan 0.000 0.475 181 N N 0.206 118.929 118.700 0.039 0.000 2.521 181 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 181 N C 0.728 176.280 175.510 0.069 0.000 1.146 181 N CA 1.102 54.176 53.050 0.040 0.000 0.893 181 N CB -0.002 38.502 38.487 0.028 0.000 0.975 181 N HN 0.255 nan 8.380 nan 0.000 0.451 182 K N -0.699 119.765 120.400 0.107 0.000 3.209 182 K HA -0.256 4.064 4.320 -0.000 0.000 0.289 182 K C -0.209 176.588 176.600 0.328 0.000 1.191 182 K CA 1.446 57.843 56.287 0.184 0.000 0.851 182 K CB -3.038 29.503 32.500 0.068 0.000 1.242 182 K HN 0.649 nan 8.250 nan 0.000 0.480 183 N N 0.956 119.773 118.700 0.196 0.000 2.425 183 N HA 0.425 5.165 4.740 -0.000 0.000 0.268 183 N C 0.100 175.512 175.510 -0.163 0.000 0.991 183 N CA -0.002 53.100 53.050 0.087 0.000 0.931 183 N CB 1.686 40.184 38.487 0.019 0.000 1.130 183 N HN 0.548 nan 8.380 nan 0.000 0.493 184 S N 0.930 116.326 115.700 -0.507 0.000 2.549 184 S HA 0.302 4.772 4.470 -0.000 0.000 0.286 184 S C 0.203 174.484 174.600 -0.530 0.000 1.314 184 S CA -0.738 56.837 58.200 -1.042 0.000 1.062 184 S CB 0.223 62.731 63.200 -1.154 0.000 0.865 184 S HN 0.337 nan 8.310 nan 0.000 0.498 185 V N -0.806 118.785 119.914 -0.538 0.000 2.962 185 V HA 0.972 5.092 4.120 -0.000 0.000 0.313 185 V C -0.136 175.804 176.094 -0.255 0.000 1.099 185 V CA -1.095 61.035 62.300 -0.285 0.000 0.971 185 V CB 1.240 32.949 31.823 -0.191 0.000 1.028 185 V HN 1.279 nan 8.190 nan 0.000 0.430 186 A N 2.460 125.214 122.820 -0.111 0.000 2.304 186 A HA 0.935 5.255 4.320 -0.000 0.000 0.323 186 A C -0.600 176.958 177.584 -0.044 0.000 1.195 186 A CA -0.622 51.391 52.037 -0.039 0.000 0.826 186 A CB 1.361 20.380 19.000 0.031 0.000 1.184 186 A HN 1.381 nan 8.150 nan 0.000 0.496 187 V N 0.955 120.848 119.914 -0.035 0.000 3.078 187 V HA 0.957 5.077 4.120 -0.000 0.000 0.311 187 V C 0.557 176.545 176.094 -0.176 0.000 1.138 187 V CA 0.198 62.503 62.300 0.008 0.000 1.007 187 V CB 1.953 33.868 31.823 0.153 0.000 1.045 187 V HN 1.624 nan 8.190 nan 0.000 0.432 188 G N 1.023 109.701 108.800 -0.203 0.000 2.427 188 G HA2 0.646 4.606 3.960 -0.000 0.000 0.306 188 G HA3 0.646 4.606 3.960 -0.000 0.000 0.306 188 G C -1.996 172.814 174.900 -0.150 0.000 1.280 188 G CA -0.018 44.708 45.100 -0.625 0.000 0.837 188 G HN 1.446 nan 8.290 nan 0.000 0.482 189 Y N -1.862 118.213 120.300 -0.376 0.000 2.597 189 Y HA 0.798 5.348 4.550 -0.000 0.000 0.340 189 Y C -1.355 174.433 175.900 -0.187 0.000 1.097 189 Y CA -1.515 56.497 58.100 -0.147 0.000 1.037 189 Y CB 1.597 40.050 38.460 -0.012 0.000 1.305 189 Y HN 0.574 nan 8.280 nan 0.000 0.463 190 V N 2.258 122.147 119.914 -0.042 0.000 2.540 190 V HA 0.714 4.834 4.120 -0.000 0.000 0.302 190 V C 0.439 176.639 176.094 0.177 0.000 1.035 190 V CA -0.475 61.764 62.300 -0.103 0.000 0.873 190 V CB 1.588 33.346 31.823 -0.109 0.000 0.992 190 V HN 1.152 nan 8.190 nan 0.000 0.428 191 G N 1.791 110.705 108.800 0.190 0.000 2.378 191 G HA2 0.296 4.256 3.960 -0.000 0.000 0.255 191 G HA3 0.296 4.256 3.960 -0.000 0.000 0.255 191 G C 0.398 175.365 174.900 0.111 0.000 1.270 191 G CA -0.122 45.115 45.100 0.228 0.000 0.876 191 G HN 0.898 nan 8.290 nan 0.000 0.521 192 C N 2.314 121.670 119.300 0.092 0.000 2.881 192 C HA 0.648 5.108 4.460 -0.000 0.000 0.290 192 C C 1.612 176.640 174.990 0.063 0.000 1.362 192 C CA 0.082 59.139 59.018 0.065 0.000 1.757 192 C CB -1.512 26.256 27.740 0.045 0.000 2.265 192 C HN 1.399 nan 8.230 nan 0.000 0.600 193 G N 1.793 110.633 108.800 0.067 0.000 2.593 193 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 193 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 193 G C 0.514 175.442 174.900 0.048 0.000 1.312 193 G CA 0.201 45.336 45.100 0.058 0.000 0.896 193 G HN 0.550 nan 8.290 nan 0.000 0.574 194 S N -1.323 114.403 115.700 0.043 0.000 2.589 194 S HA 0.398 4.868 4.470 -0.000 0.000 0.235 194 S C 0.657 175.278 174.600 0.036 0.000 1.051 194 S CA 0.624 58.846 58.200 0.036 0.000 0.978 194 S CB 1.007 64.226 63.200 0.031 0.000 0.929 194 S HN 1.066 nan 8.310 nan 0.000 0.523 195 V N 3.200 123.139 119.914 0.041 0.000 2.521 195 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 195 V C 1.505 177.626 176.094 0.045 0.000 1.034 195 V CA 0.127 62.452 62.300 0.041 0.000 1.045 195 V CB 0.576 32.425 31.823 0.044 0.000 0.974 195 V HN 0.471 nan 8.190 nan 0.000 0.480 196 A N 3.243 126.088 122.820 0.042 0.000 2.125 196 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 196 A C 1.104 178.719 177.584 0.053 0.000 1.156 196 A CA 1.318 53.382 52.037 0.045 0.000 0.671 196 A CB -0.630 18.393 19.000 0.039 0.000 0.794 196 A HN 0.999 nan 8.150 nan 0.000 0.459 197 D N -1.472 118.960 120.400 0.053 0.000 2.593 197 D HA 0.625 5.265 4.640 -0.000 0.000 0.251 197 D C -0.643 175.693 176.300 0.061 0.000 1.140 197 D CA 0.152 54.187 54.000 0.058 0.000 0.855 197 D CB 0.844 41.675 40.800 0.051 0.000 1.267 197 D HN 0.958 nan 8.370 nan 0.000 0.532 198 L N 1.464 122.731 121.223 0.073 0.000 2.305 198 L HA 0.840 5.180 4.340 -0.000 0.000 0.281 198 L C 1.273 178.180 176.870 0.061 0.000 1.085 198 L CA -0.436 54.450 54.840 0.077 0.000 0.813 198 L CB 0.450 42.570 42.059 0.101 0.000 1.157 198 L HN 0.976 nan 8.230 nan 0.000 0.436 199 S N 0.962 116.695 115.700 0.055 0.000 2.593 199 S HA 0.143 4.613 4.470 -0.000 0.000 0.269 199 S C 1.132 175.736 174.600 0.006 0.000 1.334 199 S CA 0.528 58.746 58.200 0.030 0.000 1.015 199 S CB 0.831 64.062 63.200 0.052 0.000 0.912 199 S HN 1.067 nan 8.310 nan 0.000 0.541 200 E N 1.941 122.080 120.200 -0.100 0.000 2.108 200 E HA -0.291 4.059 4.350 -0.000 0.000 0.203 200 E C 1.966 178.600 176.600 0.056 0.000 1.022 200 E CA 2.071 58.327 56.400 -0.241 0.000 0.823 200 E CB -0.937 28.533 29.700 -0.384 0.000 0.744 200 E HN 0.846 nan 8.360 nan 0.000 0.456 201 A N 1.191 124.064 122.820 0.088 0.000 1.933 201 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 201 A C 1.901 179.567 177.584 0.135 0.000 1.175 201 A CA 1.799 53.918 52.037 0.136 0.000 0.628 201 A CB -0.406 18.669 19.000 0.125 0.000 0.814 201 A HN 0.306 nan 8.150 nan 0.000 0.444 202 D N -0.933 119.536 120.400 0.116 0.000 2.123 202 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 202 D C 1.813 178.201 176.300 0.146 0.000 0.976 202 D CA 1.519 55.586 54.000 0.112 0.000 0.831 202 D CB -0.377 40.480 40.800 0.094 0.000 0.974 202 D HN 0.372 nan 8.370 nan 0.000 0.469 203 M N 1.294 121.013 119.600 0.199 0.000 2.117 203 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 203 M C 1.829 178.288 176.300 0.265 0.000 1.065 203 M CA 1.526 56.997 55.300 0.285 0.000 1.114 203 M CB -0.257 32.601 32.600 0.431 0.000 1.361 203 M HN -0.197 nan 8.290 nan 0.000 0.408 204 K N -0.647 119.922 120.400 0.283 0.000 2.063 204 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 204 K C 2.034 178.692 176.600 0.096 0.000 1.048 204 K CA 1.507 57.896 56.287 0.170 0.000 0.928 204 K CB -0.064 32.559 32.500 0.204 0.000 0.713 204 K HN 0.386 nan 8.250 nan 0.000 0.442 205 R N 0.068 120.629 120.500 0.102 0.000 2.096 205 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 205 R C 2.279 178.606 176.300 0.046 0.000 1.127 205 R CA 1.355 57.494 56.100 0.065 0.000 0.968 205 R CB -0.384 29.955 30.300 0.065 0.000 0.861 205 R HN 0.070 nan 8.270 nan 0.000 0.440 206 V N 0.679 120.635 119.914 0.070 0.000 2.295 206 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 206 V C 2.431 178.542 176.094 0.028 0.000 1.049 206 V CA 1.600 63.934 62.300 0.057 0.000 1.024 206 V CB -0.406 31.477 31.823 0.101 0.000 0.648 206 V HN 0.098 nan 8.190 nan 0.000 0.447 207 V N -0.373 119.556 119.914 0.024 0.000 2.287 207 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 207 V C 2.440 178.461 176.094 -0.121 0.000 1.053 207 V CA 1.617 63.855 62.300 -0.102 0.000 1.027 207 V CB -0.591 31.100 31.823 -0.219 0.000 0.646 207 V HN 0.367 nan 8.190 nan 0.000 0.447 208 L N -0.112 121.070 121.223 -0.068 0.000 2.042 208 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 208 L C 2.616 179.440 176.870 -0.076 0.000 1.076 208 L CA 1.939 56.743 54.840 -0.060 0.000 0.749 208 L CB -1.586 40.465 42.059 -0.013 0.000 0.893 208 L HN 0.325 nan 8.230 nan 0.000 0.432 209 S N -0.580 115.080 115.700 -0.067 0.000 2.368 209 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 209 S C 2.044 176.563 174.600 -0.136 0.000 1.030 209 S CA 0.876 59.022 58.200 -0.090 0.000 0.999 209 S CB -0.230 62.919 63.200 -0.086 0.000 0.844 209 S HN 0.336 nan 8.310 nan 0.000 0.459 210 L N 1.137 122.274 121.223 -0.144 0.000 2.042 210 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 210 L C 2.200 178.919 176.870 -0.252 0.000 1.076 210 L CA 1.206 55.934 54.840 -0.187 0.000 0.749 210 L CB -0.398 41.563 42.059 -0.164 0.000 0.893 210 L HN 0.218 nan 8.230 nan 0.000 0.432 211 V N -0.922 118.826 119.914 -0.277 0.000 2.515 211 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 211 V C 2.459 178.308 176.094 -0.408 0.000 1.058 211 V CA 2.079 64.137 62.300 -0.404 0.000 1.064 211 V CB -0.536 31.080 31.823 -0.345 0.000 0.675 211 V HN 0.495 nan 8.190 nan 0.000 0.461 212 T N 0.153 114.584 114.554 -0.205 0.000 2.759 212 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 212 T C 1.773 176.444 174.700 -0.050 0.000 1.042 212 T CA 1.742 63.794 62.100 -0.080 0.000 1.140 212 T CB -0.269 68.576 68.868 -0.039 0.000 0.864 212 T HN 0.398 nan 8.240 nan 0.000 0.455 213 M N 0.111 119.658 119.600 -0.089 0.000 2.419 213 M HA 0.163 4.643 4.480 -0.000 0.000 0.264 213 M C 1.868 178.146 176.300 -0.036 0.000 1.082 213 M CA 0.983 56.283 55.300 -0.001 0.000 1.119 213 M CB -0.298 32.252 32.600 -0.084 0.000 1.398 213 M HN 0.173 nan 8.290 nan 0.000 0.453 214 L N -1.199 119.927 121.223 -0.161 0.000 2.179 214 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 214 L C 0.827 177.702 176.870 0.008 0.000 1.096 214 L CA 0.228 54.969 54.840 -0.165 0.000 0.779 214 L CB -0.491 41.289 42.059 -0.465 0.000 0.922 214 L HN 0.229 nan 8.230 nan 0.000 0.443 215 H N 0.931 119.990 119.070 -0.019 0.000 2.629 215 H HA 0.045 4.601 4.556 -0.000 0.000 0.357 215 H C 0.070 175.375 175.328 -0.038 0.000 1.121 215 H CA -0.591 55.445 56.048 -0.020 0.000 1.406 215 H CB 0.469 30.218 29.762 -0.020 0.000 1.456 215 H HN 0.096 nan 8.280 nan 0.000 0.579 216 D N 1.080 121.523 120.400 0.072 0.000 2.723 216 D HA -0.236 4.404 4.640 -0.000 0.000 0.236 216 D C -0.484 175.809 176.300 -0.012 0.000 1.138 216 D CA 0.603 54.605 54.000 0.003 0.000 0.676 216 D CB -0.983 39.813 40.800 -0.007 0.000 1.069 216 D HN 0.470 nan 8.370 nan 0.000 0.430 217 N N 0.682 119.382 118.700 -0.000 0.000 2.812 217 N HA 0.051 4.791 4.740 -0.000 0.000 0.262 217 N C -1.091 174.421 175.510 0.003 0.000 1.241 217 N CA -0.388 52.654 53.050 -0.013 0.000 0.854 217 N CB 0.916 39.392 38.487 -0.018 0.000 1.506 217 N HN -0.059 nan 8.380 nan 0.000 0.576 218 K N 3.115 123.514 120.400 -0.003 0.000 2.336 218 K HA 0.314 4.634 4.320 -0.000 0.000 0.290 218 K C -0.442 176.171 176.600 0.021 0.000 1.067 218 K CA 0.207 56.499 56.287 0.008 0.000 0.962 218 K CB 0.562 33.063 32.500 0.002 0.000 1.008 218 K HN 0.388 nan 8.250 nan 0.000 0.467 219 L N 1.847 123.093 121.223 0.038 0.000 2.410 219 L HA 0.176 4.516 4.340 -0.000 0.000 0.270 219 L C 1.156 178.072 176.870 0.075 0.000 0.983 219 L CA -0.404 54.464 54.840 0.047 0.000 0.822 219 L CB 2.117 44.199 42.059 0.037 0.000 1.285 219 L HN 0.596 nan 8.230 nan 0.000 0.409 220 S N 1.125 116.873 115.700 0.080 0.000 2.446 220 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 220 S C 0.467 175.168 174.600 0.167 0.000 1.016 220 S CA 0.280 58.553 58.200 0.123 0.000 0.943 220 S CB 0.230 63.499 63.200 0.115 0.000 0.786 220 S HN 0.616 nan 8.310 nan 0.000 0.508 221 K N -0.131 120.340 120.400 0.119 0.000 2.498 221 K HA 0.576 4.896 4.320 -0.000 0.000 0.254 221 K C -2.247 174.396 176.600 0.071 0.000 0.933 221 K CA -0.987 55.376 56.287 0.128 0.000 0.806 221 K CB 1.883 34.446 32.500 0.104 0.000 1.301 221 K HN 0.204 nan 8.250 nan 0.000 0.432 222 L N 1.901 123.166 121.223 0.071 0.000 2.365 222 L HA 0.590 4.930 4.340 -0.000 0.000 0.273 222 L C -1.368 175.535 176.870 0.056 0.000 1.000 222 L CA 0.170 55.025 54.840 0.025 0.000 0.819 222 L CB 2.336 44.379 42.059 -0.026 0.000 1.284 222 L HN 0.638 nan 8.230 nan 0.000 0.418 223 T N 4.023 118.596 114.554 0.031 0.000 2.812 223 T HA 0.632 4.982 4.350 -0.000 0.000 0.282 223 T C -0.982 173.720 174.700 0.002 0.000 0.990 223 T CA -0.397 61.745 62.100 0.071 0.000 0.960 223 T CB 1.570 70.500 68.868 0.104 0.000 0.948 223 T HN 0.359 nan 8.240 nan 0.000 0.438 224 V N 3.872 123.823 119.914 0.062 0.000 2.417 224 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 224 V C -0.290 175.815 176.094 0.017 0.000 1.024 224 V CA -0.739 61.547 62.300 -0.025 0.000 0.861 224 V CB 1.834 33.684 31.823 0.045 0.000 0.985 224 V HN 0.712 nan 8.190 nan 0.000 0.436 225 V N 5.616 125.415 119.914 -0.193 0.000 2.334 225 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 225 V C -0.421 175.645 176.094 -0.046 0.000 1.016 225 V CA -0.449 61.796 62.300 -0.092 0.000 0.832 225 V CB 1.114 32.656 31.823 -0.468 0.000 0.999 225 V HN 0.672 nan 8.190 nan 0.000 0.439 226 F N 3.584 123.505 119.950 -0.049 0.000 2.439 226 F HA 0.273 4.800 4.527 -0.000 0.000 0.356 226 F C 1.386 177.181 175.800 -0.008 0.000 1.161 226 F CA -0.023 57.928 58.000 -0.081 0.000 1.151 226 F CB 0.483 39.381 39.000 -0.170 0.000 1.222 226 F HN 0.547 nan 8.300 nan 0.000 0.558 227 E N 5.132 125.401 120.200 0.115 0.000 2.411 227 E HA 0.197 4.547 4.350 -0.000 0.000 0.204 227 E C -0.247 176.403 176.600 0.083 0.000 1.059 227 E CA 0.007 56.475 56.400 0.114 0.000 1.112 227 E CB 0.152 29.926 29.700 0.123 0.000 1.168 227 E HN 0.579 nan 8.360 nan 0.000 0.445 228 I N -1.780 118.853 120.570 0.105 0.000 2.969 228 I HA 0.397 4.567 4.170 -0.000 0.000 0.307 228 I C -0.776 175.422 176.117 0.136 0.000 1.149 228 I CA -1.339 60.019 61.300 0.098 0.000 1.008 228 I CB 2.065 40.110 38.000 0.075 0.000 1.232 228 I HN -0.210 nan 8.210 nan 0.000 0.435 229 N N 3.672 122.436 118.700 0.106 0.000 2.405 229 N HA 0.652 5.392 4.740 -0.000 0.000 0.299 229 N C -0.889 174.691 175.510 0.116 0.000 1.075 229 N CA -0.549 52.561 53.050 0.100 0.000 0.884 229 N CB 2.711 41.244 38.487 0.075 0.000 1.194 229 N HN 0.725 nan 8.380 nan 0.000 0.491 230 V N -1.880 118.098 119.914 0.107 0.000 2.841 230 V HA 0.444 4.564 4.120 -0.000 0.000 0.310 230 V C -0.580 175.627 176.094 0.189 0.000 1.090 230 V CA -1.174 61.213 62.300 0.145 0.000 0.930 230 V CB 1.466 33.395 31.823 0.176 0.000 1.014 230 V HN 0.816 nan 8.190 nan 0.000 0.425 231 D N 2.528 123.034 120.400 0.176 0.000 2.377 231 D HA 0.235 4.875 4.640 -0.000 0.000 0.245 231 D C 0.851 177.312 176.300 0.268 0.000 1.196 231 D CA -0.319 53.786 54.000 0.175 0.000 0.962 231 D CB 0.935 41.788 40.800 0.089 0.000 1.127 231 D HN 0.592 nan 8.370 nan 0.000 0.471 232 K N -0.355 120.140 120.400 0.159 0.000 2.074 232 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 232 K C 1.653 178.392 176.600 0.232 0.000 1.048 232 K CA 1.370 57.764 56.287 0.178 0.000 0.926 232 K CB -0.185 32.283 32.500 -0.054 0.000 0.713 232 K HN 0.364 nan 8.250 nan 0.000 0.444 233 N N 1.018 119.807 118.700 0.149 0.000 2.104 233 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 233 N C 1.734 177.367 175.510 0.206 0.000 1.024 233 N CA 1.011 54.149 53.050 0.146 0.000 0.853 233 N CB -0.221 38.319 38.487 0.088 0.000 1.008 233 N HN 0.079 nan 8.380 nan 0.000 0.424 234 L N -0.064 121.287 121.223 0.215 0.000 2.240 234 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 234 L C 1.925 179.010 176.870 0.358 0.000 1.106 234 L CA 0.847 55.842 54.840 0.259 0.000 0.793 234 L CB -0.549 41.626 42.059 0.194 0.000 0.927 234 L HN -0.015 nan 8.230 nan 0.000 0.446 235 F N 0.292 120.343 119.950 0.168 0.000 2.102 235 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 235 F C 2.718 178.621 175.800 0.172 0.000 1.105 235 F CA 1.838 59.887 58.000 0.081 0.000 1.239 235 F CB -0.322 38.641 39.000 -0.061 0.000 0.991 235 F HN 0.021 nan 8.300 nan 0.000 0.474 236 R N -0.647 119.919 120.500 0.111 0.000 2.083 236 R HA -0.245 4.095 4.340 -0.000 0.000 0.237 236 R C 2.437 178.738 176.300 0.003 0.000 1.137 236 R CA 2.045 58.133 56.100 -0.020 0.000 0.951 236 R CB -0.953 29.388 30.300 0.067 0.000 0.851 236 R HN 0.419 nan 8.270 nan 0.000 0.434 237 F N 0.606 120.561 119.950 0.008 0.000 2.134 237 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 237 F C 1.901 177.686 175.800 -0.026 0.000 1.097 237 F CA 1.588 59.599 58.000 0.017 0.000 1.264 237 F CB -0.535 38.503 39.000 0.063 0.000 1.001 237 F HN 0.075 nan 8.300 nan 0.000 0.479 238 F N 0.690 120.618 119.950 -0.037 0.000 2.091 238 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 238 F C 1.896 177.446 175.800 -0.417 0.000 1.103 238 F CA 2.052 59.954 58.000 -0.163 0.000 1.228 238 F CB -0.667 38.353 39.000 0.033 0.000 0.984 238 F HN -0.019 nan 8.300 nan 0.000 0.477 239 L N 0.123 121.014 121.223 -0.553 0.000 2.027 239 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 239 L C 2.460 178.660 176.870 -1.117 0.000 1.074 239 L CA 1.803 56.056 54.840 -0.978 0.000 0.745 239 L CB -0.838 40.728 42.059 -0.822 0.000 0.898 239 L HN 0.169 nan 8.230 nan 0.000 0.433 240 E N -0.575 119.287 120.200 -0.563 0.000 2.097 240 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 240 E C 2.040 178.479 176.600 -0.269 0.000 1.000 240 E CA 1.929 58.192 56.400 -0.228 0.000 0.804 240 E CB -0.109 29.541 29.700 -0.083 0.000 0.740 240 E HN 0.469 nan 8.360 nan 0.000 0.454 241 T N 1.145 115.378 114.554 -0.535 0.000 2.851 241 T HA -0.083 4.267 4.350 -0.000 0.000 0.262 241 T C 1.791 176.284 174.700 -0.344 0.000 1.043 241 T CA 0.548 62.367 62.100 -0.469 0.000 1.140 241 T CB -0.214 68.217 68.868 -0.728 0.000 0.872 241 T HN 0.028 nan 8.240 nan 0.000 0.446 242 L N 1.017 121.879 121.223 -0.602 0.000 1.990 242 L HA -0.079 4.261 4.340 -0.000 0.000 0.213 242 L C 1.946 178.698 176.870 -0.196 0.000 1.072 242 L CA 1.914 56.428 54.840 -0.544 0.000 0.755 242 L CB -1.053 40.472 42.059 -0.889 0.000 0.889 242 L HN 0.115 nan 8.230 nan 0.000 0.432 243 F N -1.135 118.646 119.950 -0.282 0.000 2.069 243 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 243 F C 2.570 178.234 175.800 -0.227 0.000 1.113 243 F CA 1.503 59.267 58.000 -0.395 0.000 1.214 243 F CB -1.663 36.896 39.000 -0.735 0.000 0.978 243 F HN 0.197 nan 8.300 nan 0.000 0.474 244 Y N 1.164 121.543 120.300 0.131 0.000 2.145 244 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 244 Y C 2.340 178.309 175.900 0.116 0.000 1.145 244 Y CA 1.777 60.020 58.100 0.239 0.000 1.148 244 Y CB -0.239 38.342 38.460 0.201 0.000 0.981 244 Y HN -0.043 nan 8.280 nan 0.000 0.507 245 E N -1.034 119.252 120.200 0.143 0.000 2.208 245 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 245 E C 1.861 178.508 176.600 0.079 0.000 0.988 245 E CA 0.853 57.289 56.400 0.060 0.000 0.828 245 E CB -0.604 29.114 29.700 0.030 0.000 0.763 245 E HN 0.561 nan 8.360 nan 0.000 0.478 246 Y N 0.930 121.184 120.300 -0.076 0.000 2.286 246 Y HA 0.020 4.570 4.550 -0.000 0.000 0.293 246 Y C 1.011 176.964 175.900 0.088 0.000 1.124 246 Y CA 0.212 58.293 58.100 -0.032 0.000 1.178 246 Y CB -0.180 38.263 38.460 -0.029 0.000 1.010 246 Y HN -0.029 nan 8.280 nan 0.000 0.536 247 M N 1.517 121.103 119.600 -0.023 0.000 2.269 247 M HA 0.113 4.593 4.480 -0.000 0.000 0.350 247 M C -0.627 175.619 176.300 -0.090 0.000 1.429 247 M CA 0.792 55.985 55.300 -0.179 0.000 1.063 247 M CB 0.159 32.459 32.600 -0.499 0.000 1.841 247 M HN 0.035 nan 8.290 nan 0.000 0.455 248 T N 4.477 119.045 114.554 0.023 0.000 2.758 248 T HA 0.209 4.559 4.350 -0.000 0.000 0.285 248 T C -0.827 173.912 174.700 0.065 0.000 0.981 248 T CA -0.573 61.547 62.100 0.034 0.000 0.965 248 T CB 0.521 69.396 68.868 0.012 0.000 0.927 248 T HN 0.570 nan 8.240 nan 0.000 0.448 249 D N 2.842 123.302 120.400 0.101 0.000 2.352 249 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 249 D C 0.553 176.884 176.300 0.052 0.000 1.224 249 D CA -0.129 53.948 54.000 0.128 0.000 0.879 249 D CB 0.691 41.564 40.800 0.122 0.000 1.057 249 D HN 0.540 nan 8.370 nan 0.000 0.491 250 E N 2.965 123.170 120.200 0.009 0.000 2.624 250 E HA 0.096 4.446 4.350 -0.000 0.000 0.210 250 E C 1.361 177.898 176.600 -0.105 0.000 0.997 250 E CA -0.231 56.157 56.400 -0.020 0.000 0.999 250 E CB 0.627 30.319 29.700 -0.014 0.000 1.040 250 E HN 0.389 nan 8.360 nan 0.000 0.469 251 R N -0.091 120.273 120.500 -0.227 0.000 2.170 251 R HA -0.112 4.228 4.340 -0.000 0.000 0.242 251 R C 0.913 176.785 176.300 -0.712 0.000 1.145 251 R CA 1.377 57.149 56.100 -0.548 0.000 0.984 251 R CB -0.053 29.719 30.300 -0.880 0.000 0.869 251 R HN 0.144 nan 8.270 nan 0.000 0.455 252 F N 0.015 119.901 119.950 -0.107 0.000 2.682 252 F HA 0.209 4.736 4.527 0.000 0.000 0.308 252 F C 0.400 176.171 175.800 -0.049 0.000 1.093 252 F CA -0.466 57.469 58.000 -0.109 0.000 1.244 252 F CB 0.482 39.393 39.000 -0.148 0.000 1.052 252 F HN -0.368 nan 8.300 nan 0.000 0.573 253 K N 0.905 121.347 120.400 0.069 0.000 2.270 253 K HA 0.291 4.611 4.320 -0.000 0.000 0.276 253 K C 0.903 177.517 176.600 0.023 0.000 1.023 253 K CA 0.413 56.726 56.287 0.044 0.000 0.955 253 K CB 1.614 34.124 32.500 0.017 0.000 0.975 253 K HN 0.228 nan 8.250 nan 0.000 0.471 254 S N -0.462 115.255 115.700 0.029 0.000 3.829 254 S HA -0.094 4.376 4.470 -0.000 0.000 0.201 254 S C 1.714 176.322 174.600 0.013 0.000 1.005 254 S CA 0.478 58.690 58.200 0.019 0.000 0.935 254 S CB -0.456 62.762 63.200 0.031 0.000 1.181 254 S HN 0.591 nan 8.310 nan 0.000 0.622 255 T N -0.276 114.288 114.554 0.017 0.000 2.995 255 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 255 T C 0.793 175.496 174.700 0.006 0.000 1.091 255 T CA 1.706 63.812 62.100 0.010 0.000 1.128 255 T CB -0.617 68.258 68.868 0.012 0.000 0.891 255 T HN 0.454 nan 8.240 nan 0.000 0.492 256 D N 0.572 120.977 120.400 0.008 0.000 2.755 256 D HA 0.235 4.875 4.640 -0.000 0.000 0.257 256 D C -0.158 176.140 176.300 -0.004 0.000 1.291 256 D CA -0.508 53.493 54.000 0.003 0.000 0.836 256 D CB -0.049 40.755 40.800 0.007 0.000 1.059 256 D HN 0.319 nan 8.370 nan 0.000 0.486 257 K N 0.474 120.870 120.400 -0.007 0.000 2.436 257 K HA 0.137 4.457 4.320 -0.000 0.000 0.275 257 K C 0.742 177.327 176.600 -0.025 0.000 0.999 257 K CA 0.429 56.706 56.287 -0.016 0.000 0.980 257 K CB 0.550 33.042 32.500 -0.014 0.000 0.919 257 K HN 0.302 nan 8.250 nan 0.000 0.484 258 N N 0.685 119.361 118.700 -0.040 0.000 2.964 258 N HA -0.211 4.529 4.740 -0.000 0.000 0.173 258 N C 0.994 176.472 175.510 -0.053 0.000 1.166 258 N CA 1.303 54.324 53.050 -0.048 0.000 1.046 258 N CB -1.735 36.735 38.487 -0.029 0.000 0.981 258 N HN 0.362 nan 8.380 nan 0.000 0.559 259 V N 0.497 120.386 119.914 -0.042 0.000 2.258 259 V HA -0.394 3.726 4.120 -0.000 0.000 0.259 259 V C 1.765 177.834 176.094 -0.042 0.000 1.076 259 V CA 2.973 65.251 62.300 -0.036 0.000 1.084 259 V CB -0.804 31.000 31.823 -0.032 0.000 0.706 259 V HN 0.654 nan 8.190 nan 0.000 0.461 260 N N -0.624 118.042 118.700 -0.057 0.000 2.251 260 N HA 0.283 5.023 4.740 -0.000 0.000 0.217 260 N C 0.300 175.760 175.510 -0.082 0.000 1.124 260 N CA 0.062 53.077 53.050 -0.059 0.000 0.843 260 N CB 0.825 39.279 38.487 -0.055 0.000 1.024 260 N HN 0.788 nan 8.380 nan 0.000 0.501 261 M N 2.066 121.603 119.600 -0.106 0.000 2.094 261 M HA 0.097 4.577 4.480 -0.000 0.000 0.348 261 M C -0.764 175.435 176.300 -0.168 0.000 1.267 261 M CA -0.054 55.136 55.300 -0.182 0.000 1.125 261 M CB 0.189 32.665 32.600 -0.207 0.000 1.527 261 M HN 0.076 nan 8.290 nan 0.000 0.447 262 E N 4.437 124.528 120.200 -0.182 0.000 2.263 262 E HA 0.300 4.650 4.350 -0.000 0.000 0.268 262 E C -1.844 174.684 176.600 -0.119 0.000 0.884 262 E CA -0.834 55.508 56.400 -0.097 0.000 0.766 262 E CB 1.056 30.754 29.700 -0.005 0.000 1.196 262 E HN 0.498 nan 8.360 nan 0.000 0.416 263 Y N 2.430 122.701 120.300 -0.048 0.000 2.336 263 Y HA 0.159 4.709 4.550 -0.000 0.000 0.331 263 Y C 1.259 177.201 175.900 0.070 0.000 1.211 263 Y CA -0.797 57.289 58.100 -0.024 0.000 1.346 263 Y CB 0.540 38.882 38.460 -0.197 0.000 1.271 263 Y HN 0.492 nan 8.280 nan 0.000 0.538 264 I N -0.200 120.575 120.570 0.340 0.000 2.948 264 I HA 0.019 4.189 4.170 -0.000 0.000 0.290 264 I C 0.392 176.589 176.117 0.133 0.000 1.226 264 I CA -0.080 61.350 61.300 0.216 0.000 1.413 264 I CB 0.684 38.801 38.000 0.196 0.000 1.352 264 I HN 0.674 nan 8.210 nan 0.000 0.597 265 K N 2.261 122.698 120.400 0.061 0.000 2.354 265 K HA 0.272 4.592 4.320 -0.000 0.000 0.194 265 K C -0.314 176.026 176.600 -0.433 0.000 1.045 265 K CA 0.119 56.309 56.287 -0.161 0.000 1.026 265 K CB 0.198 32.594 32.500 -0.173 0.000 0.866 265 K HN 0.628 nan 8.250 nan 0.000 0.530 266 H N -0.132 118.972 119.070 0.056 0.000 2.806 266 H HA 0.315 4.871 4.556 -0.000 0.000 0.367 266 H C -1.588 173.779 175.328 0.065 0.000 1.136 266 H CA -1.035 55.045 56.048 0.052 0.000 1.178 266 H CB 2.272 32.066 29.762 0.055 0.000 1.718 266 H HN -0.131 nan 8.280 nan 0.000 0.540 267 L N 1.561 122.890 121.223 0.177 0.000 2.406 267 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 267 L C -0.420 176.529 176.870 0.132 0.000 0.980 267 L CA -0.181 54.747 54.840 0.146 0.000 0.831 267 L CB 1.836 43.984 42.059 0.148 0.000 1.253 267 L HN 0.780 nan 8.230 nan 0.000 0.406 268 G N 4.006 112.890 108.800 0.139 0.000 2.416 268 G HA2 0.651 4.611 3.960 -0.000 0.000 0.329 268 G HA3 0.651 4.611 3.960 -0.000 0.000 0.329 268 G C -1.693 173.274 174.900 0.112 0.000 1.173 268 G CA -0.528 44.648 45.100 0.126 0.000 0.929 268 G HN 0.505 nan 8.290 nan 0.000 0.475 269 V N 1.914 121.834 119.914 0.009 0.000 2.588 269 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 269 V C -1.340 174.737 176.094 -0.030 0.000 1.042 269 V CA -0.807 61.558 62.300 0.109 0.000 0.877 269 V CB 1.574 33.528 31.823 0.219 0.000 0.996 269 V HN 0.699 nan 8.190 nan 0.000 0.425 270 Y N 4.997 125.394 120.300 0.161 0.000 2.328 270 Y HA 0.777 5.327 4.550 -0.000 0.000 0.337 270 Y C -0.023 175.908 175.900 0.051 0.000 0.966 270 Y CA -0.396 57.775 58.100 0.118 0.000 1.136 270 Y CB 1.844 40.359 38.460 0.091 0.000 1.170 270 Y HN 0.562 nan 8.280 nan 0.000 0.470 271 I N 2.473 123.076 120.570 0.056 0.000 2.918 271 I HA 0.313 4.483 4.170 -0.000 0.000 0.301 271 I C -1.231 174.832 176.117 -0.089 0.000 1.312 271 I CA -0.858 60.350 61.300 -0.154 0.000 1.007 271 I CB 1.645 39.215 38.000 -0.716 0.000 1.281 271 I HN 0.555 nan 8.210 nan 0.000 0.440 272 N N 5.255 123.913 118.700 -0.069 0.000 2.492 272 N HA 0.112 4.852 4.740 -0.000 0.000 0.260 272 N C -0.436 175.117 175.510 0.071 0.000 1.215 272 N CA 0.618 53.678 53.050 0.016 0.000 0.923 272 N CB 0.204 38.712 38.487 0.036 0.000 1.092 272 N HN 0.626 nan 8.380 nan 0.000 0.448 273 N N 0.153 118.897 118.700 0.073 0.000 2.714 273 N HA -0.226 4.514 4.740 -0.000 0.000 0.253 273 N C 0.662 176.243 175.510 0.119 0.000 1.024 273 N CA 0.683 53.777 53.050 0.073 0.000 0.726 273 N CB -1.118 37.399 38.487 0.050 0.000 0.908 273 N HN 0.670 nan 8.380 nan 0.000 0.542 274 A N 0.113 122.975 122.820 0.070 0.000 1.986 274 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 274 A C 1.869 179.464 177.584 0.017 0.000 1.171 274 A CA 1.833 53.889 52.037 0.031 0.000 0.640 274 A CB -0.074 18.910 19.000 -0.027 0.000 0.811 274 A HN 0.347 nan 8.150 nan 0.000 0.451 275 D N -0.481 119.913 120.400 -0.009 0.000 2.182 275 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 275 D C 2.240 178.491 176.300 -0.081 0.000 0.986 275 D CA 1.968 55.944 54.000 -0.038 0.000 0.847 275 D CB -0.398 40.383 40.800 -0.032 0.000 0.942 275 D HN 0.664 nan 8.370 nan 0.000 0.467 276 T N -2.578 111.884 114.554 -0.153 0.000 3.067 276 T HA -0.094 4.256 4.350 -0.000 0.000 0.261 276 T C 1.781 176.253 174.700 -0.381 0.000 1.110 276 T CA 0.495 62.425 62.100 -0.284 0.000 1.113 276 T CB -0.400 68.227 68.868 -0.401 0.000 0.917 276 T HN 0.115 nan 8.240 nan 0.000 0.499 277 Y N 1.537 121.713 120.300 -0.205 0.000 2.490 277 Y HA 0.370 4.920 4.550 -0.000 0.000 0.285 277 Y C 2.482 178.316 175.900 -0.110 0.000 1.117 277 Y CA -0.157 57.772 58.100 -0.286 0.000 1.262 277 Y CB 0.007 38.013 38.460 -0.757 0.000 1.043 277 Y HN 0.119 nan 8.280 nan 0.000 0.553 278 K N 0.348 120.768 120.400 0.034 0.000 2.103 278 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 278 K C 2.258 178.895 176.600 0.062 0.000 1.048 278 K CA 1.540 57.854 56.287 0.045 0.000 0.930 278 K CB -0.294 32.200 32.500 -0.009 0.000 0.716 278 K HN 0.478 nan 8.250 nan 0.000 0.444 279 E N 2.007 122.223 120.200 0.027 0.000 2.204 279 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 279 E C 1.687 178.314 176.600 0.045 0.000 0.990 279 E CA 1.221 57.631 56.400 0.017 0.000 0.821 279 E CB -0.472 29.217 29.700 -0.019 0.000 0.750 279 E HN 0.318 nan 8.360 nan 0.000 0.477 280 E N 0.163 120.431 120.200 0.112 0.000 2.338 280 E HA -0.053 4.297 4.350 -0.000 0.000 0.197 280 E C 2.267 178.940 176.600 0.122 0.000 1.007 280 E CA 0.907 57.392 56.400 0.142 0.000 0.849 280 E CB -0.145 29.757 29.700 0.336 0.000 0.774 280 E HN 0.488 nan 8.360 nan 0.000 0.506 281 V N 1.749 121.759 119.914 0.160 0.000 2.237 281 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 281 V C 2.216 178.385 176.094 0.124 0.000 1.046 281 V CA 1.707 64.094 62.300 0.145 0.000 1.007 281 V CB -0.296 31.617 31.823 0.150 0.000 0.638 281 V HN 0.141 nan 8.190 nan 0.000 0.445 282 E N -0.091 120.160 120.200 0.085 0.000 2.208 282 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 282 E C 2.128 178.766 176.600 0.063 0.000 0.988 282 E CA 0.799 57.247 56.400 0.080 0.000 0.828 282 E CB -0.222 29.511 29.700 0.054 0.000 0.763 282 E HN 0.576 nan 8.360 nan 0.000 0.478 283 K N 0.854 121.249 120.400 -0.009 0.000 2.057 283 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 283 K C 2.038 178.556 176.600 -0.136 0.000 1.049 283 K CA 1.289 57.490 56.287 -0.143 0.000 0.931 283 K CB -0.054 32.293 32.500 -0.256 0.000 0.714 283 K HN 0.052 nan 8.250 nan 0.000 0.440 284 A N 1.165 123.975 122.820 -0.017 0.000 1.933 284 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 284 A C 2.094 179.890 177.584 0.354 0.000 1.175 284 A CA 1.706 53.802 52.037 0.100 0.000 0.628 284 A CB -0.501 18.497 19.000 -0.002 0.000 0.814 284 A HN 0.370 nan 8.150 nan 0.000 0.444 285 R N -0.488 120.226 120.500 0.356 0.000 2.075 285 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 285 R C 1.867 178.449 176.300 0.470 0.000 1.126 285 R CA 1.761 58.086 56.100 0.374 0.000 0.963 285 R CB -0.628 29.775 30.300 0.172 0.000 0.858 285 R HN 0.238 nan 8.270 nan 0.000 0.435 286 V N 0.109 120.264 119.914 0.402 0.000 2.295 286 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 286 V C 1.969 178.446 176.094 0.638 0.000 1.049 286 V CA 1.713 64.328 62.300 0.524 0.000 1.024 286 V CB -0.688 31.318 31.823 0.304 0.000 0.648 286 V HN 0.319 nan 8.190 nan 0.000 0.447 287 Y N -0.330 120.140 120.300 0.283 0.000 2.181 287 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 287 Y C 2.501 178.534 175.900 0.222 0.000 1.146 287 Y CA 1.295 59.521 58.100 0.209 0.000 1.164 287 Y CB -1.292 37.255 38.460 0.144 0.000 0.982 287 Y HN 0.475 nan 8.280 nan 0.000 0.515 288 Y N -0.538 119.988 120.300 0.377 0.000 2.128 288 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 288 Y C 2.310 178.407 175.900 0.328 0.000 1.154 288 Y CA 1.662 59.955 58.100 0.322 0.000 1.149 288 Y CB -1.257 37.430 38.460 0.378 0.000 0.976 288 Y HN 0.039 nan 8.280 nan 0.000 0.505 289 F N 1.124 120.883 119.950 -0.318 0.000 2.146 289 F HA 0.047 4.574 4.527 0.000 0.000 0.298 289 F C 2.457 178.127 175.800 -0.216 0.000 1.096 289 F CA 1.666 59.391 58.000 -0.458 0.000 1.275 289 F CB -0.918 37.963 39.000 -0.198 0.000 1.008 289 F HN 0.141 nan 8.300 nan 0.000 0.480 290 G N -1.276 107.490 108.800 -0.057 0.000 2.440 290 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 290 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 290 G C 1.696 176.509 174.900 -0.146 0.000 1.154 290 G CA 1.497 46.580 45.100 -0.029 0.000 0.767 290 G HN 0.451 nan 8.290 nan 0.000 0.552 291 T N -2.116 112.362 114.554 -0.126 0.000 2.942 291 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 291 T C 2.093 176.765 174.700 -0.047 0.000 1.062 291 T CA 1.288 63.313 62.100 -0.125 0.000 1.139 291 T CB -0.280 68.469 68.868 -0.198 0.000 0.883 291 T HN 0.276 nan 8.240 nan 0.000 0.468 292 Y N 0.124 120.292 120.300 -0.220 0.000 2.263 292 Y HA 0.056 4.606 4.550 -0.000 0.000 0.292 292 Y C 2.066 177.729 175.900 -0.395 0.000 1.130 292 Y CA 0.787 58.781 58.100 -0.178 0.000 1.179 292 Y CB -0.617 37.602 38.460 -0.401 0.000 0.998 292 Y HN 0.379 nan 8.280 nan 0.000 0.532 293 Y N 0.332 120.073 120.300 -0.932 0.000 2.145 293 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 293 Y C 2.460 178.059 175.900 -0.502 0.000 1.145 293 Y CA 1.904 59.464 58.100 -0.901 0.000 1.148 293 Y CB -0.892 36.910 38.460 -1.097 0.000 0.981 293 Y HN 0.125 nan 8.280 nan 0.000 0.507 294 A N -0.611 122.016 122.820 -0.322 0.000 1.873 294 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 294 A C 2.514 179.937 177.584 -0.269 0.000 1.193 294 A CA 2.321 54.207 52.037 -0.251 0.000 0.629 294 A CB -1.663 17.279 19.000 -0.098 0.000 0.826 294 A HN 0.548 nan 8.150 nan 0.000 0.447 295 S N -0.773 114.793 115.700 -0.223 0.000 2.380 295 S HA -0.302 4.168 4.470 -0.000 0.000 0.229 295 S C 2.170 176.581 174.600 -0.314 0.000 1.043 295 S CA 2.031 60.121 58.200 -0.183 0.000 1.038 295 S CB -0.453 62.721 63.200 -0.044 0.000 0.872 295 S HN 0.678 nan 8.310 nan 0.000 0.456 296 Q N 0.057 119.519 119.800 -0.563 0.000 2.084 296 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 296 Q C 2.345 178.149 176.000 -0.327 0.000 0.978 296 Q CA 1.667 57.172 55.803 -0.495 0.000 0.844 296 Q CB -0.310 28.045 28.738 -0.637 0.000 0.898 296 Q HN 0.556 nan 8.270 nan 0.000 0.426 297 L N 0.065 121.040 121.223 -0.413 0.000 2.056 297 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 297 L C 2.308 179.107 176.870 -0.119 0.000 1.078 297 L CA 0.950 55.621 54.840 -0.282 0.000 0.749 297 L CB -0.423 41.421 42.059 -0.358 0.000 0.901 297 L HN 0.227 nan 8.230 nan 0.000 0.433 298 I N 0.113 120.636 120.570 -0.079 0.000 2.202 298 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 298 I C 2.823 179.030 176.117 0.150 0.000 1.091 298 I CA 1.200 62.539 61.300 0.065 0.000 1.368 298 I CB -0.494 37.587 38.000 0.136 0.000 1.058 298 I HN 0.177 nan 8.210 nan 0.000 0.410 299 A N 0.953 123.846 122.820 0.121 0.000 1.972 299 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 299 A C 1.615 179.218 177.584 0.033 0.000 1.169 299 A CA 1.003 53.130 52.037 0.150 0.000 0.635 299 A CB -0.795 18.251 19.000 0.077 0.000 0.810 299 A HN 0.370 nan 8.150 nan 0.000 0.446 300 A N 0.951 123.783 122.820 0.020 0.000 2.524 300 A HA 0.475 4.795 4.320 -0.000 0.000 0.250 300 A C -2.211 175.326 177.584 -0.078 0.000 1.078 300 A CA -1.003 51.016 52.037 -0.030 0.000 0.761 300 A CB -0.350 18.708 19.000 0.097 0.000 1.012 300 A HN 0.290 nan 8.150 nan 0.000 0.500 301 P HA 0.159 nan 4.420 nan 0.000 0.273 301 P C 0.843 178.157 177.300 0.022 0.000 1.250 301 P CA -0.226 62.823 63.100 -0.086 0.000 0.793 301 P CB 0.586 32.208 31.700 -0.131 0.000 1.011 302 S N 0.290 115.987 115.700 -0.004 0.000 2.453 302 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 302 S C 1.524 176.091 174.600 -0.055 0.000 1.005 302 S CA 0.961 59.156 58.200 -0.009 0.000 0.949 302 S CB -0.889 62.307 63.200 -0.007 0.000 0.774 302 S HN 0.636 nan 8.310 nan 0.000 0.510 303 N N 0.778 119.448 118.700 -0.051 0.000 2.244 303 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 303 N C 1.232 176.660 175.510 -0.137 0.000 1.016 303 N CA 1.308 54.307 53.050 -0.084 0.000 0.866 303 N CB -0.670 37.745 38.487 -0.120 0.000 0.980 303 N HN 0.460 nan 8.380 nan 0.000 0.430 304 Y N 0.432 120.705 120.300 -0.045 0.000 2.231 304 Y HA 0.164 4.714 4.550 -0.000 0.000 0.294 304 Y C 1.184 177.056 175.900 -0.047 0.000 1.120 304 Y CA 0.458 58.559 58.100 0.002 0.000 1.141 304 Y CB -0.096 38.422 38.460 0.098 0.000 1.022 304 Y HN 0.131 nan 8.280 nan 0.000 0.523 305 C N 3.066 122.427 119.300 0.102 0.000 2.176 305 C HA 0.488 4.948 4.460 -0.000 0.000 0.329 305 C C -0.314 174.611 174.990 -0.109 0.000 1.113 305 C CA -0.827 58.192 59.018 0.002 0.000 1.562 305 C CB -2.542 25.209 27.740 0.019 0.000 2.040 305 C HN 0.565 nan 8.230 nan 0.000 0.460 306 N N 4.227 122.790 118.700 -0.227 0.000 2.577 306 N HA 0.656 5.396 4.740 -0.000 0.000 0.285 306 N C -2.584 172.757 175.510 -0.282 0.000 1.309 306 N CA -1.715 51.065 53.050 -0.450 0.000 0.798 306 N CB 0.759 38.534 38.487 -1.187 0.000 1.463 306 N HN 0.049 nan 8.380 nan 0.000 0.518 307 P HA -0.088 nan 4.420 nan 0.000 0.218 307 P C 0.992 178.289 177.300 -0.006 0.000 1.148 307 P CA 0.749 63.827 63.100 -0.038 0.000 0.822 307 P CB 0.241 31.979 31.700 0.063 0.000 0.784 308 V N 0.075 119.978 119.914 -0.019 0.000 2.346 308 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 308 V C 2.526 178.629 176.094 0.015 0.000 1.037 308 V CA 2.331 64.656 62.300 0.042 0.000 1.029 308 V CB -1.542 30.345 31.823 0.107 0.000 0.663 308 V HN 0.248 nan 8.190 nan 0.000 0.454 309 S N -0.167 115.515 115.700 -0.031 0.000 2.423 309 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 309 S C 2.032 176.634 174.600 0.002 0.000 1.014 309 S CA 1.221 59.418 58.200 -0.006 0.000 0.965 309 S CB -0.460 62.733 63.200 -0.012 0.000 0.785 309 S HN 0.480 nan 8.310 nan 0.000 0.495 310 L N 1.988 123.200 121.223 -0.019 0.000 2.072 310 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 310 L C 2.821 179.702 176.870 0.019 0.000 1.079 310 L CA 1.755 56.590 54.840 -0.009 0.000 0.752 310 L CB -0.653 41.390 42.059 -0.026 0.000 0.906 310 L HN 0.627 nan 8.230 nan 0.000 0.436 311 S N -0.813 114.905 115.700 0.030 0.000 2.406 311 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 311 S C 1.644 176.273 174.600 0.048 0.000 1.020 311 S CA 0.949 59.180 58.200 0.053 0.000 0.965 311 S CB -0.524 62.723 63.200 0.079 0.000 0.798 311 S HN 0.443 nan 8.310 nan 0.000 0.488 312 N N 2.850 121.576 118.700 0.043 0.000 2.120 312 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 312 N C 1.981 177.510 175.510 0.033 0.000 1.024 312 N CA 1.575 54.646 53.050 0.035 0.000 0.852 312 N CB -1.017 37.495 38.487 0.041 0.000 1.003 312 N HN 0.606 nan 8.380 nan 0.000 0.424 313 A N 0.816 123.669 122.820 0.055 0.000 1.908 313 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 313 A C 2.337 179.988 177.584 0.112 0.000 1.181 313 A CA 2.023 54.121 52.037 0.101 0.000 0.627 313 A CB -0.842 18.215 19.000 0.095 0.000 0.818 313 A HN 0.329 nan 8.150 nan 0.000 0.445 314 A N -0.696 122.169 122.820 0.076 0.000 1.898 314 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 314 A C 2.219 179.780 177.584 -0.037 0.000 1.181 314 A CA 1.652 53.727 52.037 0.063 0.000 0.620 314 A CB -0.865 18.175 19.000 0.067 0.000 0.819 314 A HN 0.373 nan 8.150 nan 0.000 0.442 315 V N 0.202 120.052 119.914 -0.108 0.000 2.343 315 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 315 V C 2.558 178.442 176.094 -0.351 0.000 1.051 315 V CA 2.387 64.459 62.300 -0.380 0.000 1.036 315 V CB -0.674 30.947 31.823 -0.336 0.000 0.654 315 V HN 0.824 nan 8.190 nan 0.000 0.451 316 E N -0.116 119.999 120.200 -0.141 0.000 2.106 316 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 316 E C 2.188 178.744 176.600 -0.074 0.000 0.984 316 E CA 1.383 57.733 56.400 -0.083 0.000 0.806 316 E CB -0.141 29.572 29.700 0.022 0.000 0.750 316 E HN 0.461 nan 8.360 nan 0.000 0.458 317 L N 0.867 122.083 121.223 -0.012 0.000 2.046 317 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 317 L C 2.308 179.139 176.870 -0.066 0.000 1.077 317 L CA 2.177 57.003 54.840 -0.023 0.000 0.747 317 L CB -0.605 41.447 42.059 -0.011 0.000 0.896 317 L HN 0.208 nan 8.230 nan 0.000 0.432 318 A N -1.299 121.463 122.820 -0.097 0.000 1.930 318 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 318 A C 2.186 179.758 177.584 -0.019 0.000 1.175 318 A CA 1.671 53.679 52.037 -0.048 0.000 0.627 318 A CB -0.527 18.460 19.000 -0.022 0.000 0.815 318 A HN 0.643 nan 8.150 nan 0.000 0.443 319 Q N -0.297 119.436 119.800 -0.111 0.000 2.050 319 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 319 Q C 2.017 177.995 176.000 -0.037 0.000 0.980 319 Q CA 1.775 57.553 55.803 -0.042 0.000 0.840 319 Q CB -0.197 28.489 28.738 -0.085 0.000 0.898 319 Q HN 0.628 nan 8.270 nan 0.000 0.424 320 K N 0.236 120.588 120.400 -0.081 0.000 2.209 320 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 320 K C 1.639 178.208 176.600 -0.051 0.000 1.048 320 K CA 0.828 57.056 56.287 -0.098 0.000 0.940 320 K CB 0.111 32.504 32.500 -0.178 0.000 0.729 320 K HN 0.196 nan 8.250 nan 0.000 0.451 321 L N -0.574 120.635 121.223 -0.023 0.000 2.640 321 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 321 L C 0.736 177.625 176.870 0.033 0.000 1.123 321 L CA 0.296 55.134 54.840 -0.005 0.000 0.900 321 L CB -0.632 41.417 42.059 -0.017 0.000 1.146 321 L HN 0.356 nan 8.230 nan 0.000 0.484 322 N N 0.779 119.504 118.700 0.042 0.000 2.754 322 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 322 N C 0.078 175.647 175.510 0.098 0.000 1.093 322 N CA 1.041 54.131 53.050 0.067 0.000 0.699 322 N CB -2.596 35.918 38.487 0.045 0.000 1.016 322 N HN 0.285 nan 8.380 nan 0.000 0.552 323 L N 0.113 121.412 121.223 0.126 0.000 2.375 323 L HA 0.437 4.777 4.340 -0.000 0.000 0.271 323 L C 1.059 178.051 176.870 0.204 0.000 1.107 323 L CA -0.669 54.268 54.840 0.163 0.000 0.806 323 L CB 1.472 43.628 42.059 0.161 0.000 1.146 323 L HN 0.485 nan 8.230 nan 0.000 0.447 324 E N 2.016 122.299 120.200 0.139 0.000 2.392 324 E HA 0.139 4.489 4.350 -0.000 0.000 0.264 324 E C -1.256 175.447 176.600 0.172 0.000 1.024 324 E CA 0.035 56.480 56.400 0.076 0.000 0.903 324 E CB 0.646 30.349 29.700 0.003 0.000 0.963 324 E HN 0.407 nan 8.360 nan 0.000 0.432 325 Y N -0.004 120.321 120.300 0.042 0.000 2.571 325 Y HA 0.730 5.280 4.550 -0.000 0.000 0.341 325 Y C -0.688 175.245 175.900 0.055 0.000 1.076 325 Y CA -1.360 56.781 58.100 0.068 0.000 1.029 325 Y CB 1.669 40.180 38.460 0.084 0.000 1.308 325 Y HN 0.552 nan 8.280 nan 0.000 0.461 326 K N 3.557 124.081 120.400 0.207 0.000 2.553 326 K HA 0.569 4.889 4.320 -0.000 0.000 0.250 326 K C -2.173 174.606 176.600 0.299 0.000 0.953 326 K CA -0.624 55.761 56.287 0.163 0.000 0.800 326 K CB 1.460 34.009 32.500 0.081 0.000 1.243 326 K HN 0.763 nan 8.250 nan 0.000 0.435 327 I N 5.454 126.189 120.570 0.275 0.000 2.339 327 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 327 I C -0.594 175.654 176.117 0.218 0.000 0.994 327 I CA -0.933 60.524 61.300 0.261 0.000 1.191 327 I CB 0.953 39.086 38.000 0.221 0.000 1.343 327 I HN 0.528 nan 8.210 nan 0.000 0.458 328 L N 6.001 127.368 121.223 0.241 0.000 2.290 328 L HA 0.573 4.913 4.340 -0.000 0.000 0.284 328 L C 0.995 177.969 176.870 0.174 0.000 1.078 328 L CA 0.229 55.171 54.840 0.170 0.000 0.815 328 L CB 0.942 43.059 42.059 0.097 0.000 1.162 328 L HN 0.696 nan 8.230 nan 0.000 0.435 329 G N 1.904 110.777 108.800 0.121 0.000 2.537 329 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 329 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 329 G C 0.944 175.884 174.900 0.065 0.000 1.310 329 G CA -0.610 44.549 45.100 0.097 0.000 1.027 329 G HN 0.376 nan 8.290 nan 0.000 0.505 330 V N -0.066 119.869 119.914 0.035 0.000 2.324 330 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 330 V C 3.124 179.223 176.094 0.008 0.000 1.060 330 V CA 2.428 64.729 62.300 0.001 0.000 1.042 330 V CB -0.667 31.148 31.823 -0.014 0.000 0.650 330 V HN 0.595 nan 8.190 nan 0.000 0.450 331 K N -0.370 120.042 120.400 0.020 0.000 2.057 331 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 331 K C 2.082 178.696 176.600 0.023 0.000 1.050 331 K CA 1.825 58.123 56.287 0.019 0.000 0.935 331 K CB -0.374 32.139 32.500 0.021 0.000 0.715 331 K HN 0.833 nan 8.250 nan 0.000 0.439 332 E N 0.249 120.468 120.200 0.033 0.000 2.152 332 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 332 E C 2.185 178.802 176.600 0.029 0.000 0.983 332 E CA 1.352 57.773 56.400 0.035 0.000 0.818 332 E CB -0.151 29.577 29.700 0.047 0.000 0.758 332 E HN 0.317 nan 8.360 nan 0.000 0.467 333 L N 1.004 122.246 121.223 0.031 0.000 2.093 333 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 333 L C 2.288 179.173 176.870 0.024 0.000 1.085 333 L CA 1.108 55.969 54.840 0.034 0.000 0.755 333 L CB -0.297 41.795 42.059 0.055 0.000 0.904 333 L HN 0.100 nan 8.230 nan 0.000 0.435 334 E N -0.054 120.153 120.200 0.011 0.000 2.051 334 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 334 E C 2.228 178.838 176.600 0.017 0.000 0.991 334 E CA 1.573 57.978 56.400 0.009 0.000 0.799 334 E CB 0.003 29.705 29.700 0.003 0.000 0.748 334 E HN 0.350 nan 8.360 nan 0.000 0.449 335 E N 0.492 120.703 120.200 0.018 0.000 2.118 335 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 335 E C 2.030 178.643 176.600 0.022 0.000 0.992 335 E CA 0.907 57.318 56.400 0.019 0.000 0.804 335 E CB -0.397 29.315 29.700 0.020 0.000 0.741 335 E HN 0.348 nan 8.360 nan 0.000 0.458 336 L N -0.382 120.857 121.223 0.027 0.000 2.610 336 L HA 0.142 4.482 4.340 -0.000 0.000 0.232 336 L C 0.830 177.724 176.870 0.039 0.000 1.149 336 L CA 0.479 55.339 54.840 0.033 0.000 0.872 336 L CB -0.331 41.752 42.059 0.041 0.000 0.992 336 L HN 0.183 nan 8.230 nan 0.000 0.447 337 K N -0.599 119.823 120.400 0.037 0.000 3.129 337 K HA -0.191 4.129 4.320 -0.000 0.000 0.273 337 K C 0.074 176.709 176.600 0.058 0.000 1.123 337 K CA 0.568 56.880 56.287 0.041 0.000 0.800 337 K CB -1.519 31.004 32.500 0.039 0.000 1.238 337 K HN 0.281 nan 8.250 nan 0.000 0.492 338 M N 0.574 120.216 119.600 0.069 0.000 3.596 338 M HA 0.034 4.514 4.480 -0.000 0.000 0.219 338 M C 1.704 178.059 176.300 0.092 0.000 1.471 338 M CA 0.504 55.870 55.300 0.110 0.000 1.644 338 M CB 0.134 32.845 32.600 0.185 0.000 1.083 338 M HN 0.426 nan 8.290 nan 0.000 0.579 339 G N 0.491 109.333 108.800 0.069 0.000 2.422 339 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.218 339 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.218 339 G C 1.495 176.421 174.900 0.043 0.000 1.140 339 G CA 0.980 46.108 45.100 0.046 0.000 0.775 339 G HN 0.655 nan 8.290 nan 0.000 0.545 340 A N 0.251 123.113 122.820 0.069 0.000 1.855 340 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 340 A C 2.213 179.826 177.584 0.048 0.000 1.191 340 A CA 1.664 53.733 52.037 0.053 0.000 0.613 340 A CB -0.807 18.216 19.000 0.037 0.000 0.829 340 A HN 0.392 nan 8.150 nan 0.000 0.442 341 Y N 0.808 121.076 120.300 -0.052 0.000 2.097 341 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 341 Y C 1.929 177.789 175.900 -0.068 0.000 1.152 341 Y CA 1.767 59.839 58.100 -0.048 0.000 1.136 341 Y CB -0.753 37.719 38.460 0.021 0.000 0.975 341 Y HN 0.201 nan 8.280 nan 0.000 0.498 342 L N -0.770 120.325 121.223 -0.213 0.000 2.131 342 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 342 L C 2.543 179.278 176.870 -0.226 0.000 1.092 342 L CA 1.419 56.072 54.840 -0.312 0.000 0.759 342 L CB -0.682 41.265 42.059 -0.188 0.000 0.903 342 L HN 0.129 nan 8.230 nan 0.000 0.435 343 S N -0.587 114.997 115.700 -0.193 0.000 2.368 343 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 343 S C 2.049 176.304 174.600 -0.576 0.000 1.030 343 S CA 1.232 59.271 58.200 -0.269 0.000 0.999 343 S CB -0.176 62.906 63.200 -0.198 0.000 0.844 343 S HN 0.178 nan 8.310 nan 0.000 0.459 344 V N 1.349 120.893 119.914 -0.616 0.000 2.295 344 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 344 V C 2.430 178.347 176.094 -0.295 0.000 1.049 344 V CA 1.948 63.859 62.300 -0.648 0.000 1.024 344 V CB -1.267 30.372 31.823 -0.306 0.000 0.648 344 V HN 0.592 nan 8.190 nan 0.000 0.447 345 G N -1.113 107.563 108.800 -0.206 0.000 2.848 345 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.208 345 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.208 345 G C 1.467 176.324 174.900 -0.071 0.000 1.152 345 G CA 0.021 45.056 45.100 -0.108 0.000 0.789 345 G HN 0.453 nan 8.290 nan 0.000 0.531 346 K N 0.077 120.429 120.400 -0.080 0.000 2.097 346 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 346 K C 2.367 178.981 176.600 0.023 0.000 1.049 346 K CA 1.044 57.317 56.287 -0.023 0.000 0.933 346 K CB -0.059 32.446 32.500 0.008 0.000 0.717 346 K HN 0.251 nan 8.250 nan 0.000 0.442 347 G N 0.153 108.987 108.800 0.057 0.000 3.181 347 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.219 347 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.219 347 G C -0.000 174.923 174.900 0.039 0.000 1.182 347 G CA -0.211 44.931 45.100 0.070 0.000 0.791 347 G HN 0.113 nan 8.290 nan 0.000 0.537 348 S N 0.024 115.741 115.700 0.029 0.000 2.565 348 S HA 0.400 4.870 4.470 -0.000 0.000 0.290 348 S C 1.631 176.197 174.600 -0.056 0.000 1.150 348 S CA -0.686 57.531 58.200 0.029 0.000 1.058 348 S CB 0.974 64.239 63.200 0.108 0.000 1.032 348 S HN 0.284 nan 8.310 nan 0.000 0.510 349 M N 2.706 122.194 119.600 -0.187 0.000 2.562 349 M HA 0.197 4.677 4.480 -0.000 0.000 0.257 349 M C -0.880 175.156 176.300 -0.439 0.000 1.099 349 M CA 0.606 55.699 55.300 -0.345 0.000 1.099 349 M CB -0.416 31.903 32.600 -0.469 0.000 1.427 349 M HN 0.532 nan 8.290 nan 0.000 0.489 350 Y N 2.056 122.357 120.300 0.003 0.000 2.327 350 Y HA 0.513 5.063 4.550 -0.000 0.000 0.336 350 Y C -2.252 173.648 175.900 0.000 0.000 1.035 350 Y CA -2.744 55.360 58.100 0.007 0.000 1.165 350 Y CB 0.107 38.578 38.460 0.018 0.000 1.181 350 Y HN 0.003 nan 8.280 nan 0.000 0.494 351 P HA 0.010 nan 4.420 nan 0.000 0.268 351 P C -0.749 176.597 177.300 0.077 0.000 1.205 351 P CA -0.215 62.926 63.100 0.068 0.000 0.771 351 P CB 0.546 32.283 31.700 0.061 0.000 0.858 352 N N 2.664 121.363 118.700 -0.001 0.000 2.412 352 N HA 0.043 4.783 4.740 -0.000 0.000 0.254 352 N C -0.077 175.498 175.510 0.107 0.000 1.232 352 N CA 0.721 53.763 53.050 -0.013 0.000 0.880 352 N CB 0.030 38.316 38.487 -0.335 0.000 1.076 352 N HN 0.172 nan 8.380 nan 0.000 0.458 353 K N 1.983 122.510 120.400 0.212 0.000 2.507 353 K HA 0.309 4.629 4.320 -0.000 0.000 0.252 353 K C -1.244 175.542 176.600 0.309 0.000 0.943 353 K CA -0.529 55.896 56.287 0.230 0.000 0.808 353 K CB 1.495 34.087 32.500 0.153 0.000 1.142 353 K HN 0.411 nan 8.250 nan 0.000 0.426 354 F N 4.012 124.063 119.950 0.168 0.000 2.404 354 F HA 0.463 4.990 4.527 -0.000 0.000 0.354 354 F C -0.106 175.723 175.800 0.048 0.000 1.122 354 F CA -0.973 57.065 58.000 0.063 0.000 1.080 354 F CB 0.585 39.583 39.000 -0.005 0.000 1.131 354 F HN 0.401 nan 8.300 nan 0.000 0.471 355 I N 6.070 126.604 120.570 -0.061 0.000 2.365 355 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 355 I C -0.597 175.656 176.117 0.228 0.000 1.004 355 I CA -0.287 61.073 61.300 0.101 0.000 1.311 355 I CB 0.983 38.996 38.000 0.022 0.000 1.401 355 I HN 0.612 nan 8.210 nan 0.000 0.491 356 H N 6.658 125.898 119.070 0.283 0.000 3.177 356 H HA 0.431 4.987 4.556 -0.000 0.000 0.314 356 H C -1.634 173.915 175.328 0.369 0.000 1.059 356 H CA -0.906 55.365 56.048 0.370 0.000 1.515 356 H CB 0.899 30.930 29.762 0.448 0.000 1.672 356 H HN 0.333 nan 8.280 nan 0.000 0.514 357 L N 3.573 125.183 121.223 0.646 0.000 2.334 357 L HA 0.512 4.852 4.340 -0.000 0.000 0.272 357 L C 0.102 177.356 176.870 0.639 0.000 1.020 357 L CA -0.469 54.674 54.840 0.504 0.000 0.812 357 L CB 1.949 44.221 42.059 0.355 0.000 1.264 357 L HN 0.653 nan 8.230 nan 0.000 0.439 358 T N 1.228 116.039 114.554 0.429 0.000 2.921 358 T HA 0.388 4.738 4.350 -0.000 0.000 0.297 358 T C -1.425 173.470 174.700 0.324 0.000 1.013 358 T CA -0.383 61.918 62.100 0.335 0.000 0.990 358 T CB 1.257 70.198 68.868 0.122 0.000 1.023 358 T HN 0.321 nan 8.240 nan 0.000 0.447 359 Y N 2.659 123.119 120.300 0.266 0.000 2.341 359 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 359 Y C -0.299 175.629 175.900 0.046 0.000 1.014 359 Y CA -0.846 57.362 58.100 0.181 0.000 1.111 359 Y CB 1.050 39.687 38.460 0.294 0.000 1.194 359 Y HN 0.517 nan 8.280 nan 0.000 0.462 360 K N 4.373 124.272 120.400 -0.836 0.000 2.471 360 K HA 0.456 4.776 4.320 -0.000 0.000 0.252 360 K C -0.998 175.122 176.600 -0.800 0.000 0.938 360 K CA -0.569 55.352 56.287 -0.612 0.000 0.796 360 K CB 1.334 33.664 32.500 -0.282 0.000 1.161 360 K HN 0.797 nan 8.250 nan 0.000 0.425 361 S N 1.546 116.958 115.700 -0.480 0.000 2.573 361 S HA -0.033 4.437 4.470 -0.000 0.000 0.277 361 S C 1.208 175.720 174.600 -0.147 0.000 1.346 361 S CA -0.544 57.535 58.200 -0.201 0.000 1.034 361 S CB 1.337 64.545 63.200 0.013 0.000 0.879 361 S HN 0.551 nan 8.310 nan 0.000 0.528 362 K N 1.733 122.084 120.400 -0.081 0.000 2.097 362 K HA -0.006 4.314 4.320 -0.000 0.000 0.206 362 K C 1.574 178.151 176.600 -0.038 0.000 1.049 362 K CA 1.004 57.257 56.287 -0.056 0.000 0.933 362 K CB -0.888 31.595 32.500 -0.028 0.000 0.717 362 K HN 0.784 nan 8.250 nan 0.000 0.442 363 G N 0.399 109.186 108.800 -0.022 0.000 2.873 363 G HA2 0.281 4.241 3.960 -0.000 0.000 0.170 363 G HA3 0.281 4.241 3.960 -0.000 0.000 0.170 363 G C 0.047 174.936 174.900 -0.019 0.000 1.608 363 G CA 0.140 45.230 45.100 -0.016 0.000 1.084 363 G HN 0.531 nan 8.290 nan 0.000 0.563 364 D N -1.106 119.286 120.400 -0.013 0.000 2.424 364 D HA 0.422 5.062 4.640 -0.000 0.000 0.244 364 D C -0.117 176.175 176.300 -0.013 0.000 1.134 364 D CA -0.243 53.749 54.000 -0.014 0.000 0.881 364 D CB 1.080 41.873 40.800 -0.011 0.000 1.191 364 D HN 0.283 nan 8.370 nan 0.000 0.445 365 V N 3.106 123.010 119.914 -0.017 0.000 2.368 365 V HA 0.211 4.331 4.120 -0.000 0.000 0.266 365 V C 1.270 177.355 176.094 -0.015 0.000 1.045 365 V CA -0.256 62.035 62.300 -0.015 0.000 0.899 365 V CB 0.914 32.725 31.823 -0.019 0.000 1.006 365 V HN 0.731 nan 8.190 nan 0.000 0.470 366 K N 2.147 122.538 120.400 -0.014 0.000 2.284 366 K HA 0.105 4.425 4.320 -0.000 0.000 0.198 366 K C 0.551 177.129 176.600 -0.036 0.000 1.048 366 K CA 0.258 56.532 56.287 -0.021 0.000 0.987 366 K CB 0.518 33.008 32.500 -0.016 0.000 0.800 366 K HN 0.320 nan 8.250 nan 0.000 0.486 367 K N 1.309 121.688 120.400 -0.034 0.000 2.513 367 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 367 K C -1.878 174.703 176.600 -0.031 0.000 0.939 367 K CA -0.801 55.450 56.287 -0.059 0.000 0.793 367 K CB 1.871 34.344 32.500 -0.045 0.000 1.241 367 K HN -0.031 nan 8.250 nan 0.000 0.431 368 K N 2.814 123.189 120.400 -0.042 0.000 2.323 368 K HA 0.612 4.932 4.320 -0.000 0.000 0.259 368 K C -0.662 175.977 176.600 0.064 0.000 0.947 368 K CA -0.533 55.772 56.287 0.029 0.000 0.819 368 K CB 1.586 34.118 32.500 0.054 0.000 1.109 368 K HN 0.480 nan 8.250 nan 0.000 0.429 369 I N 1.935 122.580 120.570 0.126 0.000 2.582 369 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 369 I C -0.797 175.434 176.117 0.190 0.000 1.066 369 I CA -0.924 60.493 61.300 0.195 0.000 1.053 369 I CB 2.179 40.297 38.000 0.197 0.000 1.241 369 I HN 0.611 nan 8.210 nan 0.000 0.421 370 A N 7.457 130.402 122.820 0.208 0.000 2.303 370 A HA 0.828 5.148 4.320 -0.000 0.000 0.320 370 A C -0.913 176.754 177.584 0.138 0.000 1.192 370 A CA -0.457 51.682 52.037 0.169 0.000 0.821 370 A CB 0.726 19.820 19.000 0.157 0.000 1.188 370 A HN 0.670 nan 8.150 nan 0.000 0.492 371 L N 3.237 124.499 121.223 0.065 0.000 2.305 371 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 371 L C -0.887 176.047 176.870 0.106 0.000 1.013 371 L CA -0.821 54.069 54.840 0.083 0.000 0.819 371 L CB 1.676 43.768 42.059 0.055 0.000 1.227 371 L HN 0.411 nan 8.230 nan 0.000 0.417 372 V N 2.034 122.014 119.914 0.109 0.000 2.448 372 V HA 0.678 4.798 4.120 -0.000 0.000 0.295 372 V C 0.385 176.514 176.094 0.058 0.000 1.025 372 V CA -0.498 61.847 62.300 0.076 0.000 0.859 372 V CB 1.740 33.627 31.823 0.107 0.000 0.988 372 V HN 0.861 nan 8.190 nan 0.000 0.431 373 G N 2.789 111.591 108.800 0.003 0.000 2.461 373 G HA2 0.525 4.485 3.960 -0.000 0.000 0.323 373 G HA3 0.525 4.485 3.960 -0.000 0.000 0.323 373 G C -0.693 174.177 174.900 -0.050 0.000 1.229 373 G CA -0.774 44.327 45.100 0.001 0.000 0.941 373 G HN 0.704 nan 8.290 nan 0.000 0.477 374 K N 1.082 121.464 120.400 -0.030 0.000 2.416 374 K HA 0.353 4.673 4.320 -0.000 0.000 0.283 374 K C 0.649 177.200 176.600 -0.083 0.000 1.037 374 K CA 0.066 56.318 56.287 -0.059 0.000 0.995 374 K CB 0.423 32.900 32.500 -0.037 0.000 0.938 374 K HN 0.454 nan 8.250 nan 0.000 0.475 375 G N 6.241 114.984 108.800 -0.095 0.000 5.001 375 G HA2 0.257 4.217 3.960 -0.000 0.000 0.304 375 G HA3 0.257 4.217 3.960 -0.000 0.000 0.304 375 G C -0.490 174.386 174.900 -0.040 0.000 1.400 375 G CA -0.491 44.562 45.100 -0.077 0.000 1.029 375 G HN 0.490 nan 8.290 nan 0.000 0.584 376 I N 2.657 123.201 120.570 -0.043 0.000 2.301 376 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 376 I C 1.776 177.890 176.117 -0.005 0.000 1.046 376 I CA -0.162 61.129 61.300 -0.015 0.000 1.282 376 I CB 0.727 38.706 38.000 -0.035 0.000 1.409 376 I HN 0.305 nan 8.210 nan 0.000 0.484 377 T N 3.066 117.639 114.554 0.033 0.000 3.023 377 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 377 T C 0.230 175.026 174.700 0.161 0.000 1.093 377 T CA 0.564 62.694 62.100 0.051 0.000 1.129 377 T CB 0.062 68.930 68.868 0.001 0.000 0.899 377 T HN 0.304 nan 8.240 nan 0.000 0.491 378 F N 1.064 121.017 119.950 0.005 0.000 2.604 378 F HA 0.511 5.038 4.527 -0.000 0.000 0.316 378 F C -2.205 173.613 175.800 0.031 0.000 1.136 378 F CA -1.740 56.271 58.000 0.018 0.000 0.989 378 F CB 2.084 41.095 39.000 0.019 0.000 1.258 378 F HN -0.132 nan 8.300 nan 0.000 0.451 379 D N 2.713 122.626 120.400 -0.812 0.000 2.472 379 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 379 D C 0.639 176.511 176.300 -0.713 0.000 1.088 379 D CA 0.141 53.828 54.000 -0.521 0.000 0.882 379 D CB 1.276 41.914 40.800 -0.269 0.000 1.037 379 D HN 0.475 nan 8.370 nan 0.000 0.520 380 S N 2.005 117.468 115.700 -0.396 0.000 2.489 380 S HA 0.171 4.641 4.470 -0.000 0.000 0.228 380 S C 1.749 176.296 174.600 -0.088 0.000 0.995 380 S CA 0.647 58.765 58.200 -0.136 0.000 0.934 380 S CB 0.041 63.334 63.200 0.156 0.000 0.771 380 S HN 0.725 nan 8.310 nan 0.000 0.522 381 G N 0.612 109.364 108.800 -0.080 0.000 2.234 381 G HA2 0.115 4.075 3.960 -0.000 0.000 0.235 381 G HA3 0.115 4.075 3.960 -0.000 0.000 0.235 381 G C 1.234 176.139 174.900 0.008 0.000 0.997 381 G CA 0.339 45.422 45.100 -0.029 0.000 0.623 381 G HN 1.783 nan 8.290 nan 0.000 0.514 382 G N -0.579 108.227 108.800 0.009 0.000 2.552 382 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.265 382 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.265 382 G C 0.597 175.441 174.900 -0.092 0.000 1.234 382 G CA 0.731 45.831 45.100 -0.001 0.000 0.944 382 G HN 1.075 nan 8.290 nan 0.000 0.568 383 Y N 1.294 121.576 120.300 -0.031 0.000 2.256 383 Y HA -0.070 4.480 4.550 -0.000 0.000 0.288 383 Y C 2.355 178.225 175.900 -0.050 0.000 1.155 383 Y CA 1.973 60.045 58.100 -0.046 0.000 1.203 383 Y CB -0.279 38.136 38.460 -0.074 0.000 0.980 383 Y HN 0.410 nan 8.280 nan 0.000 0.530 384 N N 1.182 119.914 118.700 0.054 0.000 3.193 384 N HA 0.114 4.854 4.740 -0.000 0.000 0.312 384 N C -0.759 174.747 175.510 -0.006 0.000 1.261 384 N CA -0.204 52.852 53.050 0.011 0.000 1.208 384 N CB -0.237 38.240 38.487 -0.017 0.000 1.471 384 N HN 0.082 nan 8.380 nan 0.000 0.548 385 L N 0.771 121.987 121.223 -0.011 0.000 2.514 385 L HA -0.025 4.315 4.340 -0.000 0.000 0.280 385 L C 0.301 177.162 176.870 -0.015 0.000 1.223 385 L CA 0.295 55.121 54.840 -0.023 0.000 0.864 385 L CB 0.420 42.462 42.059 -0.028 0.000 1.118 385 L HN 0.268 nan 8.230 nan 0.000 0.494 386 K N 5.169 125.558 120.400 -0.019 0.000 2.081 386 K HA 0.181 4.501 4.320 -0.000 0.000 0.230 386 K C 0.475 177.071 176.600 -0.007 0.000 1.199 386 K CA 0.564 56.840 56.287 -0.018 0.000 1.130 386 K CB -0.092 32.386 32.500 -0.036 0.000 1.386 386 K HN 0.758 nan 8.250 nan 0.000 0.280 387 A N 1.406 124.222 122.820 -0.006 0.000 2.419 387 A HA 0.280 4.600 4.320 -0.000 0.000 0.233 387 A C 0.736 178.317 177.584 -0.005 0.000 1.217 387 A CA -0.165 51.870 52.037 -0.003 0.000 0.944 387 A CB 0.522 19.521 19.000 -0.001 0.000 1.025 387 A HN 0.541 nan 8.150 nan 0.000 0.524 388 A N 1.365 124.181 122.820 -0.007 0.000 2.425 388 A HA 0.561 4.881 4.320 -0.000 0.000 0.249 388 A C -2.470 175.110 177.584 -0.007 0.000 1.084 388 A CA -1.177 50.855 52.037 -0.008 0.000 0.781 388 A CB -0.483 18.511 19.000 -0.009 0.000 1.019 388 A HN 0.184 nan 8.150 nan 0.000 0.490 389 P HA 0.189 nan 4.420 nan 0.000 0.261 389 P C 0.995 178.291 177.300 -0.006 0.000 1.173 389 P CA 1.962 65.057 63.100 -0.007 0.000 0.760 389 P CB 0.405 32.101 31.700 -0.007 0.000 0.783 390 G N 2.651 111.443 108.800 -0.012 0.000 2.148 390 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.254 390 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.254 390 G C 0.989 175.882 174.900 -0.011 0.000 0.981 390 G CA 0.543 45.633 45.100 -0.016 0.000 0.670 390 G HN 0.616 nan 8.290 nan 0.000 0.528 391 S N -0.580 115.113 115.700 -0.011 0.000 2.562 391 S HA 0.329 4.799 4.470 -0.000 0.000 0.221 391 S C 1.492 176.077 174.600 -0.025 0.000 0.975 391 S CA 1.024 59.218 58.200 -0.009 0.000 0.918 391 S CB -0.309 62.885 63.200 -0.009 0.000 0.772 391 S HN 1.223 nan 8.310 nan 0.000 0.531 392 M N -0.011 119.565 119.600 -0.039 0.000 2.360 392 M HA -0.178 4.302 4.480 -0.000 0.000 0.202 392 M C 0.711 176.967 176.300 -0.073 0.000 0.390 392 M CA 0.303 55.563 55.300 -0.067 0.000 0.470 392 M CB -1.810 30.735 32.600 -0.090 0.000 1.637 392 M HN 0.516 nan 8.290 nan 0.000 0.885 393 I N 1.633 122.182 120.570 -0.034 0.000 2.335 393 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 393 I C 2.113 178.267 176.117 0.061 0.000 1.129 393 I CA 2.531 63.829 61.300 -0.004 0.000 1.402 393 I CB -0.010 38.021 38.000 0.052 0.000 1.069 393 I HN 0.589 nan 8.210 nan 0.000 0.424 394 D N 0.541 120.952 120.400 0.017 0.000 2.309 394 D HA -0.242 4.398 4.640 -0.000 0.000 0.212 394 D C 1.931 178.179 176.300 -0.087 0.000 0.968 394 D CA 1.085 55.088 54.000 0.004 0.000 0.882 394 D CB -0.538 40.241 40.800 -0.035 0.000 0.918 394 D HN 0.423 nan 8.370 nan 0.000 0.503 395 L N -0.584 120.520 121.223 -0.199 0.000 2.567 395 L HA 0.144 4.484 4.340 -0.000 0.000 0.225 395 L C 1.907 178.603 176.870 -0.290 0.000 1.119 395 L CA 0.009 54.572 54.840 -0.463 0.000 0.871 395 L CB -0.018 41.642 42.059 -0.665 0.000 1.036 395 L HN -0.132 nan 8.230 nan 0.000 0.459 396 M N -0.092 119.467 119.600 -0.068 0.000 2.686 396 M HA -0.109 4.371 4.480 -0.000 0.000 0.246 396 M C 1.937 178.290 176.300 0.089 0.000 1.096 396 M CA 0.854 56.126 55.300 -0.046 0.000 1.076 396 M CB -0.797 31.526 32.600 -0.462 0.000 1.504 396 M HN 0.291 nan 8.290 nan 0.000 0.524 397 K N 0.786 121.333 120.400 0.245 0.000 2.211 397 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 397 K C 1.556 178.272 176.600 0.192 0.000 1.047 397 K CA 1.452 57.876 56.287 0.228 0.000 0.935 397 K CB -1.077 31.501 32.500 0.131 0.000 0.728 397 K HN 0.483 nan 8.250 nan 0.000 0.452 398 F N 0.603 120.505 119.950 -0.080 0.000 2.816 398 F HA 0.162 4.689 4.527 -0.000 0.000 0.302 398 F C 0.765 176.554 175.800 -0.017 0.000 1.178 398 F CA -0.377 57.607 58.000 -0.028 0.000 1.421 398 F CB 0.040 39.014 39.000 -0.043 0.000 1.114 398 F HN -0.108 nan 8.300 nan 0.000 0.573 399 D N 1.770 122.090 120.400 -0.134 0.000 2.324 399 D HA -0.002 4.638 4.640 -0.000 0.000 0.235 399 D C 1.168 177.340 176.300 -0.213 0.000 1.095 399 D CA 0.536 54.343 54.000 -0.323 0.000 0.871 399 D CB 0.020 40.726 40.800 -0.157 0.000 0.906 399 D HN 0.482 nan 8.370 nan 0.000 0.522 400 M N -2.465 117.046 119.600 -0.147 0.000 2.484 400 M HA 0.405 4.885 4.480 -0.000 0.000 0.307 400 M C 1.377 177.616 176.300 -0.101 0.000 1.149 400 M CA -0.231 55.008 55.300 -0.102 0.000 0.972 400 M CB 0.240 32.808 32.600 -0.053 0.000 1.400 400 M HN -0.317 nan 8.290 nan 0.000 0.508 401 S N 1.486 117.092 115.700 -0.156 0.000 2.400 401 S HA -0.067 4.403 4.470 -0.000 0.000 0.232 401 S C 1.966 176.536 174.600 -0.049 0.000 1.025 401 S CA 1.793 59.938 58.200 -0.091 0.000 0.993 401 S CB -0.738 62.379 63.200 -0.137 0.000 0.808 401 S HN 0.799 nan 8.310 nan 0.000 0.478 402 G N -0.033 108.728 108.800 -0.066 0.000 2.394 402 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.214 402 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.214 402 G C 1.725 176.625 174.900 -0.001 0.000 1.176 402 G CA 0.916 46.008 45.100 -0.014 0.000 0.786 402 G HN 0.599 nan 8.290 nan 0.000 0.533 403 C N 1.144 120.428 119.300 -0.027 0.000 2.413 403 C HA 0.126 4.586 4.460 -0.000 0.000 0.276 403 C C 3.431 178.425 174.990 0.007 0.000 1.236 403 C CA 1.735 60.743 59.018 -0.017 0.000 1.735 403 C CB -1.092 26.619 27.740 -0.048 0.000 2.031 403 C HN 0.541 nan 8.230 nan 0.000 0.474 404 A N 0.483 123.292 122.820 -0.019 0.000 1.917 404 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 404 A C 2.504 180.096 177.584 0.014 0.000 1.182 404 A CA 2.575 54.593 52.037 -0.030 0.000 0.633 404 A CB -1.230 17.726 19.000 -0.073 0.000 0.819 404 A HN 0.936 nan 8.150 nan 0.000 0.448 405 A N -0.800 122.034 122.820 0.023 0.000 1.902 405 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 405 A C 2.235 179.866 177.584 0.078 0.000 1.181 405 A CA 1.773 53.832 52.037 0.037 0.000 0.623 405 A CB -0.904 18.122 19.000 0.044 0.000 0.818 405 A HN 0.411 nan 8.150 nan 0.000 0.443 406 V N 0.064 120.042 119.914 0.107 0.000 2.427 406 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 406 V C 2.530 178.740 176.094 0.194 0.000 1.051 406 V CA 1.821 64.240 62.300 0.199 0.000 1.048 406 V CB -0.629 31.312 31.823 0.196 0.000 0.666 406 V HN 0.558 nan 8.190 nan 0.000 0.456 407 L N 0.092 121.390 121.223 0.125 0.000 2.109 407 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 407 L C 2.634 179.567 176.870 0.105 0.000 1.086 407 L CA 1.577 56.479 54.840 0.105 0.000 0.760 407 L CB -1.094 41.093 42.059 0.214 0.000 0.910 407 L HN 0.463 nan 8.230 nan 0.000 0.437 408 G N -0.900 107.993 108.800 0.155 0.000 2.422 408 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 408 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 408 G C 1.804 176.752 174.900 0.080 0.000 1.146 408 G CA 0.851 46.028 45.100 0.128 0.000 0.769 408 G HN 0.472 nan 8.290 nan 0.000 0.547 409 C N 0.867 120.210 119.300 0.073 0.000 2.440 409 C HA 0.292 4.752 4.460 -0.000 0.000 0.278 409 C C 3.402 178.425 174.990 0.055 0.000 1.295 409 C CA 1.401 60.481 59.018 0.103 0.000 1.738 409 C CB -1.034 26.840 27.740 0.223 0.000 1.987 409 C HN 0.525 nan 8.230 nan 0.000 0.492 410 A N -0.988 121.701 122.820 -0.218 0.000 1.933 410 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 410 A C 2.001 179.376 177.584 -0.348 0.000 1.175 410 A CA 1.788 53.328 52.037 -0.827 0.000 0.628 410 A CB -1.114 17.111 19.000 -1.292 0.000 0.814 410 A HN 0.821 nan 8.150 nan 0.000 0.444 411 Y N 0.381 120.525 120.300 -0.259 0.000 2.114 411 Y HA -0.299 4.251 4.550 -0.000 0.000 0.284 411 Y C 2.578 178.441 175.900 -0.063 0.000 1.143 411 Y CA 1.738 59.740 58.100 -0.163 0.000 1.135 411 Y CB -0.900 37.459 38.460 -0.168 0.000 0.980 411 Y HN 0.374 nan 8.280 nan 0.000 0.499 412 C N -0.591 118.633 119.300 -0.127 0.000 2.413 412 C HA -0.195 4.265 4.460 -0.000 0.000 0.277 412 C C 2.807 177.691 174.990 -0.177 0.000 1.228 412 C CA 1.165 60.104 59.018 -0.131 0.000 1.731 412 C CB -1.422 26.358 27.740 0.067 0.000 2.042 412 C HN 0.526 nan 8.230 nan 0.000 0.468 413 V N 1.422 121.251 119.914 -0.142 0.000 2.295 413 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 413 V C 2.660 178.485 176.094 -0.450 0.000 1.049 413 V CA 2.469 64.625 62.300 -0.240 0.000 1.024 413 V CB -1.496 30.289 31.823 -0.063 0.000 0.648 413 V HN 0.685 nan 8.190 nan 0.000 0.447 414 G N -1.141 107.453 108.800 -0.344 0.000 2.471 414 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 414 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 414 G C 1.636 176.408 174.900 -0.214 0.000 1.125 414 G CA 1.362 46.324 45.100 -0.231 0.000 0.775 414 G HN 0.492 nan 8.290 nan 0.000 0.548 415 T N 0.831 115.183 114.554 -0.336 0.000 2.939 415 T HA 0.113 4.463 4.350 -0.000 0.000 0.254 415 T C 2.272 176.870 174.700 -0.170 0.000 1.041 415 T CA 0.334 62.255 62.100 -0.298 0.000 1.142 415 T CB -0.044 68.509 68.868 -0.525 0.000 0.874 415 T HN 0.140 nan 8.240 nan 0.000 0.452 416 L N 0.300 121.424 121.223 -0.165 0.000 2.418 416 L HA 0.224 4.564 4.340 -0.000 0.000 0.218 416 L C 0.382 177.204 176.870 -0.080 0.000 1.125 416 L CA 0.209 54.995 54.840 -0.090 0.000 0.835 416 L CB -0.387 41.643 42.059 -0.048 0.000 0.953 416 L HN 0.173 nan 8.230 nan 0.000 0.454 417 K N 0.423 120.736 120.400 -0.145 0.000 4.007 417 K HA -0.149 4.171 4.320 -0.000 0.000 0.279 417 K C -2.216 174.418 176.600 0.056 0.000 0.919 417 K CA -0.286 55.984 56.287 -0.029 0.000 0.800 417 K CB -1.389 31.180 32.500 0.116 0.000 1.572 417 K HN 0.245 nan 8.250 nan 0.000 0.443 418 P HA 0.016 nan 4.420 nan 0.000 0.272 418 P C -0.120 177.286 177.300 0.176 0.000 1.230 418 P CA 0.094 63.228 63.100 0.057 0.000 0.788 418 P CB 0.705 32.407 31.700 0.004 0.000 0.949 419 E N 0.745 121.008 120.200 0.104 0.000 2.280 419 E HA 0.168 4.518 4.350 -0.000 0.000 0.261 419 E C 0.366 177.010 176.600 0.073 0.000 1.088 419 E CA -0.705 55.749 56.400 0.090 0.000 0.915 419 E CB 0.189 29.917 29.700 0.047 0.000 1.141 419 E HN 0.356 nan 8.360 nan 0.000 0.433 420 N N -1.829 116.899 118.700 0.046 0.000 2.909 420 N HA -0.165 4.575 4.740 -0.000 0.000 0.242 420 N C -0.630 174.895 175.510 0.026 0.000 0.975 420 N CA 1.265 54.330 53.050 0.024 0.000 0.921 420 N CB -1.805 36.689 38.487 0.012 0.000 1.112 420 N HN 0.334 nan 8.380 nan 0.000 0.581 421 V N -2.586 117.365 119.914 0.061 0.000 2.823 421 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 421 V C 0.024 176.153 176.094 0.059 0.000 1.072 421 V CA -0.940 61.401 62.300 0.067 0.000 0.937 421 V CB 2.939 34.821 31.823 0.098 0.000 1.013 421 V HN 0.146 nan 8.190 nan 0.000 0.430 422 E N 3.431 123.642 120.200 0.019 0.000 2.145 422 E HA 0.587 4.937 4.350 -0.000 0.000 0.270 422 E C -1.525 175.036 176.600 -0.066 0.000 0.906 422 E CA -0.805 55.572 56.400 -0.038 0.000 0.761 422 E CB 1.534 31.202 29.700 -0.054 0.000 1.116 422 E HN 0.712 nan 8.360 nan 0.000 0.408 423 I N 4.667 125.176 120.570 -0.102 0.000 2.406 423 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 423 I C -0.252 175.581 176.117 -0.474 0.000 0.999 423 I CA -0.712 60.431 61.300 -0.261 0.000 1.124 423 I CB 1.101 38.910 38.000 -0.318 0.000 1.289 423 I HN 0.580 nan 8.210 nan 0.000 0.441 424 H N 6.173 125.135 119.070 -0.181 0.000 2.459 424 H HA 0.463 5.019 4.556 -0.000 0.000 0.332 424 H C -1.199 174.037 175.328 -0.154 0.000 1.094 424 H CA -0.300 55.761 56.048 0.023 0.000 1.224 424 H CB 1.700 31.541 29.762 0.133 0.000 1.449 424 H HN 0.313 nan 8.280 nan 0.000 0.484 425 F N 3.463 123.608 119.950 0.324 0.000 2.403 425 F HA 0.364 4.891 4.527 -0.000 0.000 0.355 425 F C -0.136 175.764 175.800 0.167 0.000 1.119 425 F CA -0.589 57.536 58.000 0.209 0.000 1.007 425 F CB 1.199 40.307 39.000 0.181 0.000 1.194 425 F HN 0.148 nan 8.300 nan 0.000 0.443 426 L N 2.659 123.999 121.223 0.195 0.000 2.386 426 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 426 L C -0.392 176.344 176.870 -0.222 0.000 0.993 426 L CA -0.706 54.118 54.840 -0.026 0.000 0.819 426 L CB 2.291 44.350 42.059 -0.000 0.000 1.294 426 L HN 0.536 nan 8.230 nan 0.000 0.414 427 S N 1.544 116.927 115.700 -0.528 0.000 2.614 427 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 427 S C -0.767 173.251 174.600 -0.970 0.000 1.161 427 S CA -0.429 57.436 58.200 -0.558 0.000 0.969 427 S CB 1.731 64.778 63.200 -0.254 0.000 1.059 427 S HN 0.679 nan 8.310 nan 0.000 0.482 428 A N 4.642 126.892 122.820 -0.949 0.000 2.666 428 A HA 0.581 4.901 4.320 -0.000 0.000 0.312 428 A C -0.158 177.170 177.584 -0.427 0.000 1.471 428 A CA -0.367 51.033 52.037 -1.062 0.000 1.134 428 A CB -0.321 17.834 19.000 -1.409 0.000 1.129 428 A HN 0.748 nan 8.150 nan 0.000 0.539 429 V N 2.496 122.367 119.914 -0.072 0.000 2.498 429 V HA 0.474 4.594 4.120 -0.000 0.000 0.279 429 V C 0.561 176.814 176.094 0.266 0.000 1.048 429 V CA -0.063 62.280 62.300 0.071 0.000 0.967 429 V CB 0.062 31.901 31.823 0.026 0.000 0.988 429 V HN 1.196 nan 8.190 nan 0.000 0.473 430 C N 2.375 121.788 119.300 0.188 0.000 3.284 430 C HA 0.776 5.236 4.460 -0.000 0.000 0.348 430 C C -0.887 174.167 174.990 0.107 0.000 1.448 430 C CA -0.923 58.189 59.018 0.157 0.000 1.223 430 C CB 1.596 29.434 27.740 0.163 0.000 1.588 430 C HN 0.874 nan 8.230 nan 0.000 0.451 431 E N 0.638 120.907 120.200 0.115 0.000 2.238 431 E HA 0.471 4.821 4.350 -0.000 0.000 0.267 431 E C -1.456 175.213 176.600 0.116 0.000 0.887 431 E CA -0.331 56.152 56.400 0.139 0.000 0.769 431 E CB 1.552 31.384 29.700 0.220 0.000 1.187 431 E HN 0.651 nan 8.360 nan 0.000 0.416 432 N N 4.721 123.488 118.700 0.111 0.000 2.609 432 N HA 0.227 4.967 4.740 -0.000 0.000 0.234 432 N C -1.155 174.428 175.510 0.122 0.000 1.001 432 N CA -0.144 52.963 53.050 0.096 0.000 0.926 432 N CB 0.361 38.884 38.487 0.060 0.000 1.130 432 N HN 0.418 nan 8.380 nan 0.000 0.510 433 M N 1.114 120.786 119.600 0.121 0.000 2.796 433 M HA 0.491 4.971 4.480 -0.000 0.000 0.303 433 M C -0.564 175.745 176.300 0.014 0.000 1.240 433 M CA -1.069 54.289 55.300 0.097 0.000 0.831 433 M CB 1.558 34.218 32.600 0.101 0.000 1.750 433 M HN -0.091 nan 8.290 nan 0.000 0.484 434 V N 0.722 120.597 119.914 -0.064 0.000 2.370 434 V HA 0.682 4.802 4.120 -0.000 0.000 0.283 434 V C -0.106 175.903 176.094 -0.142 0.000 1.023 434 V CA -0.167 61.984 62.300 -0.247 0.000 0.857 434 V CB 1.329 32.936 31.823 -0.359 0.000 0.985 434 V HN 0.970 nan 8.190 nan 0.000 0.443 435 S N 3.373 119.029 115.700 -0.073 0.000 2.611 435 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 435 S C 0.621 175.316 174.600 0.159 0.000 1.156 435 S CA -0.174 58.050 58.200 0.040 0.000 0.817 435 S CB 1.749 64.973 63.200 0.040 0.000 1.122 435 S HN 0.825 nan 8.310 nan 0.000 0.466 436 K N 1.295 121.764 120.400 0.116 0.000 2.283 436 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 436 K C 0.922 177.590 176.600 0.113 0.000 1.048 436 K CA 1.947 58.307 56.287 0.121 0.000 0.948 436 K CB -0.572 31.967 32.500 0.065 0.000 0.742 436 K HN 0.531 nan 8.250 nan 0.000 0.458 437 N N 0.575 119.336 118.700 0.101 0.000 2.412 437 N HA 0.025 4.765 4.740 -0.000 0.000 0.184 437 N C -0.500 175.090 175.510 0.133 0.000 1.101 437 N CA -0.181 52.921 53.050 0.087 0.000 0.881 437 N CB 0.413 38.929 38.487 0.048 0.000 0.969 437 N HN 0.048 nan 8.380 nan 0.000 0.459 438 S N 1.120 116.949 115.700 0.215 0.000 2.566 438 S HA -0.053 4.417 4.470 -0.000 0.000 0.280 438 S C -0.089 174.708 174.600 0.329 0.000 1.343 438 S CA -0.469 57.912 58.200 0.303 0.000 1.036 438 S CB 0.070 63.511 63.200 0.401 0.000 0.866 438 S HN 0.299 nan 8.310 nan 0.000 0.526 439 Y N 1.499 121.861 120.300 0.103 0.000 2.550 439 Y HA 0.483 5.033 4.550 0.000 0.000 0.343 439 Y C 0.150 176.107 175.900 0.094 0.000 1.245 439 Y CA -0.925 57.217 58.100 0.070 0.000 1.462 439 Y CB 0.199 38.687 38.460 0.047 0.000 1.340 439 Y HN 0.476 nan 8.280 nan 0.000 0.604 440 R N 2.676 123.113 120.500 -0.105 0.000 2.832 440 R HA 0.497 4.837 4.340 -0.000 0.000 0.271 440 R C -2.683 173.441 176.300 -0.294 0.000 0.996 440 R CA -2.245 53.707 56.100 -0.247 0.000 0.977 440 R CB 0.997 31.151 30.300 -0.244 0.000 1.168 440 R HN 0.460 nan 8.270 nan 0.000 0.482 441 P HA 0.004 nan 4.420 nan 0.000 0.264 441 P C 0.511 177.735 177.300 -0.128 0.000 1.193 441 P CA 0.901 63.892 63.100 -0.182 0.000 0.763 441 P CB 0.682 32.306 31.700 -0.126 0.000 0.810 442 G N 2.368 111.115 108.800 -0.088 0.000 2.258 442 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.233 442 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.233 442 G C -0.010 174.869 174.900 -0.035 0.000 1.006 442 G CA -0.260 44.807 45.100 -0.055 0.000 0.620 442 G HN 0.502 nan 8.290 nan 0.000 0.511 443 D N 0.723 121.101 120.400 -0.036 0.000 2.506 443 D HA 0.379 5.019 4.640 -0.000 0.000 0.234 443 D C 0.795 177.126 176.300 0.052 0.000 1.143 443 D CA 0.553 54.561 54.000 0.013 0.000 0.871 443 D CB 0.602 41.437 40.800 0.058 0.000 1.190 443 D HN 0.412 nan 8.370 nan 0.000 0.459 444 I N 3.178 123.781 120.570 0.056 0.000 2.362 444 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 444 I C 0.240 176.411 176.117 0.091 0.000 0.994 444 I CA -0.695 60.654 61.300 0.081 0.000 1.158 444 I CB 0.793 38.836 38.000 0.072 0.000 1.315 444 I HN 0.188 nan 8.210 nan 0.000 0.451 445 I N 1.795 122.434 120.570 0.116 0.000 2.846 445 I HA 0.647 4.817 4.170 -0.000 0.000 0.307 445 I C -0.717 175.469 176.117 0.116 0.000 1.053 445 I CA -0.510 60.856 61.300 0.110 0.000 1.050 445 I CB 2.384 40.458 38.000 0.123 0.000 1.239 445 I HN 0.274 nan 8.210 nan 0.000 0.439 446 T N 3.429 118.042 114.554 0.098 0.000 2.791 446 T HA 0.647 4.997 4.350 -0.000 0.000 0.288 446 T C 0.181 174.947 174.700 0.111 0.000 0.999 446 T CA -0.374 61.788 62.100 0.104 0.000 0.952 446 T CB 1.360 70.274 68.868 0.078 0.000 0.938 446 T HN 0.832 nan 8.240 nan 0.000 0.444 447 A N 2.265 125.176 122.820 0.152 0.000 2.327 447 A HA 0.465 4.785 4.320 -0.000 0.000 0.255 447 A C 1.614 179.276 177.584 0.130 0.000 1.099 447 A CA -0.257 51.873 52.037 0.154 0.000 0.801 447 A CB 0.038 19.200 19.000 0.269 0.000 1.062 447 A HN 0.922 nan 8.150 nan 0.000 0.496 448 S N 0.181 115.950 115.700 0.116 0.000 2.547 448 S HA -0.132 4.338 4.470 -0.000 0.000 0.235 448 S C 0.805 175.456 174.600 0.084 0.000 0.980 448 S CA 1.001 59.255 58.200 0.090 0.000 0.941 448 S CB -0.513 62.738 63.200 0.085 0.000 0.763 448 S HN 0.865 nan 8.310 nan 0.000 0.532 449 N N 0.725 119.493 118.700 0.113 0.000 2.235 449 N HA 0.274 5.014 4.740 -0.000 0.000 0.209 449 N C 1.127 176.662 175.510 0.042 0.000 1.122 449 N CA 0.397 53.486 53.050 0.065 0.000 0.845 449 N CB -0.215 38.305 38.487 0.054 0.000 1.004 449 N HN 0.479 nan 8.380 nan 0.000 0.499 450 G N 0.183 109.021 108.800 0.063 0.000 2.199 450 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 450 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 450 G C -0.253 174.678 174.900 0.052 0.000 0.982 450 G CA 0.080 45.208 45.100 0.047 0.000 0.632 450 G HN 0.445 nan 8.290 nan 0.000 0.529 451 K N 2.187 122.628 120.400 0.069 0.000 2.339 451 K HA 0.416 4.736 4.320 -0.000 0.000 0.286 451 K C 0.835 177.511 176.600 0.127 0.000 1.050 451 K CA 0.546 56.867 56.287 0.057 0.000 0.956 451 K CB 0.681 33.169 32.500 -0.021 0.000 0.990 451 K HN 0.409 nan 8.250 nan 0.000 0.475 452 T N 0.468 115.083 114.554 0.102 0.000 2.889 452 T HA 0.519 4.869 4.350 -0.000 0.000 0.291 452 T C 0.187 174.987 174.700 0.166 0.000 0.995 452 T CA -0.710 61.465 62.100 0.126 0.000 1.092 452 T CB 0.456 69.382 68.868 0.098 0.000 0.954 452 T HN 0.356 nan 8.240 nan 0.000 0.506 453 I N 1.745 122.432 120.570 0.194 0.000 2.499 453 I HA 0.329 4.499 4.170 -0.000 0.000 0.288 453 I C 0.026 176.253 176.117 0.183 0.000 1.048 453 I CA -0.774 60.674 61.300 0.246 0.000 1.062 453 I CB 2.226 40.430 38.000 0.340 0.000 1.238 453 I HN 0.752 nan 8.210 nan 0.000 0.426 454 E N 5.853 126.152 120.200 0.165 0.000 2.194 454 E HA 0.342 4.692 4.350 -0.000 0.000 0.284 454 E C -1.144 175.510 176.600 0.090 0.000 1.035 454 E CA -0.592 55.880 56.400 0.119 0.000 0.836 454 E CB 1.216 30.986 29.700 0.117 0.000 1.070 454 E HN 0.360 nan 8.360 nan 0.000 0.401 455 V N 4.879 124.832 119.914 0.064 0.000 2.455 455 V HA 0.194 4.314 4.120 -0.000 0.000 0.273 455 V C 1.113 177.191 176.094 -0.027 0.000 1.045 455 V CA 0.553 62.865 62.300 0.020 0.000 0.976 455 V CB 1.240 33.067 31.823 0.007 0.000 0.993 455 V HN 0.940 nan 8.190 nan 0.000 0.475 456 G N 3.779 112.557 108.800 -0.036 0.000 2.833 456 G HA2 0.072 4.032 3.960 -0.000 0.000 0.210 456 G HA3 0.072 4.032 3.960 -0.000 0.000 0.210 456 G C 0.460 175.323 174.900 -0.062 0.000 1.139 456 G CA 0.065 45.142 45.100 -0.038 0.000 0.771 456 G HN 0.594 nan 8.290 nan 0.000 0.535 457 N N -0.039 118.612 118.700 -0.082 0.000 2.537 457 N HA 0.040 4.780 4.740 -0.000 0.000 0.281 457 N C 1.025 176.472 175.510 -0.106 0.000 1.097 457 N CA 0.326 53.325 53.050 -0.085 0.000 0.964 457 N CB 1.283 39.735 38.487 -0.058 0.000 1.588 457 N HN -0.033 nan 8.380 nan 0.000 0.511 458 T N -0.940 113.514 114.554 -0.166 0.000 3.051 458 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 458 T C 0.921 175.644 174.700 0.038 0.000 1.127 458 T CA 1.006 62.978 62.100 -0.214 0.000 1.107 458 T CB 0.055 68.708 68.868 -0.358 0.000 0.898 458 T HN 0.352 nan 8.240 nan 0.000 0.517 459 D N 1.489 121.889 120.400 0.001 0.000 2.340 459 D HA 0.258 4.898 4.640 -0.000 0.000 0.220 459 D C 1.051 177.353 176.300 0.002 0.000 1.039 459 D CA 0.049 54.055 54.000 0.009 0.000 0.866 459 D CB -0.279 40.513 40.800 -0.013 0.000 0.913 459 D HN 0.547 nan 8.370 nan 0.000 0.523 460 A N 1.038 123.855 122.820 -0.004 0.000 3.282 460 A HA 0.141 4.461 4.320 -0.000 0.000 0.287 460 A C 1.463 179.032 177.584 -0.024 0.000 1.366 460 A CA -0.370 51.643 52.037 -0.041 0.000 1.069 460 A CB -0.194 18.747 19.000 -0.098 0.000 1.109 460 A HN 0.161 nan 8.150 nan 0.000 0.638 461 E N 0.149 120.368 120.200 0.032 0.000 2.170 461 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 461 E C 1.563 178.158 176.600 -0.008 0.000 0.981 461 E CA 1.301 57.734 56.400 0.056 0.000 0.830 461 E CB -0.909 28.850 29.700 0.099 0.000 0.775 461 E HN 0.359 nan 8.360 nan 0.000 0.470 462 G N 2.765 111.552 108.800 -0.021 0.000 2.440 462 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 462 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 462 G C 1.891 176.770 174.900 -0.035 0.000 1.154 462 G CA 1.492 46.577 45.100 -0.026 0.000 0.767 462 G HN 0.479 nan 8.290 nan 0.000 0.552 463 R N 0.240 120.700 120.500 -0.067 0.000 2.148 463 R HA 0.148 4.488 4.340 -0.000 0.000 0.227 463 R C 2.268 178.547 176.300 -0.035 0.000 1.103 463 R CA 1.007 57.069 56.100 -0.063 0.000 0.983 463 R CB -0.578 29.614 30.300 -0.180 0.000 0.874 463 R HN 0.391 nan 8.270 nan 0.000 0.451 464 L N 1.703 122.877 121.223 -0.081 0.000 2.072 464 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 464 L C 2.841 179.693 176.870 -0.030 0.000 1.079 464 L CA 1.856 56.674 54.840 -0.037 0.000 0.752 464 L CB -0.808 41.238 42.059 -0.021 0.000 0.906 464 L HN 0.442 nan 8.230 nan 0.000 0.436 465 T N -1.862 112.683 114.554 -0.015 0.000 2.777 465 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 465 T C 1.891 176.522 174.700 -0.115 0.000 1.040 465 T CA 0.844 62.926 62.100 -0.029 0.000 1.141 465 T CB -0.535 68.315 68.868 -0.030 0.000 0.868 465 T HN 0.186 nan 8.240 nan 0.000 0.444 466 L N 1.102 122.276 121.223 -0.083 0.000 2.083 466 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 466 L C 3.366 180.174 176.870 -0.105 0.000 1.083 466 L CA 1.090 55.893 54.840 -0.063 0.000 0.752 466 L CB -0.840 41.219 42.059 -0.001 0.000 0.899 466 L HN 0.399 nan 8.230 nan 0.000 0.433 467 A N -0.035 122.651 122.820 -0.223 0.000 1.892 467 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 467 A C 1.995 179.386 177.584 -0.323 0.000 1.188 467 A CA 2.234 53.903 52.037 -0.614 0.000 0.631 467 A CB -0.567 17.639 19.000 -1.325 0.000 0.822 467 A HN 0.356 nan 8.150 nan 0.000 0.447 468 D N -0.521 119.781 120.400 -0.163 0.000 2.224 468 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 468 D C 2.163 178.512 176.300 0.083 0.000 0.965 468 D CA 1.187 55.186 54.000 -0.001 0.000 0.852 468 D CB -0.216 40.632 40.800 0.079 0.000 0.947 468 D HN 0.425 nan 8.370 nan 0.000 0.494 469 A N 0.448 123.306 122.820 0.064 0.000 1.968 469 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 469 A C 2.325 180.024 177.584 0.190 0.000 1.169 469 A CA 0.626 52.779 52.037 0.193 0.000 0.638 469 A CB -0.511 18.495 19.000 0.010 0.000 0.812 469 A HN 0.183 nan 8.150 nan 0.000 0.446 470 L N -0.858 120.419 121.223 0.091 0.000 2.109 470 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 470 L C 2.502 179.424 176.870 0.087 0.000 1.086 470 L CA 0.731 55.616 54.840 0.076 0.000 0.760 470 L CB -0.484 41.568 42.059 -0.012 0.000 0.910 470 L HN 0.223 nan 8.230 nan 0.000 0.437 471 V N -0.743 119.233 119.914 0.103 0.000 2.287 471 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 471 V C 2.249 178.391 176.094 0.079 0.000 1.053 471 V CA 1.999 64.356 62.300 0.095 0.000 1.027 471 V CB -0.576 31.319 31.823 0.120 0.000 0.646 471 V HN 0.400 nan 8.190 nan 0.000 0.447 472 Y N 1.102 121.392 120.300 -0.017 0.000 2.081 472 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 472 Y C 2.387 178.255 175.900 -0.052 0.000 1.163 472 Y CA 2.108 60.170 58.100 -0.063 0.000 1.135 472 Y CB -0.557 37.835 38.460 -0.113 0.000 0.970 472 Y HN 0.181 nan 8.280 nan 0.000 0.498 473 A N -0.024 122.906 122.820 0.183 0.000 1.883 473 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 473 A C 2.193 179.758 177.584 -0.030 0.000 1.186 473 A CA 1.978 54.061 52.037 0.076 0.000 0.624 473 A CB -1.031 18.056 19.000 0.145 0.000 0.822 473 A HN 0.651 nan 8.150 nan 0.000 0.444 474 E N -0.184 120.012 120.200 -0.005 0.000 2.160 474 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 474 E C 1.867 178.421 176.600 -0.076 0.000 0.991 474 E CA 1.362 57.746 56.400 -0.025 0.000 0.810 474 E CB -0.096 29.596 29.700 -0.013 0.000 0.742 474 E HN 0.617 nan 8.360 nan 0.000 0.466 475 K N -0.011 120.313 120.400 -0.127 0.000 2.280 475 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 475 K C 1.914 178.396 176.600 -0.197 0.000 1.047 475 K CA 0.702 56.889 56.287 -0.166 0.000 0.942 475 K CB 0.001 32.369 32.500 -0.220 0.000 0.739 475 K HN 0.236 nan 8.250 nan 0.000 0.457 476 L N 0.004 121.079 121.223 -0.246 0.000 2.456 476 L HA -0.005 4.335 4.340 -0.000 0.000 0.224 476 L C 0.934 177.723 176.870 -0.135 0.000 1.148 476 L CA 0.493 55.182 54.840 -0.252 0.000 0.825 476 L CB -0.512 41.292 42.059 -0.425 0.000 0.937 476 L HN 0.339 nan 8.230 nan 0.000 0.450 477 G N 1.200 109.944 108.800 -0.092 0.000 2.324 477 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.292 477 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.292 477 G C 0.091 174.976 174.900 -0.025 0.000 1.079 477 G CA 0.221 45.291 45.100 -0.049 0.000 1.026 477 G HN 0.252 nan 8.290 nan 0.000 0.506 478 V N -3.127 116.780 119.914 -0.012 0.000 2.997 478 V HA 0.694 4.814 4.120 -0.000 0.000 0.311 478 V C 1.118 177.197 176.094 -0.025 0.000 1.066 478 V CA 0.076 62.386 62.300 0.017 0.000 1.039 478 V CB 1.595 33.463 31.823 0.076 0.000 1.081 478 V HN 0.084 nan 8.190 nan 0.000 0.467 479 D N -0.334 120.003 120.400 -0.105 0.000 2.162 479 D HA 0.080 4.720 4.640 -0.000 0.000 0.203 479 D C -0.308 175.824 176.300 -0.280 0.000 0.967 479 D CA 1.885 55.704 54.000 -0.301 0.000 0.840 479 D CB 0.090 40.545 40.800 -0.575 0.000 0.972 479 D HN 0.654 nan 8.370 nan 0.000 0.482 480 Y N -0.553 119.827 120.300 0.133 0.000 2.492 480 Y HA 0.480 5.030 4.550 -0.000 0.000 0.346 480 Y C -0.208 175.804 175.900 0.186 0.000 0.997 480 Y CA -1.016 57.190 58.100 0.176 0.000 1.025 480 Y CB 1.703 40.322 38.460 0.265 0.000 1.263 480 Y HN -0.313 nan 8.280 nan 0.000 0.454 481 I N 3.363 124.162 120.570 0.382 0.000 2.418 481 I HA 0.526 4.696 4.170 -0.000 0.000 0.287 481 I C -1.089 175.197 176.117 0.282 0.000 1.008 481 I CA -0.945 60.553 61.300 0.330 0.000 1.104 481 I CB 1.552 39.766 38.000 0.357 0.000 1.264 481 I HN 0.226 nan 8.210 nan 0.000 0.438 482 V N 4.863 124.879 119.914 0.170 0.000 2.409 482 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 482 V C -0.546 175.613 176.094 0.107 0.000 1.020 482 V CA -0.608 61.703 62.300 0.018 0.000 0.848 482 V CB 1.719 33.430 31.823 -0.186 0.000 0.990 482 V HN 0.849 nan 8.190 nan 0.000 0.430 483 D N 4.100 124.601 120.400 0.169 0.000 2.217 483 D HA 0.696 5.336 4.640 -0.000 0.000 0.248 483 D C -0.566 175.823 176.300 0.149 0.000 1.008 483 D CA -0.583 53.548 54.000 0.217 0.000 0.914 483 D CB 2.467 43.487 40.800 0.366 0.000 1.182 483 D HN 0.519 nan 8.370 nan 0.000 0.451 484 I N 0.507 121.150 120.570 0.123 0.000 2.569 484 I HA 0.716 4.886 4.170 -0.000 0.000 0.290 484 I C -1.820 174.346 176.117 0.081 0.000 1.088 484 I CA -0.643 60.701 61.300 0.073 0.000 1.047 484 I CB 1.494 39.527 38.000 0.054 0.000 1.237 484 I HN 0.800 nan 8.210 nan 0.000 0.421 485 A N 3.310 126.171 122.820 0.069 0.000 2.566 485 A HA 0.554 4.874 4.320 -0.000 0.000 0.297 485 A C -0.508 177.078 177.584 0.004 0.000 1.059 485 A CA -0.439 51.632 52.037 0.057 0.000 0.691 485 A CB 1.342 20.442 19.000 0.167 0.000 1.282 485 A HN 0.681 nan 8.150 nan 0.000 0.401 486 T N 1.156 115.651 114.554 -0.098 0.000 4.104 486 T HA 0.322 4.672 4.350 -0.000 0.000 0.285 486 T C 0.690 175.364 174.700 -0.043 0.000 1.346 486 T CA -0.027 61.982 62.100 -0.151 0.000 1.158 486 T CB -0.274 68.283 68.868 -0.520 0.000 1.290 486 T HN 0.594 nan 8.240 nan 0.000 0.975 487 L N 2.521 123.776 121.223 0.054 0.000 2.253 487 L HA 0.324 4.664 4.340 -0.000 0.000 0.205 487 L C 1.014 177.931 176.870 0.078 0.000 1.078 487 L CA 1.079 55.968 54.840 0.081 0.000 0.805 487 L CB 0.208 42.373 42.059 0.176 0.000 0.963 487 L HN 0.796 nan 8.230 nan 0.000 0.459 488 T N -4.506 110.113 114.554 0.109 0.000 2.928 488 T HA 0.490 4.840 4.350 -0.000 0.000 0.296 488 T C 0.881 175.664 174.700 0.138 0.000 1.000 488 T CA -0.300 61.864 62.100 0.107 0.000 0.989 488 T CB 1.281 70.211 68.868 0.105 0.000 1.005 488 T HN 0.098 nan 8.240 nan 0.000 0.442 489 G N 1.451 110.332 108.800 0.135 0.000 2.470 489 G HA2 0.055 4.015 3.960 -0.000 0.000 0.220 489 G HA3 0.055 4.015 3.960 -0.000 0.000 0.220 489 G C 1.620 176.651 174.900 0.218 0.000 1.121 489 G CA 0.615 45.816 45.100 0.168 0.000 0.766 489 G HN 1.205 nan 8.290 nan 0.000 0.553 490 A N 0.813 123.750 122.820 0.195 0.000 2.032 490 A HA -0.116 4.204 4.320 -0.000 0.000 0.221 490 A C 2.371 180.102 177.584 0.245 0.000 1.165 490 A CA 1.873 54.048 52.037 0.230 0.000 0.645 490 A CB -0.328 18.753 19.000 0.135 0.000 0.807 490 A HN 0.317 nan 8.150 nan 0.000 0.453 491 M N -0.618 119.102 119.600 0.200 0.000 2.144 491 M HA -0.127 4.353 4.480 -0.000 0.000 0.260 491 M C 2.021 178.390 176.300 0.116 0.000 1.067 491 M CA 1.227 56.628 55.300 0.170 0.000 1.095 491 M CB -1.412 31.282 32.600 0.157 0.000 1.365 491 M HN 0.438 nan 8.290 nan 0.000 0.406 492 L N -1.819 119.458 121.223 0.090 0.000 2.191 492 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 492 L C 1.913 178.639 176.870 -0.239 0.000 1.103 492 L CA 1.164 55.950 54.840 -0.090 0.000 0.769 492 L CB -0.610 41.333 42.059 -0.193 0.000 0.908 492 L HN 0.236 nan 8.230 nan 0.000 0.438 493 Y N -1.644 118.662 120.300 0.010 0.000 2.497 493 Y HA -0.042 4.508 4.550 0.000 0.000 0.265 493 Y C 2.688 178.585 175.900 -0.006 0.000 1.111 493 Y CA 0.642 58.739 58.100 -0.005 0.000 1.288 493 Y CB 0.094 38.553 38.460 -0.002 0.000 1.082 493 Y HN 0.200 nan 8.280 nan 0.000 0.536 494 S N -0.862 114.918 115.700 0.133 0.000 2.438 494 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 494 S C 1.485 176.079 174.600 -0.011 0.000 1.045 494 S CA 0.449 58.695 58.200 0.077 0.000 0.940 494 S CB -0.502 62.772 63.200 0.123 0.000 0.863 494 S HN 0.326 nan 8.310 nan 0.000 0.539 495 L N 0.878 122.097 121.223 -0.007 0.000 2.575 495 L HA 0.414 4.754 4.340 -0.000 0.000 0.228 495 L C 1.570 178.392 176.870 -0.081 0.000 1.075 495 L CA 0.341 55.136 54.840 -0.074 0.000 0.867 495 L CB -0.229 41.837 42.059 0.011 0.000 1.097 495 L HN 0.732 nan 8.230 nan 0.000 0.485 496 G N 1.120 109.895 108.800 -0.042 0.000 2.512 496 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.240 496 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.240 496 G C 0.622 175.533 174.900 0.018 0.000 1.246 496 G CA 0.246 45.317 45.100 -0.049 0.000 0.919 496 G HN 0.209 nan 8.290 nan 0.000 0.577 497 T N -2.715 111.866 114.554 0.044 0.000 3.065 497 T HA 0.396 4.746 4.350 -0.000 0.000 0.252 497 T C 2.194 176.958 174.700 0.106 0.000 1.099 497 T CA 1.854 64.024 62.100 0.118 0.000 1.063 497 T CB 0.286 69.269 68.868 0.192 0.000 0.948 497 T HN 0.653 nan 8.240 nan 0.000 0.506 498 S N -0.210 115.562 115.700 0.120 0.000 2.427 498 S HA 0.291 4.761 4.470 -0.000 0.000 0.224 498 S C -0.060 174.764 174.600 0.374 0.000 1.047 498 S CA -0.106 58.236 58.200 0.238 0.000 0.953 498 S CB -0.110 63.256 63.200 0.276 0.000 0.824 498 S HN 0.635 nan 8.310 nan 0.000 0.502 499 Y N 0.868 121.171 120.300 0.006 0.000 2.352 499 Y HA 0.631 5.181 4.550 -0.000 0.000 0.339 499 Y C 0.284 176.166 175.900 -0.030 0.000 0.992 499 Y CA -1.369 56.756 58.100 0.042 0.000 1.100 499 Y CB 1.175 39.681 38.460 0.076 0.000 1.192 499 Y HN 0.133 nan 8.280 nan 0.000 0.458 500 A N 2.027 124.883 122.820 0.061 0.000 2.304 500 A HA 0.663 4.983 4.320 -0.000 0.000 0.271 500 A C 0.302 177.950 177.584 0.106 0.000 1.091 500 A CA -0.037 51.978 52.037 -0.037 0.000 0.812 500 A CB 0.212 19.147 19.000 -0.108 0.000 1.056 500 A HN 0.853 nan 8.150 nan 0.000 0.489 501 G N -0.933 107.912 108.800 0.076 0.000 2.388 501 G HA2 0.530 4.490 3.960 -0.000 0.000 0.330 501 G HA3 0.530 4.490 3.960 -0.000 0.000 0.330 501 G C -1.018 173.844 174.900 -0.063 0.000 1.142 501 G CA -0.278 44.836 45.100 0.023 0.000 0.908 501 G HN 1.204 nan 8.290 nan 0.000 0.473 502 V N 2.431 122.242 119.914 -0.172 0.000 2.555 502 V HA 0.864 4.984 4.120 -0.000 0.000 0.302 502 V C -1.287 174.675 176.094 -0.221 0.000 1.038 502 V CA -0.936 61.278 62.300 -0.143 0.000 0.887 502 V CB 1.270 33.006 31.823 -0.145 0.000 0.991 502 V HN 0.561 nan 8.190 nan 0.000 0.434 503 F N 3.971 123.920 119.950 -0.003 0.000 2.577 503 F HA 0.963 5.490 4.527 -0.000 0.000 0.318 503 F C 0.632 176.308 175.800 -0.207 0.000 1.065 503 F CA -0.016 58.029 58.000 0.075 0.000 0.929 503 F CB 2.598 41.692 39.000 0.157 0.000 1.237 503 F HN 0.802 nan 8.300 nan 0.000 0.468 504 G N 0.558 109.393 108.800 0.058 0.000 2.550 504 G HA2 0.265 4.225 3.960 -0.000 0.000 0.293 504 G HA3 0.265 4.225 3.960 -0.000 0.000 0.293 504 G C -1.172 173.788 174.900 0.100 0.000 1.402 504 G CA -0.895 44.063 45.100 -0.237 0.000 0.784 504 G HN 0.597 nan 8.290 nan 0.000 0.482 505 N N -0.443 118.383 118.700 0.211 0.000 2.230 505 N HA 0.088 4.828 4.740 -0.000 0.000 0.202 505 N C -0.049 175.565 175.510 0.172 0.000 1.119 505 N CA -0.278 52.947 53.050 0.292 0.000 0.851 505 N CB 0.600 39.338 38.487 0.419 0.000 0.990 505 N HN 0.421 nan 8.380 nan 0.000 0.497 506 N N 0.475 119.225 118.700 0.082 0.000 2.519 506 N HA 0.063 4.803 4.740 -0.000 0.000 0.291 506 N C -0.406 175.055 175.510 -0.082 0.000 1.107 506 N CA -0.106 52.967 53.050 0.038 0.000 0.904 506 N CB 1.903 40.440 38.487 0.084 0.000 1.500 506 N HN 0.013 nan 8.380 nan 0.000 0.510 507 E N 1.982 122.132 120.200 -0.082 0.000 2.077 507 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 507 E C 0.922 177.383 176.600 -0.232 0.000 0.989 507 E CA 1.495 57.769 56.400 -0.210 0.000 0.800 507 E CB 0.352 29.993 29.700 -0.100 0.000 0.746 507 E HN 0.632 nan 8.360 nan 0.000 0.452 508 E N 0.070 120.202 120.200 -0.113 0.000 2.058 508 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 508 E C 2.180 178.692 176.600 -0.147 0.000 0.997 508 E CA 0.980 57.327 56.400 -0.089 0.000 0.801 508 E CB -0.152 29.553 29.700 0.009 0.000 0.746 508 E HN 0.190 nan 8.360 nan 0.000 0.450 509 L N 1.257 122.386 121.223 -0.156 0.000 2.046 509 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 509 L C 2.133 178.797 176.870 -0.345 0.000 1.077 509 L CA 1.448 56.120 54.840 -0.280 0.000 0.747 509 L CB -0.365 41.555 42.059 -0.233 0.000 0.896 509 L HN 0.078 nan 8.230 nan 0.000 0.432 510 I N -0.018 120.312 120.570 -0.400 0.000 2.208 510 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 510 I C 2.150 177.975 176.117 -0.486 0.000 1.097 510 I CA 1.337 62.305 61.300 -0.553 0.000 1.363 510 I CB -0.543 36.900 38.000 -0.927 0.000 1.051 510 I HN 0.384 nan 8.210 nan 0.000 0.413 511 N N 0.913 119.365 118.700 -0.414 0.000 2.166 511 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 511 N C 1.740 177.134 175.510 -0.193 0.000 1.019 511 N CA 1.199 54.072 53.050 -0.294 0.000 0.856 511 N CB -0.222 38.129 38.487 -0.225 0.000 0.993 511 N HN 0.388 nan 8.380 nan 0.000 0.426 512 K N 0.520 120.826 120.400 -0.157 0.000 2.063 512 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 512 K C 1.865 178.440 176.600 -0.041 0.000 1.048 512 K CA 0.791 57.051 56.287 -0.045 0.000 0.928 512 K CB -0.018 32.506 32.500 0.040 0.000 0.713 512 K HN 0.123 nan 8.250 nan 0.000 0.442 513 I N 1.310 121.755 120.570 -0.208 0.000 2.252 513 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 513 I C 2.265 178.275 176.117 -0.179 0.000 1.102 513 I CA 1.411 62.550 61.300 -0.267 0.000 1.385 513 I CB -1.000 36.763 38.000 -0.394 0.000 1.064 513 I HN 0.179 nan 8.210 nan 0.000 0.414 514 L N 0.041 121.145 121.223 -0.199 0.000 2.046 514 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 514 L C 2.652 179.457 176.870 -0.108 0.000 1.077 514 L CA 1.165 55.907 54.840 -0.163 0.000 0.747 514 L CB -0.598 41.338 42.059 -0.204 0.000 0.896 514 L HN 0.248 nan 8.230 nan 0.000 0.432 515 Q N 0.212 119.959 119.800 -0.089 0.000 2.124 515 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 515 Q C 2.228 178.213 176.000 -0.025 0.000 0.977 515 Q CA 2.159 57.932 55.803 -0.049 0.000 0.850 515 Q CB -0.183 28.533 28.738 -0.037 0.000 0.901 515 Q HN 0.351 nan 8.270 nan 0.000 0.429 516 S N -0.456 115.239 115.700 -0.007 0.000 2.399 516 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 516 S C 1.921 176.503 174.600 -0.030 0.000 1.022 516 S CA 1.016 59.225 58.200 0.015 0.000 0.983 516 S CB -0.523 62.716 63.200 0.065 0.000 0.803 516 S HN 0.512 nan 8.310 nan 0.000 0.480 517 S N 1.428 117.090 115.700 -0.064 0.000 2.368 517 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 517 S C 1.902 176.453 174.600 -0.082 0.000 1.030 517 S CA 1.410 59.559 58.200 -0.085 0.000 0.999 517 S CB -0.252 62.896 63.200 -0.088 0.000 0.844 517 S HN 0.512 nan 8.310 nan 0.000 0.459 518 K N 0.030 120.391 120.400 -0.064 0.000 2.002 518 K HA -0.118 4.202 4.320 -0.000 0.000 0.209 518 K C 2.219 178.794 176.600 -0.043 0.000 1.048 518 K CA 1.944 58.197 56.287 -0.056 0.000 0.930 518 K CB -0.583 31.893 32.500 -0.040 0.000 0.714 518 K HN 0.636 nan 8.250 nan 0.000 0.438 519 T N -1.894 112.651 114.554 -0.014 0.000 3.023 519 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 519 T C 1.862 176.595 174.700 0.055 0.000 1.093 519 T CA 1.154 63.266 62.100 0.021 0.000 1.129 519 T CB -0.080 68.810 68.868 0.037 0.000 0.899 519 T HN 0.276 nan 8.240 nan 0.000 0.491 520 S N 1.149 116.868 115.700 0.031 0.000 2.503 520 S HA 0.123 4.593 4.470 -0.000 0.000 0.217 520 S C 0.961 175.573 174.600 0.019 0.000 0.999 520 S CA -0.023 58.213 58.200 0.061 0.000 0.914 520 S CB -0.548 62.640 63.200 -0.021 0.000 0.782 520 S HN 0.486 nan 8.310 nan 0.000 0.520 521 N N 1.756 120.399 118.700 -0.095 0.000 2.747 521 N HA -0.124 4.616 4.740 -0.000 0.000 0.249 521 N C -1.259 174.143 175.510 -0.179 0.000 1.107 521 N CA 0.912 53.812 53.050 -0.251 0.000 0.707 521 N CB -1.331 36.773 38.487 -0.637 0.000 1.054 521 N HN 0.730 nan 8.380 nan 0.000 0.555 522 E N 0.940 121.053 120.200 -0.144 0.000 2.073 522 E HA 0.247 4.597 4.350 -0.000 0.000 0.269 522 E C -2.338 174.217 176.600 -0.074 0.000 0.917 522 E CA -1.588 54.703 56.400 -0.181 0.000 0.757 522 E CB 1.246 30.625 29.700 -0.535 0.000 1.111 522 E HN 0.109 nan 8.360 nan 0.000 0.410 523 P HA 0.069 nan 4.420 nan 0.000 0.271 523 P C -0.487 176.759 177.300 -0.089 0.000 1.220 523 P CA -0.061 62.875 63.100 -0.274 0.000 0.768 523 P CB 1.027 32.288 31.700 -0.733 0.000 0.848 524 V N 3.952 123.807 119.914 -0.098 0.000 3.007 524 V HA 0.519 4.639 4.120 -0.000 0.000 0.311 524 V C -1.011 175.206 176.094 0.206 0.000 1.120 524 V CA -0.579 61.773 62.300 0.086 0.000 0.980 524 V CB 3.165 35.017 31.823 0.048 0.000 1.033 524 V HN 0.654 nan 8.190 nan 0.000 0.429 525 W N 3.239 124.581 121.300 0.070 0.000 2.957 525 W HA 0.390 5.050 4.660 -0.000 0.000 0.336 525 W C -1.676 174.883 176.519 0.068 0.000 1.087 525 W CA -0.834 56.584 57.345 0.121 0.000 1.235 525 W CB 2.021 31.608 29.460 0.212 0.000 1.399 525 W HN 0.754 nan 8.180 nan 0.000 0.480 526 W N 7.776 128.775 121.300 -0.501 0.000 2.356 526 W HA 0.482 5.142 4.660 0.000 0.000 0.311 526 W C -1.314 175.038 176.519 -0.279 0.000 1.328 526 W CA -0.538 56.569 57.345 -0.397 0.000 1.251 526 W CB 0.138 29.350 29.460 -0.413 0.000 1.280 526 W HN 0.200 nan 8.180 nan 0.000 0.524 527 L N 9.201 130.250 121.223 -0.289 0.000 2.333 527 L HA 0.538 4.878 4.340 -0.000 0.000 0.269 527 L C -1.755 174.879 176.870 -0.393 0.000 1.010 527 L CA -2.265 52.299 54.840 -0.460 0.000 0.818 527 L CB 2.327 43.965 42.059 -0.702 0.000 1.306 527 L HN 0.281 nan 8.230 nan 0.000 0.430 528 P HA 0.281 nan 4.420 nan 0.000 0.286 528 P C -0.872 176.606 177.300 0.297 0.000 1.261 528 P CA -0.319 62.764 63.100 -0.029 0.000 0.821 528 P CB 1.287 32.919 31.700 -0.113 0.000 1.013 529 I N 3.818 124.570 120.570 0.303 0.000 2.291 529 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 529 I C 0.635 176.828 176.117 0.127 0.000 1.064 529 I CA -0.467 61.008 61.300 0.291 0.000 1.269 529 I CB 0.168 38.364 38.000 0.327 0.000 1.418 529 I HN 0.120 nan 8.210 nan 0.000 0.485 530 I N 6.808 127.405 120.570 0.044 0.000 2.281 530 I HA 0.108 4.278 4.170 -0.000 0.000 0.293 530 I C 1.167 177.152 176.117 -0.220 0.000 1.085 530 I CA -0.223 60.961 61.300 -0.193 0.000 1.257 530 I CB 0.453 38.158 38.000 -0.492 0.000 1.430 530 I HN 0.557 nan 8.210 nan 0.000 0.489 531 N N 4.149 122.781 118.700 -0.114 0.000 2.381 531 N HA -0.186 4.554 4.740 -0.000 0.000 0.182 531 N C 1.615 177.079 175.510 -0.076 0.000 1.025 531 N CA 0.833 53.852 53.050 -0.051 0.000 0.888 531 N CB 0.074 38.554 38.487 -0.011 0.000 0.965 531 N HN 0.594 nan 8.380 nan 0.000 0.438 532 E N 0.198 120.294 120.200 -0.175 0.000 2.171 532 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 532 E C 0.967 177.585 176.600 0.031 0.000 0.997 532 E CA 1.173 57.503 56.400 -0.117 0.000 0.810 532 E CB -0.102 29.492 29.700 -0.178 0.000 0.738 532 E HN 0.588 nan 8.360 nan 0.000 0.467 533 Y N -1.175 119.153 120.300 0.048 0.000 2.561 533 Y HA -0.005 4.545 4.550 -0.000 0.000 0.291 533 Y C 2.271 178.201 175.900 0.049 0.000 1.141 533 Y CA -0.063 58.066 58.100 0.048 0.000 1.303 533 Y CB 0.108 38.602 38.460 0.056 0.000 1.015 533 Y HN -0.023 nan 8.280 nan 0.000 0.547 534 R N 1.907 122.508 120.500 0.168 0.000 2.105 534 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 534 R C 2.169 178.526 176.300 0.095 0.000 1.135 534 R CA 1.516 57.686 56.100 0.117 0.000 0.967 534 R CB -0.821 29.520 30.300 0.067 0.000 0.861 534 R HN 0.257 nan 8.270 nan 0.000 0.442 535 A N -0.541 122.331 122.820 0.087 0.000 2.024 535 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 535 A C 2.054 179.679 177.584 0.069 0.000 1.164 535 A CA 2.034 54.110 52.037 0.065 0.000 0.643 535 A CB -1.144 17.890 19.000 0.056 0.000 0.806 535 A HN 0.623 nan 8.150 nan 0.000 0.451 536 T N -2.363 112.246 114.554 0.091 0.000 3.160 536 T HA 0.187 4.537 4.350 -0.000 0.000 0.257 536 T C 1.132 175.877 174.700 0.075 0.000 1.147 536 T CA 0.794 62.937 62.100 0.071 0.000 1.064 536 T CB -0.419 68.484 68.868 0.059 0.000 0.949 536 T HN 0.325 nan 8.240 nan 0.000 0.526 537 L N 0.600 121.879 121.223 0.094 0.000 2.628 537 L HA 0.339 4.679 4.340 -0.000 0.000 0.229 537 L C 0.236 177.159 176.870 0.089 0.000 1.137 537 L CA -0.519 54.388 54.840 0.112 0.000 0.909 537 L CB -0.388 41.770 42.059 0.165 0.000 1.137 537 L HN 0.110 nan 8.230 nan 0.000 0.470 538 N N 0.805 119.541 118.700 0.059 0.000 2.497 538 N HA 0.067 4.807 4.740 -0.000 0.000 0.268 538 N C -0.107 175.426 175.510 0.038 0.000 1.171 538 N CA 0.255 53.328 53.050 0.038 0.000 0.948 538 N CB 1.396 39.894 38.487 0.019 0.000 1.069 538 N HN -0.065 nan 8.380 nan 0.000 0.460 539 S N 0.932 116.655 115.700 0.039 0.000 2.549 539 S HA 0.260 4.730 4.470 -0.000 0.000 0.297 539 S C 1.119 175.712 174.600 -0.012 0.000 1.115 539 S CA -0.643 57.584 58.200 0.046 0.000 1.059 539 S CB 1.281 64.534 63.200 0.088 0.000 1.046 539 S HN 0.515 nan 8.310 nan 0.000 0.506 540 K N 2.656 123.026 120.400 -0.050 0.000 2.155 540 K HA 0.083 4.403 4.320 -0.000 0.000 0.203 540 K C 0.566 176.906 176.600 -0.433 0.000 1.052 540 K CA 1.800 57.928 56.287 -0.265 0.000 0.948 540 K CB -0.271 32.021 32.500 -0.347 0.000 0.728 540 K HN 0.762 nan 8.250 nan 0.000 0.448 541 Y N -1.216 119.098 120.300 0.022 0.000 2.673 541 Y HA 0.465 5.015 4.550 -0.000 0.000 0.278 541 Y C 0.876 176.793 175.900 0.028 0.000 1.127 541 Y CA 0.033 58.146 58.100 0.022 0.000 1.261 541 Y CB -0.121 38.350 38.460 0.019 0.000 1.412 541 Y HN 0.001 nan 8.280 nan 0.000 0.496 542 A N 0.189 123.115 122.820 0.178 0.000 2.246 542 A HA 0.227 4.547 4.320 -0.000 0.000 0.291 542 A C 0.658 178.294 177.584 0.086 0.000 1.103 542 A CA -0.056 52.059 52.037 0.130 0.000 0.844 542 A CB 0.081 19.166 19.000 0.141 0.000 1.136 542 A HN 0.262 nan 8.150 nan 0.000 0.500 543 D N -0.731 119.715 120.400 0.075 0.000 2.178 543 D HA 0.030 4.670 4.640 -0.000 0.000 0.201 543 D C 0.310 176.637 176.300 0.045 0.000 0.980 543 D CA 1.628 55.652 54.000 0.040 0.000 0.842 543 D CB 0.091 40.902 40.800 0.019 0.000 0.948 543 D HN 0.415 nan 8.370 nan 0.000 0.472 544 I N -0.394 120.234 120.570 0.098 0.000 2.828 544 I HA 0.106 4.276 4.170 -0.000 0.000 0.295 544 I C -1.520 174.720 176.117 0.205 0.000 1.459 544 I CA -0.735 60.645 61.300 0.133 0.000 1.015 544 I CB 1.947 40.015 38.000 0.114 0.000 1.345 544 I HN -0.333 nan 8.210 nan 0.000 0.449 545 N N 4.876 123.694 118.700 0.197 0.000 2.524 545 N HA 0.182 4.922 4.740 -0.000 0.000 0.283 545 N C 0.310 175.967 175.510 0.245 0.000 1.142 545 N CA -0.250 52.906 53.050 0.177 0.000 0.984 545 N CB 1.765 40.320 38.487 0.112 0.000 1.155 545 N HN 0.650 nan 8.380 nan 0.000 0.467 546 Q N 1.490 121.351 119.800 0.102 0.000 2.084 546 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 546 Q C 0.302 176.177 176.000 -0.208 0.000 0.978 546 Q CA 1.232 56.909 55.803 -0.211 0.000 0.844 546 Q CB 0.169 28.800 28.738 -0.178 0.000 0.898 546 Q HN 0.750 nan 8.270 nan 0.000 0.426 547 I N -3.476 117.056 120.570 -0.063 0.000 3.108 547 I HA 0.479 4.649 4.170 -0.000 0.000 0.312 547 I C -0.395 175.726 176.117 0.007 0.000 1.095 547 I CA -1.218 60.057 61.300 -0.042 0.000 1.000 547 I CB 2.014 39.980 38.000 -0.056 0.000 1.229 547 I HN -0.249 nan 8.210 nan 0.000 0.454 548 S N 1.174 116.874 115.700 0.001 0.000 2.565 548 S HA 0.260 4.730 4.470 -0.000 0.000 0.274 548 S C 1.074 175.668 174.600 -0.010 0.000 1.309 548 S CA -0.063 58.140 58.200 0.004 0.000 1.043 548 S CB 0.921 64.109 63.200 -0.020 0.000 0.939 548 S HN 0.786 nan 8.310 nan 0.000 0.504 549 S N 3.766 119.465 115.700 -0.001 0.000 2.356 549 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 549 S C 1.783 176.368 174.600 -0.024 0.000 1.032 549 S CA 1.385 59.581 58.200 -0.007 0.000 1.005 549 S CB -0.594 62.608 63.200 0.003 0.000 0.867 549 S HN 0.918 nan 8.310 nan 0.000 0.449 550 S N -0.233 115.447 115.700 -0.032 0.000 2.524 550 S HA 0.315 4.785 4.470 -0.000 0.000 0.222 550 S C 0.305 174.850 174.600 -0.092 0.000 1.040 550 S CA -0.451 57.721 58.200 -0.048 0.000 0.915 550 S CB -0.128 63.054 63.200 -0.030 0.000 0.831 550 S HN 0.204 nan 8.310 nan 0.000 0.492 551 V N 3.011 122.847 119.914 -0.131 0.000 2.432 551 V HA 0.354 4.474 4.120 -0.000 0.000 0.275 551 V C 0.728 176.709 176.094 -0.188 0.000 1.043 551 V CA -0.322 61.830 62.300 -0.247 0.000 0.925 551 V CB 1.360 32.918 31.823 -0.441 0.000 0.985 551 V HN 0.343 nan 8.190 nan 0.000 0.466 552 K N 3.191 123.485 120.400 -0.177 0.000 2.400 552 K HA 0.232 4.552 4.320 -0.000 0.000 0.194 552 K C 1.121 177.660 176.600 -0.102 0.000 1.033 552 K CA 0.502 56.716 56.287 -0.121 0.000 1.021 552 K CB 0.341 32.778 32.500 -0.106 0.000 0.808 552 K HN 0.747 nan 8.250 nan 0.000 0.505 553 A N 1.870 124.607 122.820 -0.138 0.000 3.026 553 A HA 0.039 4.359 4.320 -0.000 0.000 0.272 553 A C 1.332 178.914 177.584 -0.004 0.000 1.782 553 A CA -0.080 51.932 52.037 -0.041 0.000 1.451 553 A CB -0.597 18.395 19.000 -0.013 0.000 1.081 553 A HN 0.293 nan 8.150 nan 0.000 0.611 554 S N 0.375 116.077 115.700 0.004 0.000 2.402 554 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 554 S C 1.775 176.394 174.600 0.031 0.000 1.021 554 S CA 1.586 59.791 58.200 0.008 0.000 0.974 554 S CB -0.376 62.825 63.200 0.001 0.000 0.800 554 S HN 0.579 nan 8.310 nan 0.000 0.484 555 S N 2.065 117.809 115.700 0.074 0.000 2.402 555 S HA 0.160 4.630 4.470 -0.000 0.000 0.229 555 S C 1.750 176.260 174.600 -0.151 0.000 1.021 555 S CA 1.144 59.370 58.200 0.043 0.000 0.974 555 S CB -0.484 62.860 63.200 0.240 0.000 0.800 555 S HN 0.531 nan 8.310 nan 0.000 0.484 556 I N 1.022 121.617 120.570 0.043 0.000 2.333 556 I HA -0.083 4.087 4.170 -0.000 0.000 0.246 556 I C 2.140 178.315 176.117 0.096 0.000 1.106 556 I CA 0.699 62.057 61.300 0.097 0.000 1.411 556 I CB -0.416 37.800 38.000 0.361 0.000 1.082 556 I HN 0.138 nan 8.210 nan 0.000 0.420 557 V N 1.293 121.268 119.914 0.102 0.000 2.343 557 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 557 V C 2.792 178.946 176.094 0.101 0.000 1.051 557 V CA 2.025 64.392 62.300 0.112 0.000 1.036 557 V CB -1.009 30.847 31.823 0.055 0.000 0.654 557 V HN 0.484 nan 8.190 nan 0.000 0.451 558 A N -0.225 122.614 122.820 0.030 0.000 1.908 558 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 558 A C 2.486 180.092 177.584 0.037 0.000 1.181 558 A CA 2.446 54.495 52.037 0.021 0.000 0.627 558 A CB -0.774 18.206 19.000 -0.033 0.000 0.818 558 A HN 0.528 nan 8.150 nan 0.000 0.445 559 S N -0.141 115.519 115.700 -0.066 0.000 2.368 559 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 559 S C 1.827 176.558 174.600 0.218 0.000 1.030 559 S CA 1.489 59.712 58.200 0.038 0.000 0.999 559 S CB -0.490 62.623 63.200 -0.145 0.000 0.844 559 S HN 0.498 nan 8.310 nan 0.000 0.459 560 L N 0.007 121.337 121.223 0.178 0.000 2.042 560 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 560 L C 2.225 179.176 176.870 0.135 0.000 1.076 560 L CA 1.414 56.354 54.840 0.168 0.000 0.749 560 L CB -0.509 41.653 42.059 0.172 0.000 0.893 560 L HN 0.258 nan 8.230 nan 0.000 0.432 561 F N 0.545 120.533 119.950 0.063 0.000 2.069 561 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 561 F C 2.238 178.126 175.800 0.147 0.000 1.113 561 F CA 1.681 59.742 58.000 0.100 0.000 1.214 561 F CB -0.156 38.900 39.000 0.093 0.000 0.978 561 F HN -0.128 nan 8.300 nan 0.000 0.474 562 L N 0.229 121.558 121.223 0.178 0.000 2.046 562 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 562 L C 2.491 179.139 176.870 -0.369 0.000 1.077 562 L CA 1.765 56.602 54.840 -0.005 0.000 0.747 562 L CB -0.839 41.230 42.059 0.015 0.000 0.896 562 L HN 0.135 nan 8.230 nan 0.000 0.432 563 K N 0.192 120.334 120.400 -0.429 0.000 2.218 563 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 563 K C 1.804 178.154 176.600 -0.417 0.000 1.046 563 K CA 1.170 57.132 56.287 -0.542 0.000 0.933 563 K CB 0.111 32.553 32.500 -0.096 0.000 0.728 563 K HN 0.233 nan 8.250 nan 0.000 0.454 564 E N -0.431 119.506 120.200 -0.437 0.000 2.418 564 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 564 E C 0.710 176.747 176.600 -0.937 0.000 1.026 564 E CA 0.795 56.799 56.400 -0.661 0.000 0.862 564 E CB 0.068 29.269 29.700 -0.832 0.000 0.799 564 E HN 0.390 nan 8.360 nan 0.000 0.518 565 F N -0.332 119.371 119.950 -0.411 0.000 2.653 565 F HA 0.126 4.653 4.527 -0.000 0.000 0.304 565 F C 0.389 176.009 175.800 -0.300 0.000 1.092 565 F CA -0.138 57.668 58.000 -0.323 0.000 1.279 565 F CB 0.907 39.728 39.000 -0.298 0.000 1.044 565 F HN -0.315 nan 8.300 nan 0.000 0.564 566 V N -0.081 119.665 119.914 -0.279 0.000 2.443 566 V HA 0.170 4.290 4.120 -0.000 0.000 0.293 566 V C 0.224 176.220 176.094 -0.164 0.000 1.021 566 V CA -0.360 61.805 62.300 -0.225 0.000 0.848 566 V CB 1.393 33.002 31.823 -0.355 0.000 0.998 566 V HN 0.021 nan 8.190 nan 0.000 0.424 567 Q N 2.395 122.134 119.800 -0.103 0.000 2.200 567 Q HA 0.115 4.455 4.340 -0.000 0.000 0.197 567 Q C 1.156 177.133 176.000 -0.039 0.000 0.953 567 Q CA 1.165 56.918 55.803 -0.084 0.000 0.851 567 Q CB 0.102 28.794 28.738 -0.077 0.000 0.938 567 Q HN 0.842 nan 8.270 nan 0.000 0.488 568 N N -0.162 118.529 118.700 -0.014 0.000 2.577 568 N HA 0.139 4.879 4.740 -0.000 0.000 0.285 568 N C -1.676 173.855 175.510 0.036 0.000 1.658 568 N CA 0.117 53.173 53.050 0.011 0.000 0.865 568 N CB 1.133 39.619 38.487 -0.002 0.000 1.419 568 N HN 0.145 nan 8.380 nan 0.000 0.495 569 T N -0.266 114.329 114.554 0.068 0.000 2.912 569 T HA 0.665 5.015 4.350 -0.000 0.000 0.299 569 T C -0.384 174.431 174.700 0.192 0.000 1.052 569 T CA -0.577 61.587 62.100 0.107 0.000 0.996 569 T CB 1.781 70.709 68.868 0.101 0.000 1.070 569 T HN 0.257 nan 8.240 nan 0.000 0.465 570 A N 2.324 125.276 122.820 0.220 0.000 2.524 570 A HA 0.463 4.783 4.320 -0.000 0.000 0.250 570 A C -0.726 177.085 177.584 0.378 0.000 1.078 570 A CA -0.033 52.180 52.037 0.292 0.000 0.761 570 A CB -0.311 18.907 19.000 0.362 0.000 1.012 570 A HN 0.861 nan 8.150 nan 0.000 0.500 571 W N 2.208 123.580 121.300 0.120 0.000 3.138 571 W HA 0.614 5.274 4.660 -0.000 0.000 0.331 571 W C -0.700 175.868 176.519 0.081 0.000 1.166 571 W CA 0.081 57.489 57.345 0.106 0.000 1.212 571 W CB 1.334 30.857 29.460 0.105 0.000 1.399 571 W HN 0.978 nan 8.180 nan 0.000 0.514 572 A N 3.468 125.804 122.820 -0.807 0.000 2.498 572 A HA 0.685 5.005 4.320 -0.000 0.000 0.298 572 A C -2.252 174.832 177.584 -0.834 0.000 1.075 572 A CA -0.670 50.821 52.037 -0.910 0.000 0.714 572 A CB 1.679 20.377 19.000 -0.503 0.000 1.299 572 A HN 0.989 nan 8.150 nan 0.000 0.407 573 H N 0.441 119.128 119.070 -0.639 0.000 2.782 573 H HA 0.693 5.249 4.556 -0.000 0.000 0.347 573 H C -1.737 173.607 175.328 0.026 0.000 1.038 573 H CA -0.649 55.283 56.048 -0.194 0.000 1.255 573 H CB 0.855 30.598 29.762 -0.033 0.000 1.623 573 H HN 0.492 nan 8.280 nan 0.000 0.525 574 I N 4.506 124.859 120.570 -0.362 0.000 2.355 574 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 574 I C -0.460 175.478 176.117 -0.298 0.000 0.999 574 I CA -0.685 60.467 61.300 -0.246 0.000 1.163 574 I CB 1.343 39.293 38.000 -0.084 0.000 1.316 574 I HN 0.585 nan 8.210 nan 0.000 0.454 575 D N 7.703 127.980 120.400 -0.205 0.000 2.359 575 D HA 0.299 4.939 4.640 -0.000 0.000 0.230 575 D C 0.437 176.731 176.300 -0.010 0.000 1.118 575 D CA -0.321 53.641 54.000 -0.065 0.000 0.844 575 D CB 1.305 42.190 40.800 0.140 0.000 1.059 575 D HN 0.587 nan 8.370 nan 0.000 0.493 576 I N 0.943 121.496 120.570 -0.028 0.000 3.927 576 I HA 0.367 4.537 4.170 -0.000 0.000 0.332 576 I C 1.557 177.661 176.117 -0.022 0.000 1.485 576 I CA -0.576 60.663 61.300 -0.101 0.000 1.131 576 I CB 0.666 38.615 38.000 -0.085 0.000 1.092 576 I HN 0.202 nan 8.210 nan 0.000 0.410 577 A N 1.972 124.822 122.820 0.050 0.000 1.948 577 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 577 A C 2.273 180.014 177.584 0.262 0.000 1.177 577 A CA 2.233 54.367 52.037 0.163 0.000 0.636 577 A CB -1.233 17.867 19.000 0.167 0.000 0.815 577 A HN 0.580 nan 8.150 nan 0.000 0.449 578 G N -1.088 107.807 108.800 0.159 0.000 2.494 578 G HA2 0.105 4.065 3.960 -0.000 0.000 0.216 578 G HA3 0.105 4.065 3.960 -0.000 0.000 0.216 578 G C 1.377 176.375 174.900 0.163 0.000 1.140 578 G CA 1.270 46.480 45.100 0.183 0.000 0.801 578 G HN 1.025 nan 8.290 nan 0.000 0.536 579 V N -1.963 117.941 119.914 -0.015 0.000 3.590 579 V HA 0.196 4.316 4.120 -0.000 0.000 0.265 579 V C 2.386 178.440 176.094 -0.067 0.000 1.239 579 V CA 1.495 63.704 62.300 -0.151 0.000 1.117 579 V CB 0.314 31.744 31.823 -0.654 0.000 0.818 579 V HN 0.247 nan 8.190 nan 0.000 0.451 580 S N -0.390 115.353 115.700 0.073 0.000 2.368 580 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 580 S C 0.667 175.414 174.600 0.246 0.000 1.029 580 S CA 0.515 58.833 58.200 0.196 0.000 0.988 580 S CB -0.211 63.142 63.200 0.256 0.000 0.838 580 S HN 0.814 nan 8.310 nan 0.000 0.462 581 W N 2.839 124.101 121.300 -0.064 0.000 2.433 581 W HA 0.441 5.101 4.660 0.000 0.000 0.315 581 W C -0.685 175.512 176.519 -0.536 0.000 1.087 581 W CA -0.947 56.188 57.345 -0.351 0.000 1.205 581 W CB 0.856 29.892 29.460 -0.706 0.000 1.288 581 W HN 0.131 nan 8.180 nan 0.000 0.504 582 N N 5.435 123.714 118.700 -0.702 0.000 2.482 582 N HA 0.042 4.782 4.740 -0.000 0.000 0.242 582 N C 0.602 175.877 175.510 -0.392 0.000 1.100 582 N CA -0.013 52.793 53.050 -0.407 0.000 0.946 582 N CB -0.197 38.122 38.487 -0.281 0.000 1.227 582 N HN 0.308 nan 8.380 nan 0.000 0.508 583 F N 2.137 122.132 119.950 0.075 0.000 2.171 583 F HA -0.082 4.445 4.527 0.000 0.000 0.300 583 F C 2.324 178.180 175.800 0.094 0.000 1.090 583 F CA 0.936 59.054 58.000 0.196 0.000 1.293 583 F CB 0.089 39.186 39.000 0.161 0.000 1.013 583 F HN 0.431 nan 8.300 nan 0.000 0.486 584 K N 0.541 121.062 120.400 0.202 0.000 2.025 584 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 584 K C 2.040 178.677 176.600 0.063 0.000 1.049 584 K CA 1.258 57.616 56.287 0.118 0.000 0.933 584 K CB -0.265 32.289 32.500 0.090 0.000 0.714 584 K HN 0.206 nan 8.250 nan 0.000 0.438 585 A N 0.729 123.550 122.820 0.002 0.000 2.251 585 A HA 0.077 4.397 4.320 -0.000 0.000 0.209 585 A C 0.020 177.559 177.584 -0.076 0.000 1.187 585 A CA 0.261 52.279 52.037 -0.032 0.000 0.823 585 A CB -0.200 18.772 19.000 -0.047 0.000 0.846 585 A HN 0.476 nan 8.150 nan 0.000 0.486 586 R N -0.958 119.493 120.500 -0.082 0.000 3.423 586 R HA -0.184 4.156 4.340 -0.000 0.000 0.271 586 R C -0.449 175.664 176.300 -0.312 0.000 1.093 586 R CA 1.368 57.467 56.100 -0.003 0.000 0.730 586 R CB -2.356 28.021 30.300 0.129 0.000 1.190 586 R HN 0.841 nan 8.270 nan 0.000 0.437 587 K N -2.140 117.695 120.400 -0.941 0.000 2.575 587 K HA 0.580 4.900 4.320 -0.000 0.000 0.279 587 K C -3.276 172.529 176.600 -1.324 0.000 0.969 587 K CA -2.315 53.352 56.287 -1.033 0.000 0.868 587 K CB 2.557 34.822 32.500 -0.391 0.000 1.457 587 K HN -0.299 nan 8.250 nan 0.000 0.426 588 P HA 0.122 nan 4.420 nan 0.000 0.272 588 P C -0.436 176.794 177.300 -0.116 0.000 1.240 588 P CA -0.483 62.399 63.100 -0.362 0.000 0.791 588 P CB 0.554 32.237 31.700 -0.028 0.000 0.978 589 K N 0.530 120.916 120.400 -0.024 0.000 2.334 589 K HA 0.168 4.488 4.320 -0.000 0.000 0.195 589 K C 1.091 177.640 176.600 -0.086 0.000 1.045 589 K CA 0.639 56.926 56.287 -0.001 0.000 1.004 589 K CB -0.236 32.303 32.500 0.064 0.000 0.837 589 K HN 0.798 nan 8.250 nan 0.000 0.510 590 G N 2.472 111.278 108.800 0.010 0.000 2.198 590 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 590 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 590 G C -0.126 174.749 174.900 -0.041 0.000 1.042 590 G CA -0.207 44.867 45.100 -0.044 0.000 0.791 590 G HN 0.330 nan 8.290 nan 0.000 0.502 591 F N 0.674 120.580 119.950 -0.073 0.000 2.572 591 F HA 0.400 4.927 4.527 0.000 0.000 0.370 591 F C 1.587 177.359 175.800 -0.047 0.000 1.103 591 F CA 1.906 59.875 58.000 -0.052 0.000 1.286 591 F CB 0.713 39.708 39.000 -0.008 0.000 1.105 591 F HN 0.948 nan 8.300 nan 0.000 0.583 592 G N 3.165 111.662 108.800 -0.505 0.000 2.313 592 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 592 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 592 G C 0.837 175.620 174.900 -0.195 0.000 1.023 592 G CA -0.001 44.952 45.100 -0.245 0.000 0.626 592 G HN 0.673 nan 8.290 nan 0.000 0.503 593 V N 1.562 121.367 119.914 -0.181 0.000 2.231 593 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 593 V C 2.899 178.834 176.094 -0.264 0.000 1.054 593 V CA 3.073 65.278 62.300 -0.160 0.000 1.015 593 V CB -0.616 31.121 31.823 -0.143 0.000 0.638 593 V HN 0.527 nan 8.190 nan 0.000 0.444 594 R N -0.704 119.579 120.500 -0.361 0.000 2.075 594 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 594 R C 2.236 178.358 176.300 -0.297 0.000 1.126 594 R CA 1.414 57.221 56.100 -0.489 0.000 0.963 594 R CB -0.609 29.483 30.300 -0.347 0.000 0.858 594 R HN 0.402 nan 8.270 nan 0.000 0.435 595 L N 1.268 122.340 121.223 -0.252 0.000 1.990 595 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 595 L C 1.971 178.803 176.870 -0.063 0.000 1.072 595 L CA 1.801 56.541 54.840 -0.167 0.000 0.755 595 L CB -0.373 41.544 42.059 -0.238 0.000 0.889 595 L HN 0.146 nan 8.230 nan 0.000 0.432 596 L N -1.466 119.722 121.223 -0.058 0.000 2.093 596 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 596 L C 2.350 179.288 176.870 0.113 0.000 1.085 596 L CA 1.571 56.447 54.840 0.061 0.000 0.755 596 L CB -1.054 41.041 42.059 0.060 0.000 0.904 596 L HN 0.316 nan 8.230 nan 0.000 0.435 597 T N -0.974 113.573 114.554 -0.011 0.000 2.708 597 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 597 T C 1.780 176.518 174.700 0.064 0.000 1.037 597 T CA 1.095 63.191 62.100 -0.007 0.000 1.146 597 T CB -0.151 68.607 68.868 -0.184 0.000 0.865 597 T HN 0.268 nan 8.240 nan 0.000 0.435 598 E N 0.609 120.846 120.200 0.062 0.000 2.118 598 E HA -0.104 4.246 4.350 -0.000 0.000 0.195 598 E C 1.876 178.539 176.600 0.105 0.000 0.992 598 E CA 0.790 57.263 56.400 0.120 0.000 0.804 598 E CB -0.430 29.336 29.700 0.110 0.000 0.741 598 E HN 0.531 nan 8.360 nan 0.000 0.458 599 F N 1.497 121.429 119.950 -0.030 0.000 2.069 599 F HA -0.227 4.300 4.527 0.000 0.000 0.298 599 F C 2.255 178.048 175.800 -0.013 0.000 1.113 599 F CA 1.162 59.135 58.000 -0.045 0.000 1.214 599 F CB -0.511 38.445 39.000 -0.073 0.000 0.978 599 F HN -0.212 nan 8.300 nan 0.000 0.474 600 V N 0.280 120.101 119.914 -0.155 0.000 2.295 600 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 600 V C 2.437 178.445 176.094 -0.144 0.000 1.049 600 V CA 1.725 63.900 62.300 -0.209 0.000 1.024 600 V CB -0.772 31.033 31.823 -0.030 0.000 0.648 600 V HN 0.300 nan 8.190 nan 0.000 0.447 601 L N 0.991 122.183 121.223 -0.051 0.000 2.056 601 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 601 L C 2.651 179.498 176.870 -0.040 0.000 1.078 601 L CA 2.341 57.169 54.840 -0.020 0.000 0.749 601 L CB -1.889 40.196 42.059 0.043 0.000 0.901 601 L HN 0.562 nan 8.230 nan 0.000 0.433 602 N N -1.128 117.541 118.700 -0.053 0.000 2.166 602 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 602 N C 1.210 176.672 175.510 -0.080 0.000 1.019 602 N CA 1.388 54.409 53.050 -0.050 0.000 0.856 602 N CB -0.596 37.871 38.487 -0.032 0.000 0.993 602 N HN 0.403 nan 8.380 nan 0.000 0.426 603 D N 0.000 120.307 120.400 -0.155 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.920 54.000 -0.134 0.000 0.868 603 D CB 0.000 40.654 40.800 -0.244 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683