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 3kqz_1_I 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 DKNXXXEYIK 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 0.000 174.634 174.600 0.057 0.000 1.055 86 S CA 0.000 58.238 58.200 0.064 0.000 1.107 86 S CB 0.000 63.238 63.200 0.063 0.000 0.593 87 E N 1.975 122.207 120.200 0.055 0.000 2.366 87 E HA 0.484 4.834 4.350 -0.000 0.000 0.266 87 E C -0.374 176.265 176.600 0.066 0.000 1.015 87 E CA 0.076 56.507 56.400 0.051 0.000 0.906 87 E CB 0.375 30.101 29.700 0.043 0.000 0.979 87 E HN 0.363 nan 8.360 nan 0.000 0.443 88 V N 6.248 126.202 119.914 0.066 0.000 2.432 88 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 88 V C -1.721 174.438 176.094 0.107 0.000 1.046 88 V CA -1.270 61.088 62.300 0.097 0.000 0.945 88 V CB 0.978 32.841 31.823 0.067 0.000 0.992 88 V HN 0.843 nan 8.190 nan 0.000 0.471 89 P HA 0.312 nan 4.420 nan 0.000 0.272 89 P C -0.961 176.385 177.300 0.076 0.000 1.223 89 P CA -0.397 62.746 63.100 0.072 0.000 0.784 89 P CB 0.821 32.529 31.700 0.013 0.000 0.923 90 Q N 0.144 119.954 119.800 0.017 0.000 2.389 90 Q HA 0.327 4.667 4.340 -0.000 0.000 0.277 90 Q C 0.452 176.436 176.000 -0.027 0.000 1.082 90 Q CA -0.948 54.859 55.803 0.007 0.000 0.810 90 Q CB 2.359 31.098 28.738 0.002 0.000 1.374 90 Q HN 0.044 nan 8.270 nan 0.000 0.422 91 V N 0.198 120.091 119.914 -0.036 0.000 2.575 91 V HA 0.034 4.154 4.120 -0.000 0.000 0.242 91 V C 0.668 176.743 176.094 -0.032 0.000 1.045 91 V CA 0.597 62.871 62.300 -0.044 0.000 1.065 91 V CB 0.550 32.340 31.823 -0.055 0.000 0.717 91 V HN 0.631 nan 8.190 nan 0.000 0.467 92 V N -1.970 117.926 119.914 -0.029 0.000 2.960 92 V HA 0.578 4.698 4.120 -0.000 0.000 0.315 92 V C 1.212 177.293 176.094 -0.021 0.000 1.087 92 V CA 0.105 62.391 62.300 -0.024 0.000 0.982 92 V CB 1.486 33.295 31.823 -0.024 0.000 1.039 92 V HN 0.257 nan 8.190 nan 0.000 0.437 93 S N 2.013 117.703 115.700 -0.016 0.000 2.469 93 S HA -0.056 4.414 4.470 -0.000 0.000 0.238 93 S C 1.320 175.910 174.600 -0.017 0.000 0.998 93 S CA 1.419 59.612 58.200 -0.013 0.000 0.957 93 S CB -0.793 62.403 63.200 -0.007 0.000 0.764 93 S HN 0.757 nan 8.310 nan 0.000 0.514 94 L N 0.918 122.129 121.223 -0.022 0.000 2.599 94 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 94 L C 0.038 176.875 176.870 -0.055 0.000 1.141 94 L CA 0.033 54.858 54.840 -0.026 0.000 0.877 94 L CB -0.461 41.587 42.059 -0.017 0.000 1.009 94 L HN 0.189 nan 8.230 nan 0.000 0.447 95 D N 1.741 122.104 120.400 -0.062 0.000 2.383 95 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 95 D C -2.095 174.125 176.300 -0.134 0.000 1.166 95 D CA -1.207 52.733 54.000 -0.099 0.000 0.879 95 D CB 1.023 41.791 40.800 -0.052 0.000 1.164 95 D HN -0.059 nan 8.370 nan 0.000 0.462 96 P HA 0.023 nan 4.420 nan 0.000 0.266 96 P C 0.666 177.881 177.300 -0.142 0.000 1.195 96 P CA -0.018 62.907 63.100 -0.292 0.000 0.768 96 P CB 0.446 31.656 31.700 -0.816 0.000 0.838 97 T N -2.318 112.204 114.554 -0.054 0.000 3.129 97 T HA 0.360 4.710 4.350 -0.000 0.000 0.267 97 T C 0.282 174.993 174.700 0.017 0.000 1.018 97 T CA -0.123 61.972 62.100 -0.008 0.000 0.903 97 T CB -0.518 68.356 68.868 0.011 0.000 1.067 97 T HN 0.511 nan 8.240 nan 0.000 0.549 98 S N 0.155 115.880 115.700 0.040 0.000 2.611 98 S HA 0.666 5.136 4.470 -0.000 0.000 0.268 98 S C -1.315 173.383 174.600 0.163 0.000 1.156 98 S CA -1.203 57.044 58.200 0.078 0.000 0.817 98 S CB 0.672 63.916 63.200 0.073 0.000 1.122 98 S HN 0.262 nan 8.310 nan 0.000 0.466 99 I N 2.582 123.228 120.570 0.126 0.000 2.342 99 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 99 I C -2.173 173.980 176.117 0.060 0.000 1.010 99 I CA -2.201 59.184 61.300 0.142 0.000 1.308 99 I CB 1.515 39.544 38.000 0.048 0.000 1.400 99 I HN 0.480 nan 8.210 nan 0.000 0.488 100 P HA 0.313 nan 4.420 nan 0.000 0.276 100 P C -0.783 176.412 177.300 -0.176 0.000 1.243 100 P CA 0.034 63.072 63.100 -0.104 0.000 0.768 100 P CB 0.933 32.483 31.700 -0.251 0.000 0.856 101 I N 2.056 122.540 120.570 -0.143 0.000 2.436 101 I HA 0.271 4.441 4.170 -0.000 0.000 0.289 101 I C 0.527 176.488 176.117 -0.259 0.000 1.010 101 I CA -0.588 60.546 61.300 -0.277 0.000 1.098 101 I CB 2.257 40.028 38.000 -0.383 0.000 1.266 101 I HN 0.272 nan 8.210 nan 0.000 0.434 102 E N 5.130 125.203 120.200 -0.213 0.000 2.134 102 E HA 0.286 4.636 4.350 -0.000 0.000 0.278 102 E C -0.753 175.880 176.600 0.055 0.000 0.959 102 E CA -0.111 56.273 56.400 -0.026 0.000 0.783 102 E CB 0.981 30.726 29.700 0.074 0.000 1.095 102 E HN 0.553 nan 8.360 nan 0.000 0.399 103 Y N 2.441 122.819 120.300 0.130 0.000 2.447 103 Y HA 0.125 4.675 4.550 -0.000 0.000 0.286 103 Y C 0.501 176.224 175.900 -0.295 0.000 1.153 103 Y CA -0.252 57.821 58.100 -0.045 0.000 1.241 103 Y CB 0.376 38.756 38.460 -0.133 0.000 1.284 103 Y HN 0.426 nan 8.280 nan 0.000 0.520 104 N N 1.407 120.096 118.700 -0.017 0.000 2.421 104 N HA 0.113 4.853 4.740 -0.000 0.000 0.260 104 N C -0.422 175.115 175.510 0.044 0.000 1.173 104 N CA -0.070 52.921 53.050 -0.098 0.000 0.960 104 N CB 0.511 38.941 38.487 -0.095 0.000 1.273 104 N HN 0.164 nan 8.380 nan 0.000 0.497 105 T N -0.769 113.921 114.554 0.226 0.000 2.934 105 T HA 0.345 4.695 4.350 -0.000 0.000 0.283 105 T C -1.756 172.875 174.700 -0.115 0.000 1.005 105 T CA -2.155 59.984 62.100 0.065 0.000 1.041 105 T CB 1.712 70.642 68.868 0.103 0.000 1.042 105 T HN 0.046 nan 8.240 nan 0.000 0.505 106 P HA -0.047 nan 4.420 nan 0.000 0.221 106 P C 1.511 178.528 177.300 -0.471 0.000 1.145 106 P CA 0.499 63.307 63.100 -0.486 0.000 0.795 106 P CB -0.103 30.988 31.700 -1.016 0.000 0.775 107 I N -1.228 119.001 120.570 -0.569 0.000 2.286 107 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 107 I C 1.924 177.666 176.117 -0.626 0.000 1.115 107 I CA 1.676 62.549 61.300 -0.712 0.000 1.392 107 I CB -1.777 35.540 38.000 -1.138 0.000 1.065 107 I HN 0.157 nan 8.210 nan 0.000 0.418 108 H N 0.600 119.490 119.070 -0.299 0.000 2.489 108 H HA -0.096 4.460 4.556 -0.000 0.000 0.293 108 H C 1.225 176.432 175.328 -0.202 0.000 1.066 108 H CA 1.152 57.070 56.048 -0.218 0.000 1.305 108 H CB 0.031 29.697 29.762 -0.160 0.000 1.386 108 H HN 0.292 nan 8.280 nan 0.000 0.551 109 D N 0.140 120.465 120.400 -0.125 0.000 2.340 109 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 109 D C 0.150 176.355 176.300 -0.158 0.000 1.039 109 D CA 0.252 54.180 54.000 -0.119 0.000 0.866 109 D CB 0.306 41.039 40.800 -0.110 0.000 0.913 109 D HN 0.377 nan 8.370 nan 0.000 0.523 110 I N 1.407 121.861 120.570 -0.193 0.000 2.379 110 I HA -0.011 4.159 4.170 -0.000 0.000 0.290 110 I C 0.457 176.495 176.117 -0.132 0.000 1.063 110 I CA -0.294 60.904 61.300 -0.170 0.000 1.351 110 I CB 0.648 38.550 38.000 -0.163 0.000 1.410 110 I HN -0.432 nan 8.210 nan 0.000 0.505 111 K N 5.352 125.667 120.400 -0.141 0.000 2.349 111 K HA 0.326 4.646 4.320 -0.000 0.000 0.288 111 K C -0.339 176.282 176.600 0.034 0.000 1.058 111 K CA -0.457 55.804 56.287 -0.043 0.000 0.953 111 K CB 1.291 33.790 32.500 -0.001 0.000 0.997 111 K HN 0.401 nan 8.250 nan 0.000 0.477 112 V N 4.175 124.112 119.914 0.038 0.000 2.384 112 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 112 V C -0.102 175.986 176.094 -0.010 0.000 1.020 112 V CA -0.680 61.655 62.300 0.058 0.000 0.850 112 V CB 1.443 33.334 31.823 0.115 0.000 0.987 112 V HN 0.774 nan 8.190 nan 0.000 0.436 113 Q N 3.079 122.823 119.800 -0.094 0.000 2.333 113 Q HA 0.665 5.005 4.340 -0.000 0.000 0.267 113 Q C -1.203 174.472 176.000 -0.542 0.000 1.012 113 Q CA -0.641 54.962 55.803 -0.333 0.000 0.824 113 Q CB 2.887 31.383 28.738 -0.404 0.000 1.290 113 Q HN 0.596 nan 8.270 nan 0.000 0.449 114 V N 2.986 122.591 119.914 -0.515 0.000 2.532 114 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 114 V C -0.937 174.730 176.094 -0.711 0.000 1.041 114 V CA -0.575 61.432 62.300 -0.489 0.000 0.926 114 V CB 0.662 32.364 31.823 -0.202 0.000 0.992 114 V HN 0.634 nan 8.190 nan 0.000 0.457 115 Y N 0.557 120.677 120.300 -0.300 0.000 2.536 115 Y HA 0.429 4.979 4.550 -0.000 0.000 0.347 115 Y C 0.110 175.914 175.900 -0.159 0.000 1.000 115 Y CA -1.025 56.895 58.100 -0.299 0.000 1.051 115 Y CB 1.464 39.550 38.460 -0.624 0.000 1.259 115 Y HN 0.517 nan 8.280 nan 0.000 0.468 116 D N 1.720 122.200 120.400 0.133 0.000 2.304 116 D HA 0.095 4.735 4.640 -0.000 0.000 0.250 116 D C 0.765 177.193 176.300 0.214 0.000 1.107 116 D CA 0.265 54.338 54.000 0.120 0.000 0.885 116 D CB 1.422 42.273 40.800 0.085 0.000 1.192 116 D HN 0.733 nan 8.370 nan 0.000 0.436 117 I N 3.226 123.912 120.570 0.194 0.000 2.454 117 I HA -0.304 3.866 4.170 -0.000 0.000 0.254 117 I C 2.585 178.791 176.117 0.147 0.000 1.156 117 I CA 1.101 62.532 61.300 0.217 0.000 1.433 117 I CB 0.115 38.208 38.000 0.155 0.000 1.082 117 I HN 0.341 nan 8.210 nan 0.000 0.432 118 K N 0.122 120.588 120.400 0.110 0.000 2.211 118 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 118 K C 1.610 178.254 176.600 0.073 0.000 1.047 118 K CA 1.257 57.590 56.287 0.077 0.000 0.935 118 K CB -1.854 30.682 32.500 0.059 0.000 0.728 118 K HN 0.557 nan 8.250 nan 0.000 0.452 119 G N -0.168 108.690 108.800 0.096 0.000 3.189 119 G HA2 0.463 4.423 3.960 -0.000 0.000 0.225 119 G HA3 0.463 4.423 3.960 -0.000 0.000 0.225 119 G C 0.736 175.679 174.900 0.072 0.000 1.159 119 G CA 0.095 45.242 45.100 0.079 0.000 0.763 119 G HN 1.139 nan 8.290 nan 0.000 0.549 120 G N -1.220 107.622 108.800 0.071 0.000 2.733 120 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 120 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 120 G C -0.185 174.651 174.900 -0.107 0.000 1.373 120 G CA -0.520 44.578 45.100 -0.003 0.000 0.838 120 G HN 0.795 nan 8.290 nan 0.000 0.588 121 C N 1.720 120.839 119.300 -0.300 0.000 2.307 121 C HA 0.571 5.031 4.460 -0.000 0.000 0.340 121 C C 0.389 175.225 174.990 -0.257 0.000 1.275 121 C CA -1.559 57.070 59.018 -0.648 0.000 1.811 121 C CB 0.279 27.570 27.740 -0.747 0.000 2.372 121 C HN 0.677 nan 8.230 nan 0.000 0.531 122 N N 1.739 120.350 118.700 -0.149 0.000 2.458 122 N HA 0.339 5.079 4.740 -0.000 0.000 0.270 122 N C -0.693 174.787 175.510 -0.050 0.000 1.102 122 N CA -0.101 52.913 53.050 -0.061 0.000 0.967 122 N CB 1.356 39.822 38.487 -0.036 0.000 1.078 122 N HN 0.502 nan 8.380 nan 0.000 0.471 123 V N 2.505 122.400 119.914 -0.033 0.000 2.284 123 V HA 0.232 4.352 4.120 -0.000 0.000 0.274 123 V C 0.572 176.654 176.094 -0.020 0.000 1.023 123 V CA -0.310 61.979 62.300 -0.019 0.000 0.808 123 V CB 0.922 32.748 31.823 0.006 0.000 1.035 123 V HN 0.668 nan 8.190 nan 0.000 0.445 124 E N 2.608 122.796 120.200 -0.019 0.000 2.508 124 E HA 0.202 4.552 4.350 -0.000 0.000 0.217 124 E C 0.378 176.958 176.600 -0.033 0.000 0.896 124 E CA 0.090 56.475 56.400 -0.025 0.000 1.118 124 E CB 1.038 30.727 29.700 -0.019 0.000 1.133 124 E HN 0.934 nan 8.360 nan 0.000 0.526 125 E N -1.519 118.663 120.200 -0.030 0.000 2.442 125 E HA 0.521 4.871 4.350 -0.000 0.000 0.278 125 E C 0.558 177.148 176.600 -0.018 0.000 1.082 125 E CA -0.854 55.528 56.400 -0.031 0.000 0.861 125 E CB 0.496 30.182 29.700 -0.023 0.000 1.462 125 E HN 0.022 nan 8.360 nan 0.000 0.458 126 G N 0.185 108.980 108.800 -0.008 0.000 2.661 126 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.327 126 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.327 126 G C -0.583 174.317 174.900 -0.000 0.000 1.320 126 G CA 0.808 45.913 45.100 0.009 0.000 0.997 126 G HN 0.753 nan 8.290 nan 0.000 0.543 127 L N 0.169 121.395 121.223 0.005 0.000 2.346 127 L HA 0.750 5.090 4.340 -0.000 0.000 0.276 127 L C 0.023 176.879 176.870 -0.023 0.000 1.006 127 L CA -0.132 54.702 54.840 -0.010 0.000 0.817 127 L CB 2.296 44.344 42.059 -0.017 0.000 1.272 127 L HN 0.633 nan 8.230 nan 0.000 0.421 128 T N 6.334 120.872 114.554 -0.026 0.000 2.842 128 T HA 0.531 4.881 4.350 -0.000 0.000 0.308 128 T C -0.350 174.307 174.700 -0.072 0.000 1.041 128 T CA -0.265 61.797 62.100 -0.063 0.000 0.964 128 T CB 0.361 69.203 68.868 -0.043 0.000 0.972 128 T HN 0.257 nan 8.240 nan 0.000 0.460 129 I N 3.718 124.199 120.570 -0.148 0.000 2.353 129 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 129 I C -0.299 175.695 176.117 -0.206 0.000 0.992 129 I CA -1.248 59.986 61.300 -0.110 0.000 1.268 129 I CB 0.658 38.570 38.000 -0.146 0.000 1.387 129 I HN 0.495 nan 8.210 nan 0.000 0.478 130 F N 5.750 125.686 119.950 -0.023 0.000 2.420 130 F HA 0.433 4.960 4.527 -0.000 0.000 0.342 130 F C 0.297 176.072 175.800 -0.042 0.000 1.113 130 F CA -0.624 57.363 58.000 -0.023 0.000 1.059 130 F CB 0.979 40.001 39.000 0.036 0.000 1.128 130 F HN 0.113 nan 8.300 nan 0.000 0.475 131 L N 5.004 126.212 121.223 -0.026 0.000 2.260 131 L HA 0.634 4.974 4.340 -0.000 0.000 0.289 131 L C -0.403 176.476 176.870 0.015 0.000 1.057 131 L CA -0.759 54.023 54.840 -0.096 0.000 0.811 131 L CB 1.058 42.862 42.059 -0.425 0.000 1.184 131 L HN 0.453 nan 8.230 nan 0.000 0.429 132 V N 4.209 124.169 119.914 0.078 0.000 2.808 132 V HA 0.632 4.752 4.120 -0.000 0.000 0.308 132 V C -1.173 174.950 176.094 0.049 0.000 1.099 132 V CA -0.431 61.905 62.300 0.060 0.000 0.920 132 V CB 2.238 34.082 31.823 0.035 0.000 1.014 132 V HN 0.910 nan 8.190 nan 0.000 0.425 133 N N 3.775 122.495 118.700 0.034 0.000 2.653 133 N HA 0.529 5.269 4.740 -0.000 0.000 0.294 133 N C -1.261 174.260 175.510 0.018 0.000 1.305 133 N CA -0.782 52.290 53.050 0.036 0.000 0.827 133 N CB 1.693 40.207 38.487 0.045 0.000 1.415 133 N HN 0.601 nan 8.380 nan 0.000 0.546 134 N N -0.340 118.373 118.700 0.022 0.000 2.707 134 N HA 0.354 5.094 4.740 -0.000 0.000 0.249 134 N C -2.962 172.559 175.510 0.020 0.000 1.299 134 N CA -0.983 52.075 53.050 0.013 0.000 0.769 134 N CB 1.046 39.536 38.487 0.005 0.000 1.236 134 N HN 0.378 nan 8.380 nan 0.000 0.524 135 P HA 0.150 nan 4.420 nan 0.000 0.260 135 P C 0.919 178.231 177.300 0.021 0.000 1.185 135 P CA 0.891 64.006 63.100 0.025 0.000 0.763 135 P CB 0.562 32.278 31.700 0.026 0.000 0.776 136 G N 1.584 110.398 108.800 0.022 0.000 3.586 136 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.212 136 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.212 136 G C 0.542 175.453 174.900 0.018 0.000 1.411 136 G CA 0.072 45.184 45.100 0.019 0.000 0.898 136 G HN 0.796 nan 8.290 nan 0.000 0.575 137 K N 1.747 122.157 120.400 0.015 0.000 2.250 137 K HA 0.632 4.952 4.320 -0.000 0.000 0.277 137 K C 0.459 177.071 176.600 0.021 0.000 1.091 137 K CA 1.744 58.039 56.287 0.014 0.000 1.046 137 K CB -1.339 31.166 32.500 0.009 0.000 0.982 137 K HN 2.110 nan 8.250 nan 0.000 0.429 138 E N 3.538 123.751 120.200 0.022 0.000 2.606 138 E HA 0.111 4.461 4.350 -0.000 0.000 0.248 138 E C 0.445 177.064 176.600 0.031 0.000 1.005 138 E CA 0.136 56.553 56.400 0.027 0.000 0.946 138 E CB -0.748 28.967 29.700 0.025 0.000 0.928 138 E HN 0.766 nan 8.360 nan 0.000 0.494 139 N N 0.774 119.498 118.700 0.040 0.000 2.725 139 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 139 N C 0.690 176.224 175.510 0.040 0.000 1.103 139 N CA 1.137 54.216 53.050 0.048 0.000 0.707 139 N CB -1.753 36.764 38.487 0.050 0.000 1.043 139 N HN 1.077 nan 8.380 nan 0.000 0.553 140 G N 0.572 109.389 108.800 0.028 0.000 2.712 140 G HA2 0.316 4.276 3.960 -0.000 0.000 0.258 140 G HA3 0.316 4.276 3.960 -0.000 0.000 0.258 140 G C -1.961 172.944 174.900 0.009 0.000 1.241 140 G CA -0.504 44.605 45.100 0.014 0.000 0.923 140 G HN 0.103 nan 8.290 nan 0.000 0.548 141 P HA 0.168 nan 4.420 nan 0.000 0.274 141 P C -0.237 177.027 177.300 -0.059 0.000 1.246 141 P CA -0.376 62.709 63.100 -0.025 0.000 0.795 141 P CB 0.931 32.607 31.700 -0.041 0.000 1.006 142 V N 2.526 122.381 119.914 -0.099 0.000 2.455 142 V HA 0.136 4.256 4.120 -0.000 0.000 0.273 142 V C 0.705 176.712 176.094 -0.145 0.000 1.045 142 V CA 0.439 62.615 62.300 -0.207 0.000 0.976 142 V CB -0.342 31.233 31.823 -0.414 0.000 0.993 142 V HN 0.458 nan 8.190 nan 0.000 0.475 143 K N 5.663 125.983 120.400 -0.133 0.000 2.640 143 K HA 0.483 4.803 4.320 -0.000 0.000 0.245 143 K C -0.981 175.548 176.600 -0.118 0.000 0.962 143 K CA -0.655 55.564 56.287 -0.113 0.000 0.896 143 K CB 1.586 34.039 32.500 -0.077 0.000 1.147 143 K HN 0.419 nan 8.250 nan 0.000 0.445 144 I N 2.816 123.284 120.570 -0.169 0.000 2.618 144 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 144 I C 1.578 177.633 176.117 -0.104 0.000 1.146 144 I CA 0.619 61.795 61.300 -0.205 0.000 1.425 144 I CB 0.689 38.438 38.000 -0.419 0.000 1.383 144 I HN 0.718 nan 8.210 nan 0.000 0.562 145 S N 2.987 118.667 115.700 -0.033 0.000 2.497 145 S HA 0.110 4.580 4.470 -0.000 0.000 0.221 145 S C 0.891 175.507 174.600 0.027 0.000 1.037 145 S CA -0.343 57.857 58.200 0.001 0.000 0.920 145 S CB 0.061 63.273 63.200 0.020 0.000 0.800 145 S HN 0.563 nan 8.310 nan 0.000 0.505 146 S N 2.641 118.385 115.700 0.074 0.000 2.568 146 S HA 0.495 4.965 4.470 -0.000 0.000 0.282 146 S C 0.377 175.009 174.600 0.053 0.000 1.338 146 S CA -0.061 58.196 58.200 0.094 0.000 1.045 146 S CB 0.478 63.792 63.200 0.190 0.000 0.873 146 S HN 0.846 nan 8.310 nan 0.000 0.516 147 K N 1.567 121.988 120.400 0.036 0.000 2.382 147 K HA 0.468 4.788 4.320 -0.000 0.000 0.275 147 K C -0.455 176.154 176.600 0.015 0.000 1.009 147 K CA -0.359 55.939 56.287 0.018 0.000 0.970 147 K CB 0.175 32.684 32.500 0.014 0.000 0.934 147 K HN 0.487 nan 8.250 nan 0.000 0.479 148 V N 2.903 122.824 119.914 0.012 0.000 2.540 148 V HA 0.273 4.393 4.120 -0.000 0.000 0.302 148 V C -0.464 175.629 176.094 -0.002 0.000 1.035 148 V CA -1.142 61.164 62.300 0.011 0.000 0.873 148 V CB 1.985 33.841 31.823 0.055 0.000 0.992 148 V HN 0.949 nan 8.190 nan 0.000 0.428 149 N N 3.972 122.661 118.700 -0.017 0.000 3.324 149 N HA 0.247 4.987 4.740 -0.000 0.000 0.302 149 N C -0.678 174.830 175.510 -0.004 0.000 1.360 149 N CA 0.043 53.087 53.050 -0.011 0.000 1.190 149 N CB 0.277 38.753 38.487 -0.017 0.000 1.462 149 N HN 0.713 nan 8.380 nan 0.000 0.532 150 D N -0.092 120.311 120.400 0.006 0.000 2.548 150 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 150 D C 0.852 177.164 176.300 0.020 0.000 1.345 150 D CA -0.170 53.838 54.000 0.013 0.000 0.945 150 D CB 1.009 41.819 40.800 0.015 0.000 1.499 150 D HN 0.155 nan 8.370 nan 0.000 0.579 151 K N 2.497 122.908 120.400 0.018 0.000 2.034 151 K HA -0.238 4.082 4.320 -0.000 0.000 0.214 151 K C 1.688 178.308 176.600 0.033 0.000 1.051 151 K CA 1.539 57.838 56.287 0.020 0.000 0.931 151 K CB -0.590 31.920 32.500 0.017 0.000 0.715 151 K HN 0.456 nan 8.250 nan 0.000 0.446 152 Q N -0.082 119.744 119.800 0.044 0.000 2.046 152 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 152 Q C 2.393 178.448 176.000 0.091 0.000 0.975 152 Q CA 1.571 57.415 55.803 0.068 0.000 0.836 152 Q CB -0.479 28.302 28.738 0.073 0.000 0.896 152 Q HN 0.443 nan 8.270 nan 0.000 0.428 153 V N 0.856 120.812 119.914 0.069 0.000 2.358 153 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 153 V C 2.319 178.466 176.094 0.089 0.000 1.047 153 V CA 1.732 64.083 62.300 0.086 0.000 1.035 153 V CB -0.697 31.163 31.823 0.063 0.000 0.658 153 V HN 0.259 nan 8.190 nan 0.000 0.452 154 S N -0.377 115.352 115.700 0.048 0.000 2.374 154 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 154 S C 2.114 176.720 174.600 0.010 0.000 1.037 154 S CA 1.757 59.967 58.200 0.017 0.000 1.024 154 S CB -0.309 62.894 63.200 0.006 0.000 0.861 154 S HN 0.655 nan 8.310 nan 0.000 0.456 155 E N 0.317 120.537 120.200 0.033 0.000 2.051 155 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 155 E C 1.644 178.247 176.600 0.004 0.000 0.991 155 E CA 0.963 57.373 56.400 0.017 0.000 0.799 155 E CB -0.602 29.121 29.700 0.038 0.000 0.748 155 E HN 0.701 nan 8.360 nan 0.000 0.449 156 F N 0.279 120.188 119.950 -0.068 0.000 2.250 156 F HA -0.002 4.525 4.527 -0.000 0.000 0.301 156 F C 1.731 177.422 175.800 -0.181 0.000 1.077 156 F CA 1.235 59.167 58.000 -0.113 0.000 1.348 156 F CB 0.138 39.081 39.000 -0.095 0.000 1.040 156 F HN 0.094 nan 8.300 nan 0.000 0.509 157 L N -0.513 120.690 121.223 -0.032 0.000 2.653 157 L HA 0.076 4.416 4.340 -0.000 0.000 0.231 157 L C 0.633 177.410 176.870 -0.154 0.000 1.153 157 L CA -0.232 54.534 54.840 -0.122 0.000 0.933 157 L CB -0.527 41.457 42.059 -0.126 0.000 1.175 157 L HN -0.371 nan 8.230 nan 0.000 0.473 158 K N 0.254 120.564 120.400 -0.151 0.000 2.469 158 K HA -0.056 4.263 4.320 -0.000 0.000 0.274 158 K C 0.753 177.261 176.600 -0.154 0.000 0.983 158 K CA -0.143 56.063 56.287 -0.135 0.000 0.974 158 K CB 0.709 33.135 32.500 -0.123 0.000 0.913 158 K HN 0.125 nan 8.250 nan 0.000 0.493 159 D N 1.595 121.921 120.400 -0.124 0.000 2.133 159 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 159 D C 1.960 178.177 176.300 -0.138 0.000 0.997 159 D CA 1.780 55.708 54.000 -0.120 0.000 0.840 159 D CB 0.001 40.746 40.800 -0.093 0.000 0.947 159 D HN 0.607 nan 8.370 nan 0.000 0.452 160 E N 0.179 120.295 120.200 -0.140 0.000 2.085 160 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 160 E C 1.847 178.323 176.600 -0.206 0.000 0.994 160 E CA 1.089 57.398 56.400 -0.152 0.000 0.801 160 E CB -0.794 28.826 29.700 -0.133 0.000 0.743 160 E HN 0.398 nan 8.360 nan 0.000 0.453 161 N N -0.936 117.613 118.700 -0.252 0.000 2.515 161 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 161 N C 1.176 176.483 175.510 -0.339 0.000 1.109 161 N CA 0.574 53.410 53.050 -0.357 0.000 0.903 161 N CB 0.043 38.220 38.487 -0.517 0.000 0.969 161 N HN 0.124 nan 8.380 nan 0.000 0.450 162 M N -0.342 119.121 119.600 -0.227 0.000 2.337 162 M HA 0.110 4.590 4.480 -0.000 0.000 0.256 162 M C 1.240 177.464 176.300 -0.126 0.000 1.075 162 M CA 0.360 55.617 55.300 -0.072 0.000 1.024 162 M CB -0.065 32.499 32.600 -0.059 0.000 1.429 162 M HN 0.257 nan 8.290 nan 0.000 0.497 163 E N 1.361 121.433 120.200 -0.214 0.000 2.152 163 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 163 E C 1.451 177.920 176.600 -0.218 0.000 0.983 163 E CA 1.195 57.491 56.400 -0.174 0.000 0.818 163 E CB -0.567 29.043 29.700 -0.150 0.000 0.758 163 E HN 0.549 nan 8.360 nan 0.000 0.467 164 K N 0.540 120.691 120.400 -0.414 0.000 2.442 164 K HA -0.046 4.274 4.320 -0.000 0.000 0.198 164 K C -0.262 176.121 176.600 -0.361 0.000 1.044 164 K CA 0.642 56.651 56.287 -0.464 0.000 0.948 164 K CB -0.359 31.759 32.500 -0.636 0.000 0.762 164 K HN 0.124 nan 8.250 nan 0.000 0.472 165 F N 1.891 121.868 119.950 0.044 0.000 2.480 165 F HA 0.283 4.810 4.527 -0.000 0.000 0.329 165 F C 0.206 176.022 175.800 0.026 0.000 1.091 165 F CA -1.500 56.563 58.000 0.106 0.000 0.972 165 F CB 1.311 40.430 39.000 0.198 0.000 1.150 165 F HN 0.027 nan 8.300 nan 0.000 0.467 166 N N -0.492 118.386 118.700 0.297 0.000 2.619 166 N HA 0.485 5.225 4.740 -0.000 0.000 0.294 166 N C -0.334 175.283 175.510 0.180 0.000 1.279 166 N CA -0.854 52.288 53.050 0.155 0.000 0.867 166 N CB 1.349 39.907 38.487 0.118 0.000 1.329 166 N HN 0.355 nan 8.380 nan 0.000 0.557 167 V N -4.258 115.725 119.914 0.114 0.000 3.342 167 V HA 0.315 4.435 4.120 -0.000 0.000 0.322 167 V C 0.595 176.770 176.094 0.134 0.000 1.370 167 V CA -0.459 61.920 62.300 0.131 0.000 1.170 167 V CB -1.435 30.424 31.823 0.060 0.000 1.101 167 V HN 0.707 nan 8.190 nan 0.000 0.442 168 K N 1.806 122.282 120.400 0.126 0.000 2.504 168 K HA 0.037 4.357 4.320 -0.000 0.000 0.278 168 K C 0.154 176.807 176.600 0.089 0.000 1.025 168 K CA -0.140 56.203 56.287 0.094 0.000 1.093 168 K CB 0.217 32.767 32.500 0.084 0.000 0.873 168 K HN 0.546 nan 8.250 nan 0.000 0.483 169 L N 4.990 126.257 121.223 0.072 0.000 2.700 169 L HA -0.124 4.216 4.340 -0.000 0.000 0.276 169 L C 1.125 178.026 176.870 0.050 0.000 1.200 169 L CA 1.773 56.652 54.840 0.065 0.000 0.951 169 L CB -0.470 41.626 42.059 0.061 0.000 1.226 169 L HN 1.187 nan 8.230 nan 0.000 0.489 170 G N 2.235 111.057 108.800 0.037 0.000 2.175 170 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 170 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 170 G C 0.452 175.336 174.900 -0.026 0.000 0.982 170 G CA 0.356 45.459 45.100 0.005 0.000 0.641 170 G HN 0.660 nan 8.290 nan 0.000 0.527 171 T N 0.926 115.476 114.554 -0.006 0.000 2.913 171 T HA 0.603 4.953 4.350 -0.000 0.000 0.297 171 T C 0.494 175.061 174.700 -0.222 0.000 1.029 171 T CA 1.081 63.155 62.100 -0.043 0.000 1.104 171 T CB 0.807 69.715 68.868 0.067 0.000 0.964 171 T HN 1.604 nan 8.240 nan 0.000 0.532 172 S N 2.784 118.257 115.700 -0.377 0.000 2.570 172 S HA 0.795 5.265 4.470 -0.000 0.000 0.270 172 S C -1.642 172.521 174.600 -0.728 0.000 1.149 172 S CA -1.126 56.637 58.200 -0.728 0.000 0.837 172 S CB 1.970 64.860 63.200 -0.517 0.000 1.124 172 S HN 0.582 nan 8.310 nan 0.000 0.465 173 K N 0.358 120.137 120.400 -1.036 0.000 2.469 173 K HA 0.632 4.952 4.320 -0.000 0.000 0.254 173 K C -1.876 174.140 176.600 -0.973 0.000 0.939 173 K CA -0.426 55.372 56.287 -0.815 0.000 0.812 173 K CB 1.562 33.531 32.500 -0.885 0.000 1.301 173 K HN 0.820 nan 8.250 nan 0.000 0.433 174 H N 1.098 119.768 119.070 -0.668 0.000 2.472 174 H HA 0.574 5.130 4.556 -0.000 0.000 0.338 174 H C -0.910 174.119 175.328 -0.498 0.000 1.133 174 H CA -0.266 55.441 56.048 -0.568 0.000 1.216 174 H CB 0.823 30.439 29.762 -0.243 0.000 1.497 174 H HN 0.341 nan 8.280 nan 0.000 0.500 175 F N 1.423 121.435 119.950 0.102 0.000 2.577 175 F HA 0.332 4.859 4.527 -0.000 0.000 0.318 175 F C -0.974 174.774 175.800 -0.086 0.000 1.065 175 F CA -1.173 56.818 58.000 -0.015 0.000 0.929 175 F CB 1.755 40.658 39.000 -0.162 0.000 1.237 175 F HN 0.421 nan 8.300 nan 0.000 0.468 176 Y N 4.863 125.086 120.300 -0.129 0.000 2.406 176 Y HA 0.723 5.273 4.550 -0.000 0.000 0.340 176 Y C -0.905 174.789 175.900 -0.343 0.000 0.975 176 Y CA -1.078 56.903 58.100 -0.198 0.000 1.056 176 Y CB 1.487 39.874 38.460 -0.121 0.000 1.210 176 Y HN 0.655 nan 8.280 nan 0.000 0.448 177 M N 3.919 123.060 119.600 -0.764 0.000 2.833 177 M HA 0.509 4.989 4.480 -0.000 0.000 0.270 177 M C -2.310 173.581 176.300 -0.682 0.000 1.209 177 M CA -0.719 54.234 55.300 -0.578 0.000 0.826 177 M CB 2.180 34.550 32.600 -0.384 0.000 1.657 177 M HN 0.540 nan 8.290 nan 0.000 0.492 178 F N 2.826 122.625 119.950 -0.252 0.000 2.415 178 F HA 0.397 4.924 4.527 -0.000 0.000 0.348 178 F C 0.704 176.441 175.800 -0.105 0.000 1.119 178 F CA -0.219 57.677 58.000 -0.173 0.000 1.069 178 F CB 1.095 40.036 39.000 -0.100 0.000 1.124 178 F HN 0.717 nan 8.300 nan 0.000 0.472 179 N N 1.219 119.946 118.700 0.045 0.000 2.327 179 N HA 0.010 4.750 4.740 -0.000 0.000 0.257 179 N C 0.539 176.087 175.510 0.064 0.000 1.281 179 N CA -0.302 52.770 53.050 0.036 0.000 0.942 179 N CB 0.296 38.782 38.487 -0.001 0.000 1.199 179 N HN 0.444 nan 8.380 nan 0.000 0.532 180 D N -0.767 119.656 120.400 0.039 0.000 2.190 180 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 180 D C 0.311 176.631 176.300 0.032 0.000 0.992 180 D CA 1.232 55.251 54.000 0.032 0.000 0.854 180 D CB -0.349 40.463 40.800 0.020 0.000 0.936 180 D HN 0.521 nan 8.370 nan 0.000 0.462 181 N N 0.444 119.165 118.700 0.034 0.000 2.421 181 N HA -0.001 4.739 4.740 -0.000 0.000 0.201 181 N C 0.589 176.135 175.510 0.059 0.000 1.198 181 N CA 0.749 53.819 53.050 0.035 0.000 0.838 181 N CB -0.132 38.370 38.487 0.025 0.000 1.011 181 N HN 0.282 nan 8.380 nan 0.000 0.463 182 K N -0.148 120.302 120.400 0.084 0.000 3.071 182 K HA -0.266 4.054 4.320 -0.000 0.000 0.262 182 K C -0.310 176.452 176.600 0.270 0.000 0.977 182 K CA 1.394 57.758 56.287 0.130 0.000 0.721 182 K CB -2.888 29.627 32.500 0.025 0.000 1.293 182 K HN 0.651 nan 8.250 nan 0.000 0.475 183 N N -0.246 118.592 118.700 0.230 0.000 2.384 183 N HA 0.530 5.270 4.740 -0.000 0.000 0.301 183 N C -0.035 175.410 175.510 -0.109 0.000 1.133 183 N CA -0.162 52.968 53.050 0.134 0.000 0.853 183 N CB 1.689 40.193 38.487 0.028 0.000 1.241 183 N HN 0.534 nan 8.380 nan 0.000 0.502 184 S N 0.764 116.257 115.700 -0.345 0.000 2.505 184 S HA 0.385 4.855 4.470 -0.000 0.000 0.276 184 S C -0.416 173.861 174.600 -0.538 0.000 1.274 184 S CA -0.489 57.191 58.200 -0.867 0.000 1.053 184 S CB 0.621 63.402 63.200 -0.698 0.000 0.919 184 S HN 0.271 nan 8.310 nan 0.000 0.490 185 V N 2.949 122.480 119.914 -0.638 0.000 2.686 185 V HA 0.733 4.853 4.120 -0.000 0.000 0.306 185 V C -0.165 175.737 176.094 -0.321 0.000 1.065 185 V CA -0.505 61.591 62.300 -0.339 0.000 0.894 185 V CB 1.826 33.512 31.823 -0.228 0.000 1.004 185 V HN 1.256 nan 8.190 nan 0.000 0.424 186 A N 5.868 128.602 122.820 -0.144 0.000 2.260 186 A HA 0.818 5.138 4.320 -0.000 0.000 0.308 186 A C -0.619 176.959 177.584 -0.009 0.000 1.254 186 A CA -0.302 51.710 52.037 -0.041 0.000 0.874 186 A CB 1.026 20.053 19.000 0.045 0.000 1.153 186 A HN 0.744 nan 8.150 nan 0.000 0.527 187 V N 1.538 121.471 119.914 0.031 0.000 3.019 187 V HA 0.950 5.070 4.120 -0.000 0.000 0.317 187 V C 0.774 176.828 176.094 -0.066 0.000 1.094 187 V CA 0.315 62.687 62.300 0.119 0.000 1.000 187 V CB 2.080 34.083 31.823 0.299 0.000 1.060 187 V HN 1.407 nan 8.190 nan 0.000 0.443 188 G N 0.497 109.266 108.800 -0.051 0.000 2.488 188 G HA2 0.643 4.603 3.960 -0.000 0.000 0.301 188 G HA3 0.643 4.603 3.960 -0.000 0.000 0.301 188 G C -2.005 172.886 174.900 -0.016 0.000 1.339 188 G CA -0.253 44.585 45.100 -0.438 0.000 0.803 188 G HN 1.220 nan 8.290 nan 0.000 0.482 189 Y N -1.783 118.356 120.300 -0.269 0.000 2.581 189 Y HA 0.775 5.325 4.550 -0.000 0.000 0.337 189 Y C -1.484 174.324 175.900 -0.153 0.000 1.108 189 Y CA -1.449 56.603 58.100 -0.080 0.000 1.033 189 Y CB 1.623 40.093 38.460 0.016 0.000 1.318 189 Y HN 0.538 nan 8.280 nan 0.000 0.459 190 V N 2.830 122.708 119.914 -0.060 0.000 2.495 190 V HA 0.733 4.853 4.120 -0.000 0.000 0.298 190 V C 0.455 176.656 176.094 0.178 0.000 1.031 190 V CA -0.379 61.843 62.300 -0.130 0.000 0.871 190 V CB 1.611 33.366 31.823 -0.114 0.000 0.988 190 V HN 1.130 nan 8.190 nan 0.000 0.432 191 G N 1.930 110.851 108.800 0.202 0.000 2.403 191 G HA2 0.332 4.292 3.960 -0.000 0.000 0.259 191 G HA3 0.332 4.292 3.960 -0.000 0.000 0.259 191 G C 0.331 175.302 174.900 0.118 0.000 1.244 191 G CA -0.205 45.040 45.100 0.243 0.000 0.849 191 G HN 0.895 nan 8.290 nan 0.000 0.532 192 C N 2.197 121.556 119.300 0.098 0.000 2.760 192 C HA 0.664 5.124 4.460 -0.000 0.000 0.293 192 C C 1.572 176.605 174.990 0.072 0.000 1.383 192 C CA -0.099 58.964 59.018 0.074 0.000 1.771 192 C CB -1.544 26.231 27.740 0.059 0.000 2.353 192 C HN 1.405 nan 8.230 nan 0.000 0.578 193 G N 2.084 110.928 108.800 0.074 0.000 2.593 193 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.237 193 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.237 193 G C 0.553 175.486 174.900 0.054 0.000 1.312 193 G CA 0.286 45.424 45.100 0.064 0.000 0.896 193 G HN 0.935 nan 8.290 nan 0.000 0.574 194 S N -1.867 113.862 115.700 0.048 0.000 2.603 194 S HA 0.503 4.973 4.470 -0.000 0.000 0.232 194 S C 0.319 174.943 174.600 0.040 0.000 1.016 194 S CA 0.797 59.021 58.200 0.040 0.000 0.976 194 S CB 0.788 64.009 63.200 0.034 0.000 0.921 194 S HN 1.417 nan 8.310 nan 0.000 0.516 195 V N 2.730 122.671 119.914 0.045 0.000 2.333 195 V HA 0.626 4.746 4.120 -0.000 0.000 0.274 195 V C 1.402 177.526 176.094 0.050 0.000 1.028 195 V CA -0.133 62.194 62.300 0.045 0.000 0.851 195 V CB 0.455 32.306 31.823 0.047 0.000 1.000 195 V HN 0.445 nan 8.190 nan 0.000 0.456 196 A N 2.937 125.785 122.820 0.046 0.000 2.125 196 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 196 A C 1.227 178.846 177.584 0.058 0.000 1.156 196 A CA 1.371 53.438 52.037 0.051 0.000 0.671 196 A CB -0.618 18.408 19.000 0.044 0.000 0.794 196 A HN 0.960 nan 8.150 nan 0.000 0.459 197 D N 0.277 120.711 120.400 0.055 0.000 2.473 197 D HA 0.570 5.210 4.640 -0.000 0.000 0.226 197 D C -0.338 176.000 176.300 0.063 0.000 1.089 197 D CA -0.554 53.480 54.000 0.058 0.000 0.883 197 D CB 0.054 40.884 40.800 0.049 0.000 1.029 197 D HN 0.329 nan 8.370 nan 0.000 0.517 198 L N 2.089 123.357 121.223 0.076 0.000 2.367 198 L HA 0.357 4.697 4.340 -0.000 0.000 0.275 198 L C 1.425 178.339 176.870 0.072 0.000 1.129 198 L CA -0.577 54.314 54.840 0.085 0.000 0.839 198 L CB 1.262 43.389 42.059 0.113 0.000 1.133 198 L HN 0.603 nan 8.230 nan 0.000 0.453 199 S N 1.721 117.461 115.700 0.066 0.000 2.645 199 S HA 0.087 4.556 4.470 -0.000 0.000 0.266 199 S C 0.998 175.610 174.600 0.021 0.000 1.258 199 S CA -0.607 57.616 58.200 0.038 0.000 0.990 199 S CB 1.597 64.830 63.200 0.056 0.000 0.967 199 S HN 0.757 nan 8.310 nan 0.000 0.556 200 E N 1.566 121.715 120.200 -0.086 0.000 2.082 200 E HA -0.338 4.012 4.350 -0.000 0.000 0.215 200 E C 2.002 178.658 176.600 0.093 0.000 1.048 200 E CA 2.176 58.455 56.400 -0.202 0.000 0.869 200 E CB -0.983 28.550 29.700 -0.278 0.000 0.773 200 E HN 0.852 nan 8.360 nan 0.000 0.466 201 A N 1.063 123.951 122.820 0.114 0.000 1.972 201 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 201 A C 1.889 179.562 177.584 0.148 0.000 1.169 201 A CA 1.879 54.010 52.037 0.156 0.000 0.635 201 A CB -0.469 18.614 19.000 0.140 0.000 0.810 201 A HN 0.377 nan 8.150 nan 0.000 0.446 202 D N -0.781 119.696 120.400 0.129 0.000 2.084 202 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 202 D C 1.822 178.218 176.300 0.159 0.000 0.990 202 D CA 1.743 55.817 54.000 0.123 0.000 0.826 202 D CB -0.441 40.422 40.800 0.104 0.000 0.971 202 D HN 0.370 nan 8.370 nan 0.000 0.453 203 M N 1.067 120.798 119.600 0.218 0.000 2.149 203 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 203 M C 1.815 178.281 176.300 0.277 0.000 1.064 203 M CA 1.547 57.031 55.300 0.306 0.000 1.102 203 M CB -0.240 32.637 32.600 0.462 0.000 1.369 203 M HN -0.175 nan 8.290 nan 0.000 0.408 204 K N -0.691 119.887 120.400 0.298 0.000 2.209 204 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 204 K C 2.010 178.666 176.600 0.093 0.000 1.048 204 K CA 1.312 57.707 56.287 0.180 0.000 0.940 204 K CB -0.036 32.602 32.500 0.229 0.000 0.729 204 K HN 0.371 nan 8.250 nan 0.000 0.451 205 R N -0.291 120.271 120.500 0.104 0.000 2.075 205 R HA -0.029 4.311 4.340 -0.000 0.000 0.226 205 R C 2.183 178.505 176.300 0.036 0.000 1.114 205 R CA 1.203 57.340 56.100 0.062 0.000 0.972 205 R CB -0.346 29.993 30.300 0.065 0.000 0.869 205 R HN 0.032 nan 8.270 nan 0.000 0.437 206 V N 0.854 120.805 119.914 0.062 0.000 2.252 206 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 206 V C 2.417 178.513 176.094 0.003 0.000 1.056 206 V CA 1.902 64.232 62.300 0.051 0.000 1.022 206 V CB -0.461 31.431 31.823 0.114 0.000 0.641 206 V HN 0.120 nan 8.190 nan 0.000 0.445 207 V N -0.802 119.098 119.914 -0.023 0.000 2.343 207 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 207 V C 2.381 178.377 176.094 -0.164 0.000 1.051 207 V CA 1.611 63.806 62.300 -0.174 0.000 1.036 207 V CB -0.591 31.047 31.823 -0.309 0.000 0.654 207 V HN 0.378 nan 8.190 nan 0.000 0.451 208 L N 0.061 121.227 121.223 -0.095 0.000 2.043 208 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 208 L C 2.591 179.407 176.870 -0.090 0.000 1.075 208 L CA 2.000 56.795 54.840 -0.075 0.000 0.752 208 L CB -1.226 40.819 42.059 -0.023 0.000 0.891 208 L HN 0.305 nan 8.230 nan 0.000 0.432 209 S N -0.899 114.750 115.700 -0.084 0.000 2.387 209 S HA -0.110 4.360 4.470 -0.000 0.000 0.226 209 S C 1.794 176.300 174.600 -0.157 0.000 1.026 209 S CA 0.867 59.003 58.200 -0.107 0.000 0.972 209 S CB -0.279 62.856 63.200 -0.108 0.000 0.814 209 S HN 0.354 nan 8.310 nan 0.000 0.477 210 L N 2.040 123.161 121.223 -0.169 0.000 2.056 210 L HA 0.017 4.356 4.340 -0.000 0.000 0.207 210 L C 2.082 178.789 176.870 -0.271 0.000 1.078 210 L CA 1.620 56.332 54.840 -0.214 0.000 0.749 210 L CB -0.877 41.072 42.059 -0.184 0.000 0.901 210 L HN 0.126 nan 8.230 nan 0.000 0.433 211 V N 0.142 119.880 119.914 -0.292 0.000 2.407 211 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 211 V C 2.718 178.599 176.094 -0.354 0.000 1.055 211 V CA 2.024 64.087 62.300 -0.394 0.000 1.049 211 V CB -1.502 30.104 31.823 -0.361 0.000 0.662 211 V HN 0.765 nan 8.190 nan 0.000 0.455 212 T N -2.239 112.204 114.554 -0.185 0.000 2.881 212 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 212 T C 1.730 176.407 174.700 -0.040 0.000 1.068 212 T CA 1.503 63.562 62.100 -0.068 0.000 1.131 212 T CB -0.374 68.478 68.868 -0.027 0.000 0.871 212 T HN 0.399 nan 8.240 nan 0.000 0.479 213 M N 0.389 119.931 119.600 -0.096 0.000 2.319 213 M HA 0.200 4.680 4.480 -0.000 0.000 0.265 213 M C 2.051 178.354 176.300 0.004 0.000 1.068 213 M CA 1.206 56.495 55.300 -0.017 0.000 1.118 213 M CB -0.415 32.057 32.600 -0.214 0.000 1.395 213 M HN 0.255 nan 8.290 nan 0.000 0.435 214 L N -1.665 119.488 121.223 -0.116 0.000 2.249 214 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 214 L C 0.843 177.758 176.870 0.074 0.000 1.090 214 L CA 0.044 54.832 54.840 -0.086 0.000 0.802 214 L CB -0.609 41.250 42.059 -0.333 0.000 0.947 214 L HN 0.201 nan 8.230 nan 0.000 0.453 215 H N 1.114 120.201 119.070 0.028 0.000 2.690 215 H HA 0.025 4.581 4.556 -0.000 0.000 0.365 215 H C 0.278 175.592 175.328 -0.025 0.000 1.142 215 H CA -0.216 55.833 56.048 0.001 0.000 1.417 215 H CB 0.551 30.308 29.762 -0.008 0.000 1.446 215 H HN 0.120 nan 8.280 nan 0.000 0.599 216 D N -0.042 120.403 120.400 0.075 0.000 3.059 216 D HA -0.224 4.416 4.640 -0.000 0.000 0.220 216 D C 0.024 176.316 176.300 -0.013 0.000 1.169 216 D CA 0.783 54.787 54.000 0.005 0.000 0.902 216 D CB -0.572 40.229 40.800 0.002 0.000 1.116 216 D HN 0.502 nan 8.370 nan 0.000 0.417 217 N N -0.000 118.703 118.700 0.004 0.000 2.469 217 N HA 0.602 5.342 4.740 -0.000 0.000 0.286 217 N C -0.753 174.757 175.510 -0.001 0.000 1.275 217 N CA 0.037 53.082 53.050 -0.009 0.000 0.790 217 N CB 1.676 40.169 38.487 0.009 0.000 1.446 217 N HN 0.116 nan 8.380 nan 0.000 0.501 218 K N 1.489 121.889 120.400 -0.001 0.000 2.616 218 K HA 0.598 4.918 4.320 -0.000 0.000 0.241 218 K C -1.185 175.429 176.600 0.023 0.000 0.961 218 K CA -0.449 55.842 56.287 0.007 0.000 0.942 218 K CB -0.034 32.464 32.500 -0.003 0.000 1.153 218 K HN 0.482 nan 8.250 nan 0.000 0.452 219 L N 1.306 122.554 121.223 0.042 0.000 2.381 219 L HA 0.496 4.836 4.340 -0.000 0.000 0.268 219 L C 1.645 178.563 176.870 0.080 0.000 0.997 219 L CA -0.790 54.082 54.840 0.054 0.000 0.818 219 L CB 2.578 44.668 42.059 0.052 0.000 1.310 219 L HN 0.735 nan 8.230 nan 0.000 0.416 220 S N 0.731 116.482 115.700 0.086 0.000 2.439 220 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 220 S C 0.491 175.196 174.600 0.176 0.000 1.029 220 S CA 0.189 58.467 58.200 0.131 0.000 0.946 220 S CB 0.167 63.448 63.200 0.135 0.000 0.797 220 S HN 0.589 nan 8.310 nan 0.000 0.504 221 K N 0.363 120.841 120.400 0.130 0.000 2.443 221 K HA 0.566 4.886 4.320 -0.000 0.000 0.252 221 K C -1.839 174.810 176.600 0.083 0.000 0.933 221 K CA -1.027 55.343 56.287 0.139 0.000 0.792 221 K CB 1.668 34.228 32.500 0.101 0.000 1.185 221 K HN 0.226 nan 8.250 nan 0.000 0.425 222 L N 2.999 124.270 121.223 0.079 0.000 2.334 222 L HA 0.592 4.932 4.340 -0.000 0.000 0.276 222 L C -0.921 175.990 176.870 0.068 0.000 1.014 222 L CA 0.201 55.060 54.840 0.031 0.000 0.815 222 L CB 1.940 43.980 42.059 -0.031 0.000 1.268 222 L HN 0.747 nan 8.230 nan 0.000 0.428 223 T N 3.672 118.256 114.554 0.050 0.000 2.861 223 T HA 0.741 5.091 4.350 -0.000 0.000 0.287 223 T C -1.270 173.445 174.700 0.025 0.000 1.003 223 T CA -0.520 61.640 62.100 0.100 0.000 0.977 223 T CB 1.271 70.256 68.868 0.194 0.000 0.996 223 T HN 0.459 nan 8.240 nan 0.000 0.448 224 V N 4.884 124.848 119.914 0.082 0.000 2.448 224 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 224 V C -0.269 175.812 176.094 -0.021 0.000 1.025 224 V CA -0.768 61.514 62.300 -0.029 0.000 0.859 224 V CB 1.796 33.643 31.823 0.040 0.000 0.988 224 V HN 0.867 nan 8.190 nan 0.000 0.431 225 V N 5.495 125.247 119.914 -0.271 0.000 2.347 225 V HA 0.424 4.544 4.120 -0.000 0.000 0.280 225 V C -0.458 175.548 176.094 -0.147 0.000 1.021 225 V CA -0.432 61.741 62.300 -0.211 0.000 0.847 225 V CB 1.174 32.590 31.823 -0.680 0.000 0.990 225 V HN 0.660 nan 8.190 nan 0.000 0.444 226 F N 3.571 123.470 119.950 -0.085 0.000 2.404 226 F HA 0.328 4.855 4.527 -0.000 0.000 0.359 226 F C 1.299 177.086 175.800 -0.021 0.000 1.134 226 F CA -0.085 57.855 58.000 -0.100 0.000 1.160 226 F CB 0.710 39.599 39.000 -0.185 0.000 1.186 226 F HN 0.546 nan 8.300 nan 0.000 0.526 227 E N 5.141 125.402 120.200 0.102 0.000 2.585 227 E HA 0.214 4.564 4.350 -0.000 0.000 0.206 227 E C -0.271 176.383 176.600 0.089 0.000 1.007 227 E CA 0.013 56.482 56.400 0.114 0.000 1.028 227 E CB 0.354 30.133 29.700 0.132 0.000 1.087 227 E HN 0.569 nan 8.360 nan 0.000 0.455 228 I N -3.313 117.323 120.570 0.111 0.000 3.002 228 I HA 0.431 4.601 4.170 -0.000 0.000 0.310 228 I C -0.427 175.768 176.117 0.130 0.000 1.087 228 I CA -1.141 60.222 61.300 0.106 0.000 1.017 228 I CB 1.948 40.004 38.000 0.094 0.000 1.226 228 I HN -0.240 nan 8.210 nan 0.000 0.443 229 N N 2.652 121.413 118.700 0.101 0.000 2.419 229 N HA 0.505 5.245 4.740 -0.000 0.000 0.264 229 N C -1.167 174.405 175.510 0.104 0.000 1.031 229 N CA -0.296 52.807 53.050 0.089 0.000 0.951 229 N CB 1.734 40.265 38.487 0.072 0.000 1.101 229 N HN 0.588 nan 8.380 nan 0.000 0.488 230 V N 0.441 120.409 119.914 0.090 0.000 2.709 230 V HA 0.419 4.539 4.120 -0.000 0.000 0.308 230 V C -0.338 175.858 176.094 0.170 0.000 1.062 230 V CA -1.160 61.209 62.300 0.116 0.000 0.901 230 V CB 1.663 33.556 31.823 0.117 0.000 1.003 230 V HN 0.609 nan 8.190 nan 0.000 0.425 231 D N 2.938 123.437 120.400 0.165 0.000 2.398 231 D HA 0.215 4.855 4.640 -0.000 0.000 0.247 231 D C 0.848 177.311 176.300 0.271 0.000 1.227 231 D CA -0.302 53.801 54.000 0.172 0.000 0.980 231 D CB 0.944 41.795 40.800 0.084 0.000 1.106 231 D HN 0.565 nan 8.370 nan 0.000 0.493 232 K N -0.718 119.777 120.400 0.159 0.000 2.063 232 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 232 K C 1.671 178.411 176.600 0.234 0.000 1.048 232 K CA 1.247 57.639 56.287 0.175 0.000 0.928 232 K CB -0.083 32.377 32.500 -0.066 0.000 0.713 232 K HN 0.343 nan 8.250 nan 0.000 0.442 233 N N 0.721 119.508 118.700 0.145 0.000 2.188 233 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 233 N C 1.657 177.281 175.510 0.190 0.000 1.018 233 N CA 0.823 53.952 53.050 0.132 0.000 0.858 233 N CB -0.133 38.396 38.487 0.071 0.000 0.989 233 N HN 0.068 nan 8.380 nan 0.000 0.426 234 L N 0.300 121.643 121.223 0.200 0.000 2.109 234 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 234 L C 1.973 179.048 176.870 0.342 0.000 1.086 234 L CA 1.019 56.007 54.840 0.245 0.000 0.760 234 L CB -0.812 41.360 42.059 0.188 0.000 0.910 234 L HN -0.011 nan 8.230 nan 0.000 0.437 235 F N 0.446 120.474 119.950 0.129 0.000 2.075 235 F HA -0.219 4.308 4.527 0.000 0.000 0.297 235 F C 2.776 178.657 175.800 0.137 0.000 1.113 235 F CA 2.066 60.073 58.000 0.011 0.000 1.218 235 F CB -0.440 38.484 39.000 -0.126 0.000 0.984 235 F HN 0.040 nan 8.300 nan 0.000 0.472 236 R N -0.615 119.941 120.500 0.094 0.000 2.083 236 R HA -0.252 4.088 4.340 -0.000 0.000 0.237 236 R C 2.466 178.751 176.300 -0.025 0.000 1.137 236 R CA 2.073 58.135 56.100 -0.065 0.000 0.951 236 R CB -0.983 29.336 30.300 0.033 0.000 0.851 236 R HN 0.439 nan 8.270 nan 0.000 0.434 237 F N 0.663 120.600 119.950 -0.021 0.000 2.126 237 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 237 F C 1.922 177.699 175.800 -0.039 0.000 1.096 237 F CA 1.697 59.697 58.000 -0.000 0.000 1.255 237 F CB -0.635 38.395 39.000 0.051 0.000 0.997 237 F HN 0.081 nan 8.300 nan 0.000 0.479 238 F N 0.442 120.355 119.950 -0.062 0.000 2.087 238 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 238 F C 1.842 177.371 175.800 -0.450 0.000 1.100 238 F CA 1.820 59.699 58.000 -0.202 0.000 1.226 238 F CB -0.717 38.293 39.000 0.017 0.000 0.983 238 F HN 0.029 nan 8.300 nan 0.000 0.479 239 L N 0.874 121.775 121.223 -0.537 0.000 1.976 239 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 239 L C 2.388 178.608 176.870 -1.083 0.000 1.071 239 L CA 2.061 56.327 54.840 -0.955 0.000 0.746 239 L CB -1.343 40.218 42.059 -0.830 0.000 0.890 239 L HN 0.220 nan 8.230 nan 0.000 0.432 240 E N -1.384 118.487 120.200 -0.548 0.000 2.070 240 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 240 E C 1.963 178.421 176.600 -0.237 0.000 1.004 240 E CA 2.079 58.362 56.400 -0.196 0.000 0.805 240 E CB -0.323 29.362 29.700 -0.026 0.000 0.744 240 E HN 0.484 nan 8.360 nan 0.000 0.451 241 T N 1.404 115.650 114.554 -0.514 0.000 2.737 241 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 241 T C 1.882 176.371 174.700 -0.352 0.000 1.038 241 T CA 1.028 62.842 62.100 -0.476 0.000 1.144 241 T CB -0.307 68.055 68.868 -0.844 0.000 0.866 241 T HN 0.059 nan 8.240 nan 0.000 0.434 242 L N 0.626 121.486 121.223 -0.604 0.000 2.012 242 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 242 L C 2.007 178.758 176.870 -0.199 0.000 1.073 242 L CA 1.882 56.396 54.840 -0.543 0.000 0.748 242 L CB -0.836 40.705 42.059 -0.863 0.000 0.891 242 L HN 0.098 nan 8.230 nan 0.000 0.431 243 F N -1.101 118.670 119.950 -0.298 0.000 2.102 243 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 243 F C 2.528 178.173 175.800 -0.259 0.000 1.105 243 F CA 1.445 59.193 58.000 -0.420 0.000 1.239 243 F CB -1.564 36.978 39.000 -0.763 0.000 0.991 243 F HN 0.208 nan 8.300 nan 0.000 0.474 244 Y N 1.148 121.535 120.300 0.146 0.000 2.200 244 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 244 Y C 2.247 178.214 175.900 0.112 0.000 1.137 244 Y CA 1.630 59.878 58.100 0.246 0.000 1.163 244 Y CB -0.250 38.332 38.460 0.204 0.000 0.988 244 Y HN -0.074 nan 8.280 nan 0.000 0.518 245 E N -1.057 119.169 120.200 0.044 0.000 2.274 245 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 245 E C 1.725 178.348 176.600 0.038 0.000 0.996 245 E CA 0.612 56.999 56.400 -0.022 0.000 0.840 245 E CB -0.491 29.199 29.700 -0.018 0.000 0.772 245 E HN 0.550 nan 8.360 nan 0.000 0.491 246 Y N 0.893 121.125 120.300 -0.114 0.000 2.206 246 Y HA 0.042 4.592 4.550 -0.000 0.000 0.292 246 Y C 1.040 177.009 175.900 0.116 0.000 1.123 246 Y CA 0.187 58.257 58.100 -0.049 0.000 1.142 246 Y CB -0.274 38.160 38.460 -0.043 0.000 1.006 246 Y HN -0.015 nan 8.280 nan 0.000 0.518 247 M N 1.353 120.945 119.600 -0.013 0.000 2.248 247 M HA 0.067 4.547 4.480 -0.000 0.000 0.343 247 M C -0.667 175.574 176.300 -0.097 0.000 1.243 247 M CA 0.971 56.151 55.300 -0.200 0.000 1.025 247 M CB 0.120 32.403 32.600 -0.527 0.000 1.759 247 M HN 0.112 nan 8.290 nan 0.000 0.452 248 T N 4.285 118.844 114.554 0.009 0.000 2.812 248 T HA 0.236 4.586 4.350 -0.000 0.000 0.282 248 T C -1.100 173.637 174.700 0.061 0.000 0.990 248 T CA -0.625 61.492 62.100 0.028 0.000 0.960 248 T CB 0.786 69.659 68.868 0.008 0.000 0.948 248 T HN 0.580 nan 8.240 nan 0.000 0.438 249 D N 2.595 123.050 120.400 0.091 0.000 2.365 249 D HA 0.119 4.759 4.640 -0.000 0.000 0.237 249 D C 0.551 176.884 176.300 0.056 0.000 1.190 249 D CA -0.134 53.943 54.000 0.128 0.000 0.867 249 D CB 0.694 41.574 40.800 0.133 0.000 1.050 249 D HN 0.525 nan 8.370 nan 0.000 0.491 250 E N 2.691 122.900 120.200 0.017 0.000 2.548 250 E HA 0.093 4.443 4.350 -0.000 0.000 0.206 250 E C 1.350 177.888 176.600 -0.104 0.000 1.005 250 E CA -0.169 56.220 56.400 -0.017 0.000 0.951 250 E CB 0.620 30.314 29.700 -0.010 0.000 1.035 250 E HN 0.393 nan 8.360 nan 0.000 0.470 251 R N -0.176 120.182 120.500 -0.236 0.000 2.159 251 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 251 R C 0.967 176.858 176.300 -0.682 0.000 1.131 251 R CA 1.220 56.992 56.100 -0.547 0.000 0.982 251 R CB -0.041 29.720 30.300 -0.898 0.000 0.868 251 R HN 0.127 nan 8.270 nan 0.000 0.453 252 F N 0.294 120.178 119.950 -0.110 0.000 2.653 252 F HA 0.210 4.737 4.527 -0.000 0.000 0.304 252 F C 0.419 176.188 175.800 -0.051 0.000 1.092 252 F CA -0.382 57.550 58.000 -0.112 0.000 1.279 252 F CB 0.430 39.335 39.000 -0.159 0.000 1.044 252 F HN -0.372 nan 8.300 nan 0.000 0.564 253 K N 0.428 120.865 120.400 0.061 0.000 2.249 253 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 253 K C 0.654 177.269 176.600 0.024 0.000 1.033 253 K CA 0.063 56.376 56.287 0.042 0.000 0.946 253 K CB 2.050 34.559 32.500 0.015 0.000 1.005 253 K HN 0.023 nan 8.250 nan 0.000 0.469 254 S N 0.468 116.186 115.700 0.031 0.000 3.627 254 S HA -0.061 4.409 4.470 -0.000 0.000 0.190 254 S C 1.372 175.982 174.600 0.015 0.000 0.880 254 S CA 0.609 58.823 58.200 0.024 0.000 0.894 254 S CB -0.218 63.005 63.200 0.039 0.000 1.095 254 S HN 0.725 nan 8.310 nan 0.000 0.655 255 T N -0.874 113.690 114.554 0.018 0.000 3.148 255 T HA 0.150 4.500 4.350 -0.000 0.000 0.253 255 T C 0.387 175.091 174.700 0.006 0.000 1.134 255 T CA 1.350 63.457 62.100 0.011 0.000 1.051 255 T CB -0.101 68.774 68.868 0.012 0.000 0.959 255 T HN 0.329 nan 8.240 nan 0.000 0.525 256 D N 0.220 120.624 120.400 0.006 0.000 2.673 256 D HA 0.234 4.874 4.640 -0.000 0.000 0.278 256 D C -0.265 176.031 176.300 -0.006 0.000 1.393 256 D CA -0.533 53.467 54.000 -0.000 0.000 0.805 256 D CB 0.231 41.033 40.800 0.004 0.000 1.110 256 D HN 0.297 nan 8.370 nan 0.000 0.476 257 K N 0.492 120.888 120.400 -0.007 0.000 2.440 257 K HA 0.074 4.394 4.320 -0.000 0.000 0.270 257 K C 0.573 177.158 176.600 -0.026 0.000 0.980 257 K CA -0.180 56.098 56.287 -0.015 0.000 0.953 257 K CB 0.403 32.895 32.500 -0.014 0.000 0.925 257 K HN 0.126 nan 8.250 nan 0.000 0.497 263 Y N 0.365 120.625 120.300 -0.067 0.000 2.393 263 Y HA 0.598 5.148 4.550 -0.000 0.000 0.341 263 Y C 1.307 177.240 175.900 0.055 0.000 0.988 263 Y CA -1.015 57.038 58.100 -0.077 0.000 1.078 263 Y CB 1.657 39.977 38.460 -0.234 0.000 1.203 263 Y HN 0.835 nan 8.280 nan 0.000 0.453 264 I N 0.800 121.566 120.570 0.327 0.000 2.993 264 I HA -0.011 4.159 4.170 -0.000 0.000 0.301 264 I C 0.526 176.727 176.117 0.140 0.000 1.229 264 I CA 0.024 61.456 61.300 0.220 0.000 1.435 264 I CB 0.742 38.865 38.000 0.205 0.000 1.328 264 I HN 0.565 nan 8.210 nan 0.000 0.584 265 K N 3.185 123.626 120.400 0.068 0.000 2.354 265 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 265 K C 0.030 176.423 176.600 -0.345 0.000 1.045 265 K CA 0.520 56.730 56.287 -0.127 0.000 1.026 265 K CB 0.120 32.533 32.500 -0.146 0.000 0.866 265 K HN 0.700 nan 8.250 nan 0.000 0.530 266 H N -0.115 118.991 119.070 0.061 0.000 2.717 266 H HA 0.361 4.917 4.556 -0.000 0.000 0.366 266 H C -1.199 174.173 175.328 0.073 0.000 1.132 266 H CA -1.045 55.040 56.048 0.060 0.000 1.180 266 H CB 2.297 32.097 29.762 0.064 0.000 1.678 266 H HN -0.154 nan 8.280 nan 0.000 0.537 267 L N 1.676 123.012 121.223 0.189 0.000 2.404 267 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 267 L C -0.313 176.645 176.870 0.148 0.000 0.980 267 L CA -0.211 54.724 54.840 0.158 0.000 0.836 267 L CB 1.545 43.700 42.059 0.160 0.000 1.238 267 L HN 0.783 nan 8.230 nan 0.000 0.408 268 G N 4.161 113.061 108.800 0.167 0.000 2.356 268 G HA2 0.617 4.577 3.960 -0.000 0.000 0.322 268 G HA3 0.617 4.577 3.960 -0.000 0.000 0.322 268 G C -1.466 173.534 174.900 0.167 0.000 1.125 268 G CA -0.456 44.749 45.100 0.175 0.000 0.885 268 G HN 0.483 nan 8.290 nan 0.000 0.467 269 V N 2.171 122.122 119.914 0.061 0.000 2.588 269 V HA 0.426 4.546 4.120 -0.000 0.000 0.304 269 V C -1.299 174.817 176.094 0.037 0.000 1.042 269 V CA -0.804 61.590 62.300 0.157 0.000 0.877 269 V CB 1.486 33.440 31.823 0.218 0.000 0.996 269 V HN 0.685 nan 8.190 nan 0.000 0.425 270 Y N 4.827 125.221 120.300 0.157 0.000 2.341 270 Y HA 0.795 5.345 4.550 -0.000 0.000 0.338 270 Y C -0.062 175.873 175.900 0.058 0.000 0.965 270 Y CA -0.509 57.664 58.100 0.120 0.000 1.108 270 Y CB 1.950 40.459 38.460 0.082 0.000 1.180 270 Y HN 0.571 nan 8.280 nan 0.000 0.458 271 I N 2.098 122.718 120.570 0.083 0.000 2.984 271 I HA 0.330 4.500 4.170 -0.000 0.000 0.303 271 I C -1.317 174.770 176.117 -0.049 0.000 1.381 271 I CA -0.865 60.377 61.300 -0.098 0.000 0.988 271 I CB 2.029 39.673 38.000 -0.593 0.000 1.307 271 I HN 0.605 nan 8.210 nan 0.000 0.460 272 N N 4.971 123.648 118.700 -0.039 0.000 2.483 272 N HA 0.195 4.935 4.740 -0.000 0.000 0.264 272 N C -0.657 174.903 175.510 0.084 0.000 1.197 272 N CA 0.205 53.275 53.050 0.033 0.000 0.927 272 N CB 0.128 38.644 38.487 0.048 0.000 1.065 272 N HN 0.541 nan 8.380 nan 0.000 0.461 273 N N 0.611 119.351 118.700 0.067 0.000 2.746 273 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 273 N C 0.520 176.074 175.510 0.072 0.000 1.055 273 N CA 0.653 53.733 53.050 0.050 0.000 0.699 273 N CB -1.350 37.150 38.487 0.020 0.000 0.919 273 N HN 0.682 nan 8.380 nan 0.000 0.548 274 A N 0.404 123.249 122.820 0.043 0.000 1.892 274 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 274 A C 1.861 179.433 177.584 -0.021 0.000 1.188 274 A CA 2.039 54.078 52.037 0.003 0.000 0.631 274 A CB -0.216 18.758 19.000 -0.044 0.000 0.822 274 A HN 0.394 nan 8.150 nan 0.000 0.447 275 D N -1.258 119.120 120.400 -0.037 0.000 2.203 275 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 275 D C 1.858 178.100 176.300 -0.096 0.000 0.997 275 D CA 1.804 55.769 54.000 -0.057 0.000 0.863 275 D CB -0.403 40.370 40.800 -0.044 0.000 0.928 275 D HN 0.435 nan 8.370 nan 0.000 0.458 276 T N -1.369 113.092 114.554 -0.156 0.000 3.023 276 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 276 T C 1.179 175.625 174.700 -0.423 0.000 1.093 276 T CA 0.497 62.423 62.100 -0.290 0.000 1.129 276 T CB 0.029 68.678 68.868 -0.366 0.000 0.899 276 T HN 0.161 nan 8.240 nan 0.000 0.491 277 Y N 0.638 120.783 120.300 -0.259 0.000 2.497 277 Y HA 0.389 4.939 4.550 -0.000 0.000 0.265 277 Y C 2.202 177.992 175.900 -0.184 0.000 1.111 277 Y CA -0.091 57.783 58.100 -0.377 0.000 1.288 277 Y CB 0.155 38.051 38.460 -0.940 0.000 1.082 277 Y HN 0.058 nan 8.280 nan 0.000 0.536 278 K N 0.632 121.025 120.400 -0.011 0.000 2.113 278 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 278 K C 2.329 178.961 176.600 0.054 0.000 1.047 278 K CA 1.727 58.026 56.287 0.022 0.000 0.928 278 K CB -0.109 32.377 32.500 -0.024 0.000 0.716 278 K HN 0.481 nan 8.250 nan 0.000 0.446 279 E N 1.592 121.804 120.200 0.020 0.000 2.153 279 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 279 E C 1.652 178.285 176.600 0.054 0.000 0.988 279 E CA 1.323 57.733 56.400 0.018 0.000 0.811 279 E CB -0.455 29.234 29.700 -0.017 0.000 0.746 279 E HN 0.300 nan 8.360 nan 0.000 0.466 280 E N 0.153 120.428 120.200 0.124 0.000 2.268 280 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 280 E C 2.275 178.957 176.600 0.135 0.000 0.995 280 E CA 0.960 57.458 56.400 0.165 0.000 0.836 280 E CB -0.221 29.717 29.700 0.396 0.000 0.763 280 E HN 0.478 nan 8.360 nan 0.000 0.491 281 V N 1.730 121.751 119.914 0.179 0.000 2.261 281 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 281 V C 2.157 178.337 176.094 0.143 0.000 1.047 281 V CA 1.697 64.091 62.300 0.157 0.000 1.015 281 V CB -0.263 31.660 31.823 0.166 0.000 0.642 281 V HN 0.145 nan 8.190 nan 0.000 0.446 282 E N -0.273 119.992 120.200 0.108 0.000 2.285 282 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 282 E C 2.079 178.743 176.600 0.108 0.000 0.997 282 E CA 0.558 57.026 56.400 0.114 0.000 0.845 282 E CB -0.144 29.606 29.700 0.083 0.000 0.782 282 E HN 0.548 nan 8.360 nan 0.000 0.491 283 K N 0.998 121.419 120.400 0.035 0.000 2.009 283 K HA -0.131 4.189 4.320 -0.000 0.000 0.210 283 K C 2.093 178.658 176.600 -0.058 0.000 1.049 283 K CA 1.402 57.643 56.287 -0.076 0.000 0.929 283 K CB -0.105 32.268 32.500 -0.211 0.000 0.714 283 K HN 0.059 nan 8.250 nan 0.000 0.440 284 A N 1.255 124.069 122.820 -0.009 0.000 1.917 284 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 284 A C 2.107 179.910 177.584 0.366 0.000 1.182 284 A CA 2.076 54.162 52.037 0.080 0.000 0.633 284 A CB -0.612 18.364 19.000 -0.041 0.000 0.819 284 A HN 0.414 nan 8.150 nan 0.000 0.448 285 R N -0.767 119.975 120.500 0.404 0.000 2.092 285 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 285 R C 1.826 178.442 176.300 0.527 0.000 1.119 285 R CA 1.596 57.980 56.100 0.472 0.000 0.970 285 R CB -0.402 30.054 30.300 0.261 0.000 0.864 285 R HN 0.272 nan 8.270 nan 0.000 0.440 286 V N -0.052 120.140 119.914 0.464 0.000 2.323 286 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 286 V C 1.845 178.332 176.094 0.655 0.000 1.041 286 V CA 1.507 64.155 62.300 0.580 0.000 1.025 286 V CB -0.664 31.392 31.823 0.389 0.000 0.656 286 V HN 0.286 nan 8.190 nan 0.000 0.451 287 Y N -0.083 120.393 120.300 0.294 0.000 2.151 287 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 287 Y C 2.511 178.544 175.900 0.222 0.000 1.166 287 Y CA 1.542 59.770 58.100 0.214 0.000 1.163 287 Y CB -1.263 37.288 38.460 0.151 0.000 0.974 287 Y HN 0.485 nan 8.280 nan 0.000 0.511 288 Y N -0.704 119.835 120.300 0.399 0.000 2.181 288 Y HA -0.294 4.256 4.550 -0.000 0.000 0.288 288 Y C 2.261 178.362 175.900 0.334 0.000 1.146 288 Y CA 1.534 59.838 58.100 0.340 0.000 1.164 288 Y CB -1.138 37.583 38.460 0.435 0.000 0.982 288 Y HN 0.056 nan 8.280 nan 0.000 0.515 289 F N 0.998 120.735 119.950 -0.354 0.000 2.206 289 F HA 0.123 4.650 4.527 -0.000 0.000 0.298 289 F C 2.394 178.023 175.800 -0.285 0.000 1.090 289 F CA 1.381 59.046 58.000 -0.558 0.000 1.323 289 F CB -0.826 38.005 39.000 -0.281 0.000 1.028 289 F HN 0.108 nan 8.300 nan 0.000 0.492 290 G N -0.978 107.771 108.800 -0.084 0.000 2.446 290 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.217 290 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.217 290 G C 1.707 176.499 174.900 -0.180 0.000 1.168 290 G CA 1.540 46.607 45.100 -0.054 0.000 0.771 290 G HN 0.437 nan 8.290 nan 0.000 0.551 291 T N -1.918 112.541 114.554 -0.159 0.000 2.942 291 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 291 T C 2.088 176.713 174.700 -0.124 0.000 1.062 291 T CA 1.324 63.318 62.100 -0.177 0.000 1.139 291 T CB -0.300 68.418 68.868 -0.250 0.000 0.883 291 T HN 0.265 nan 8.240 nan 0.000 0.468 292 Y N 0.333 120.456 120.300 -0.295 0.000 2.242 292 Y HA -0.021 4.529 4.550 -0.000 0.000 0.291 292 Y C 2.068 177.716 175.900 -0.420 0.000 1.137 292 Y CA 1.057 59.017 58.100 -0.232 0.000 1.181 292 Y CB -0.783 37.403 38.460 -0.457 0.000 0.989 292 Y HN 0.406 nan 8.280 nan 0.000 0.527 293 Y N 0.256 119.970 120.300 -0.977 0.000 2.114 293 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 293 Y C 2.505 178.078 175.900 -0.545 0.000 1.143 293 Y CA 1.860 59.382 58.100 -0.963 0.000 1.135 293 Y CB -0.986 36.839 38.460 -1.058 0.000 0.980 293 Y HN 0.114 nan 8.280 nan 0.000 0.499 294 A N -0.755 121.863 122.820 -0.336 0.000 1.892 294 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 294 A C 2.535 179.952 177.584 -0.278 0.000 1.188 294 A CA 2.376 54.256 52.037 -0.262 0.000 0.631 294 A CB -1.549 17.378 19.000 -0.122 0.000 0.822 294 A HN 0.543 nan 8.150 nan 0.000 0.447 295 S N -0.905 114.646 115.700 -0.248 0.000 2.383 295 S HA -0.216 4.254 4.470 -0.000 0.000 0.227 295 S C 2.107 176.541 174.600 -0.276 0.000 1.026 295 S CA 1.602 59.711 58.200 -0.153 0.000 0.981 295 S CB -0.411 62.828 63.200 0.066 0.000 0.818 295 S HN 0.681 nan 8.310 nan 0.000 0.472 296 Q N 0.219 119.703 119.800 -0.528 0.000 2.124 296 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 296 Q C 2.254 178.068 176.000 -0.310 0.000 0.977 296 Q CA 1.552 57.067 55.803 -0.480 0.000 0.850 296 Q CB -0.281 28.059 28.738 -0.663 0.000 0.901 296 Q HN 0.546 nan 8.270 nan 0.000 0.429 297 L N 0.009 121.000 121.223 -0.387 0.000 2.072 297 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 297 L C 2.295 179.098 176.870 -0.111 0.000 1.079 297 L CA 0.842 55.521 54.840 -0.268 0.000 0.752 297 L CB -0.402 41.447 42.059 -0.349 0.000 0.906 297 L HN 0.213 nan 8.230 nan 0.000 0.436 298 I N 0.352 120.877 120.570 -0.073 0.000 2.113 298 I HA -0.285 3.885 4.170 -0.000 0.000 0.238 298 I C 2.820 179.021 176.117 0.140 0.000 1.070 298 I CA 1.353 62.693 61.300 0.066 0.000 1.332 298 I CB -0.509 37.572 38.000 0.135 0.000 1.044 298 I HN 0.184 nan 8.210 nan 0.000 0.402 299 A N 0.898 123.801 122.820 0.139 0.000 2.024 299 A HA 0.032 4.352 4.320 -0.000 0.000 0.220 299 A C 1.588 179.188 177.584 0.025 0.000 1.164 299 A CA 0.966 53.105 52.037 0.170 0.000 0.643 299 A CB -0.870 18.215 19.000 0.141 0.000 0.806 299 A HN 0.393 nan 8.150 nan 0.000 0.451 300 A N 0.902 123.733 122.820 0.018 0.000 2.545 300 A HA 0.440 4.760 4.320 -0.000 0.000 0.253 300 A C -2.238 175.288 177.584 -0.097 0.000 1.074 300 A CA -0.820 51.201 52.037 -0.026 0.000 0.760 300 A CB -0.387 18.662 19.000 0.081 0.000 1.005 300 A HN 0.288 nan 8.150 nan 0.000 0.506 301 P HA 0.158 nan 4.420 nan 0.000 0.272 301 P C 0.952 178.266 177.300 0.023 0.000 1.240 301 P CA -0.253 62.783 63.100 -0.106 0.000 0.791 301 P CB 0.635 32.235 31.700 -0.167 0.000 0.978 302 S N 0.777 116.487 115.700 0.018 0.000 2.420 302 S HA -0.162 4.308 4.470 -0.000 0.000 0.237 302 S C 1.463 176.047 174.600 -0.027 0.000 1.023 302 S CA 1.487 59.698 58.200 0.020 0.000 0.991 302 S CB -0.977 62.231 63.200 0.014 0.000 0.792 302 S HN 0.659 nan 8.310 nan 0.000 0.488 303 N N 0.137 118.822 118.700 -0.024 0.000 2.512 303 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 303 N C 1.026 176.460 175.510 -0.127 0.000 1.073 303 N CA 0.915 53.928 53.050 -0.062 0.000 0.911 303 N CB -0.440 37.991 38.487 -0.092 0.000 0.964 303 N HN 0.494 nan 8.380 nan 0.000 0.447 304 Y N 0.148 120.418 120.300 -0.050 0.000 2.422 304 Y HA 0.254 4.804 4.550 -0.000 0.000 0.291 304 Y C 0.983 176.855 175.900 -0.047 0.000 1.144 304 Y CA 0.034 58.134 58.100 -0.000 0.000 1.208 304 Y CB 0.181 38.698 38.460 0.096 0.000 1.195 304 Y HN 0.110 nan 8.280 nan 0.000 0.535 305 C N 3.214 122.577 119.300 0.106 0.000 2.203 305 C HA 0.519 4.979 4.460 -0.000 0.000 0.325 305 C C -0.380 174.553 174.990 -0.094 0.000 1.156 305 C CA -0.683 58.340 59.018 0.007 0.000 1.597 305 C CB -2.460 25.294 27.740 0.022 0.000 2.148 305 C HN 0.592 nan 8.230 nan 0.000 0.472 306 N N 4.240 122.813 118.700 -0.212 0.000 2.831 306 N HA 0.653 5.393 4.740 -0.000 0.000 0.276 306 N C -2.625 172.726 175.510 -0.266 0.000 1.416 306 N CA -1.602 51.210 53.050 -0.396 0.000 0.799 306 N CB 0.702 38.549 38.487 -1.066 0.000 1.554 306 N HN 0.064 nan 8.380 nan 0.000 0.541 307 P HA -0.094 nan 4.420 nan 0.000 0.219 307 P C 0.927 178.216 177.300 -0.019 0.000 1.146 307 P CA 0.768 63.843 63.100 -0.042 0.000 0.808 307 P CB 0.229 31.963 31.700 0.056 0.000 0.779 308 V N 0.063 119.949 119.914 -0.047 0.000 2.379 308 V HA -0.166 3.954 4.120 -0.000 0.000 0.243 308 V C 2.546 178.635 176.094 -0.008 0.000 1.035 308 V CA 2.248 64.556 62.300 0.013 0.000 1.035 308 V CB -1.643 30.217 31.823 0.061 0.000 0.673 308 V HN 0.233 nan 8.190 nan 0.000 0.457 309 S N 0.670 116.338 115.700 -0.053 0.000 2.399 309 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 309 S C 1.943 176.537 174.600 -0.010 0.000 1.022 309 S CA 1.668 59.855 58.200 -0.023 0.000 0.983 309 S CB -0.518 62.663 63.200 -0.032 0.000 0.803 309 S HN 0.390 nan 8.310 nan 0.000 0.480 310 L N 2.710 123.915 121.223 -0.028 0.000 2.095 310 L HA 0.094 4.434 4.340 -0.000 0.000 0.204 310 L C 2.577 179.451 176.870 0.008 0.000 1.080 310 L CA 2.027 56.856 54.840 -0.019 0.000 0.759 310 L CB -1.019 41.020 42.059 -0.035 0.000 0.914 310 L HN 0.544 nan 8.230 nan 0.000 0.439 311 S N -1.028 114.683 115.700 0.018 0.000 2.406 311 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 311 S C 1.813 176.434 174.600 0.035 0.000 1.020 311 S CA 0.925 59.149 58.200 0.041 0.000 0.965 311 S CB -0.765 62.474 63.200 0.065 0.000 0.798 311 S HN 0.510 nan 8.310 nan 0.000 0.488 312 N N 2.784 121.502 118.700 0.030 0.000 2.166 312 N HA 0.073 4.813 4.740 -0.000 0.000 0.186 312 N C 1.946 177.469 175.510 0.023 0.000 1.019 312 N CA 1.526 54.589 53.050 0.022 0.000 0.856 312 N CB -0.955 37.550 38.487 0.030 0.000 0.993 312 N HN 0.627 nan 8.380 nan 0.000 0.426 313 A N 0.841 123.689 122.820 0.046 0.000 1.930 313 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 313 A C 2.352 180.004 177.584 0.114 0.000 1.175 313 A CA 1.791 53.884 52.037 0.094 0.000 0.627 313 A CB -0.806 18.243 19.000 0.081 0.000 0.815 313 A HN 0.303 nan 8.150 nan 0.000 0.443 314 A N -0.416 122.449 122.820 0.075 0.000 1.883 314 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 314 A C 2.244 179.805 177.584 -0.038 0.000 1.186 314 A CA 1.893 53.969 52.037 0.065 0.000 0.624 314 A CB -1.049 17.990 19.000 0.065 0.000 0.822 314 A HN 0.388 nan 8.150 nan 0.000 0.444 315 V N 0.024 119.857 119.914 -0.135 0.000 2.255 315 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 315 V C 2.480 178.361 176.094 -0.355 0.000 1.051 315 V CA 2.385 64.422 62.300 -0.438 0.000 1.018 315 V CB -0.870 30.721 31.823 -0.386 0.000 0.641 315 V HN 0.636 nan 8.190 nan 0.000 0.445 316 E N -0.547 119.566 120.200 -0.146 0.000 2.097 316 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 316 E C 2.141 178.713 176.600 -0.046 0.000 1.000 316 E CA 1.724 58.085 56.400 -0.066 0.000 0.804 316 E CB -0.221 29.508 29.700 0.049 0.000 0.740 316 E HN 0.446 nan 8.360 nan 0.000 0.454 317 L N 0.556 121.788 121.223 0.015 0.000 2.056 317 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 317 L C 2.210 179.058 176.870 -0.036 0.000 1.078 317 L CA 2.002 56.850 54.840 0.014 0.000 0.749 317 L CB -0.445 41.630 42.059 0.026 0.000 0.901 317 L HN 0.022 nan 8.230 nan 0.000 0.433 318 A N -1.221 121.560 122.820 -0.065 0.000 1.902 318 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 318 A C 2.212 179.809 177.584 0.021 0.000 1.181 318 A CA 1.799 53.830 52.037 -0.010 0.000 0.623 318 A CB -0.571 18.437 19.000 0.013 0.000 0.818 318 A HN 0.646 nan 8.150 nan 0.000 0.443 319 Q N -0.474 119.287 119.800 -0.065 0.000 2.079 319 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 319 Q C 1.968 177.959 176.000 -0.016 0.000 0.974 319 Q CA 1.623 57.424 55.803 -0.003 0.000 0.840 319 Q CB -0.149 28.554 28.738 -0.059 0.000 0.898 319 Q HN 0.632 nan 8.270 nan 0.000 0.430 320 K N 0.118 120.482 120.400 -0.060 0.000 2.217 320 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 320 K C 1.503 178.074 176.600 -0.048 0.000 1.051 320 K CA 0.699 56.934 56.287 -0.086 0.000 0.952 320 K CB 0.218 32.618 32.500 -0.168 0.000 0.736 320 K HN 0.173 nan 8.250 nan 0.000 0.453 321 L N 0.341 121.552 121.223 -0.020 0.000 2.640 321 L HA 0.115 4.455 4.340 -0.000 0.000 0.230 321 L C 0.013 176.899 176.870 0.028 0.000 1.123 321 L CA -0.178 54.654 54.840 -0.013 0.000 0.900 321 L CB 0.020 42.060 42.059 -0.033 0.000 1.146 321 L HN 0.224 nan 8.230 nan 0.000 0.484 322 N N 1.228 119.955 118.700 0.046 0.000 2.754 322 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 322 N C -0.409 175.160 175.510 0.098 0.000 1.093 322 N CA 0.594 53.685 53.050 0.070 0.000 0.699 322 N CB -0.967 37.548 38.487 0.046 0.000 1.016 322 N HN 0.272 nan 8.380 nan 0.000 0.552 323 L N 0.898 122.202 121.223 0.135 0.000 2.357 323 L HA 0.207 4.547 4.340 -0.000 0.000 0.273 323 L C 0.934 177.918 176.870 0.190 0.000 1.080 323 L CA -0.601 54.337 54.840 0.163 0.000 0.803 323 L CB 1.084 43.249 42.059 0.176 0.000 1.174 323 L HN -0.068 nan 8.230 nan 0.000 0.443 324 E N 1.001 121.266 120.200 0.109 0.000 2.413 324 E HA 0.181 4.531 4.350 -0.000 0.000 0.263 324 E C -1.012 175.674 176.600 0.145 0.000 1.015 324 E CA 0.056 56.474 56.400 0.031 0.000 0.916 324 E CB 0.700 30.380 29.700 -0.034 0.000 0.947 324 E HN 0.462 nan 8.360 nan 0.000 0.440 325 Y N -1.797 118.527 120.300 0.039 0.000 2.609 325 Y HA 0.758 5.308 4.550 -0.000 0.000 0.336 325 Y C -0.751 175.181 175.900 0.052 0.000 1.129 325 Y CA -1.534 56.606 58.100 0.067 0.000 1.040 325 Y CB 1.866 40.378 38.460 0.085 0.000 1.310 325 Y HN 0.474 nan 8.280 nan 0.000 0.460 326 K N 2.734 123.310 120.400 0.293 0.000 2.571 326 K HA 0.516 4.836 4.320 -0.000 0.000 0.252 326 K C -2.268 174.527 176.600 0.325 0.000 0.956 326 K CA -0.570 55.845 56.287 0.214 0.000 0.822 326 K CB 1.434 33.990 32.500 0.093 0.000 1.286 326 K HN 0.751 nan 8.250 nan 0.000 0.439 327 I N 6.056 126.802 120.570 0.293 0.000 2.328 327 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 327 I C -0.080 176.172 176.117 0.225 0.000 1.012 327 I CA -0.657 60.802 61.300 0.265 0.000 1.195 327 I CB 0.995 39.127 38.000 0.219 0.000 1.350 327 I HN 0.552 nan 8.210 nan 0.000 0.464 328 L N 5.747 127.122 121.223 0.253 0.000 2.305 328 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 328 L C 1.040 178.022 176.870 0.188 0.000 1.085 328 L CA -0.249 54.701 54.840 0.184 0.000 0.813 328 L CB 1.102 43.228 42.059 0.111 0.000 1.157 328 L HN 0.659 nan 8.230 nan 0.000 0.436 329 G N 1.849 110.728 108.800 0.132 0.000 2.568 329 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 329 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 329 G C 0.906 175.854 174.900 0.079 0.000 1.347 329 G CA -0.574 44.590 45.100 0.107 0.000 1.039 329 G HN 0.351 nan 8.290 nan 0.000 0.523 330 V N 0.520 120.462 119.914 0.047 0.000 2.295 330 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 330 V C 2.915 179.019 176.094 0.018 0.000 1.049 330 V CA 1.731 64.039 62.300 0.013 0.000 1.024 330 V CB -0.396 31.424 31.823 -0.005 0.000 0.648 330 V HN 0.535 nan 8.190 nan 0.000 0.447 331 K N 0.214 120.629 120.400 0.026 0.000 2.063 331 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 331 K C 2.069 178.687 176.600 0.029 0.000 1.048 331 K CA 1.718 58.020 56.287 0.024 0.000 0.928 331 K CB -0.322 32.193 32.500 0.025 0.000 0.713 331 K HN 0.550 nan 8.250 nan 0.000 0.442 332 E N 0.978 121.202 120.200 0.040 0.000 2.106 332 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 332 E C 2.114 178.735 176.600 0.036 0.000 0.984 332 E CA 0.603 57.028 56.400 0.041 0.000 0.806 332 E CB -0.233 29.500 29.700 0.054 0.000 0.750 332 E HN 0.170 nan 8.360 nan 0.000 0.458 333 L N 0.770 122.017 121.223 0.040 0.000 2.083 333 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 333 L C 2.232 179.121 176.870 0.031 0.000 1.083 333 L CA 1.286 56.153 54.840 0.044 0.000 0.752 333 L CB -0.366 41.732 42.059 0.065 0.000 0.899 333 L HN 0.151 nan 8.230 nan 0.000 0.433 334 E N 0.118 120.329 120.200 0.017 0.000 2.072 334 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 334 E C 2.102 178.714 176.600 0.019 0.000 0.985 334 E CA 1.114 57.522 56.400 0.013 0.000 0.801 334 E CB 0.005 29.709 29.700 0.007 0.000 0.750 334 E HN 0.498 nan 8.360 nan 0.000 0.452 335 E N 0.516 120.729 120.200 0.022 0.000 2.110 335 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 335 E C 1.732 178.346 176.600 0.024 0.000 0.988 335 E CA 0.771 57.183 56.400 0.021 0.000 0.804 335 E CB 0.027 29.740 29.700 0.022 0.000 0.745 335 E HN 0.208 nan 8.360 nan 0.000 0.458 336 L N 0.291 121.531 121.223 0.030 0.000 2.599 336 L HA 0.070 4.410 4.340 -0.000 0.000 0.230 336 L C 0.130 177.024 176.870 0.040 0.000 1.141 336 L CA 0.186 55.047 54.840 0.035 0.000 0.877 336 L CB -0.236 41.849 42.059 0.044 0.000 1.009 336 L HN 0.009 nan 8.230 nan 0.000 0.447 337 K N -0.296 120.126 120.400 0.037 0.000 3.117 337 K HA -0.188 4.132 4.320 -0.000 0.000 0.269 337 K C 0.029 176.663 176.600 0.058 0.000 1.098 337 K CA 0.576 56.888 56.287 0.041 0.000 0.785 337 K CB -1.471 31.051 32.500 0.037 0.000 1.242 337 K HN 0.310 nan 8.250 nan 0.000 0.491 338 M N 0.525 120.166 119.600 0.069 0.000 3.596 338 M HA 0.035 4.515 4.480 -0.000 0.000 0.219 338 M C 1.721 178.076 176.300 0.091 0.000 1.471 338 M CA 0.483 55.849 55.300 0.110 0.000 1.644 338 M CB 0.145 32.854 32.600 0.182 0.000 1.083 338 M HN 0.440 nan 8.290 nan 0.000 0.579 339 G N 0.534 109.375 108.800 0.067 0.000 2.422 339 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 339 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 339 G C 1.490 176.412 174.900 0.036 0.000 1.140 339 G CA 1.018 46.144 45.100 0.043 0.000 0.775 339 G HN 0.651 nan 8.290 nan 0.000 0.545 340 A N 0.119 122.975 122.820 0.061 0.000 1.854 340 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 340 A C 2.210 179.815 177.584 0.035 0.000 1.192 340 A CA 1.598 53.660 52.037 0.043 0.000 0.611 340 A CB -0.750 18.270 19.000 0.034 0.000 0.832 340 A HN 0.384 nan 8.150 nan 0.000 0.442 341 Y N 0.835 121.101 120.300 -0.055 0.000 2.128 341 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 341 Y C 1.922 177.782 175.900 -0.067 0.000 1.154 341 Y CA 1.704 59.775 58.100 -0.048 0.000 1.149 341 Y CB -0.669 37.804 38.460 0.023 0.000 0.976 341 Y HN 0.207 nan 8.280 nan 0.000 0.505 342 L N -0.971 120.129 121.223 -0.204 0.000 2.046 342 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 342 L C 2.594 179.328 176.870 -0.227 0.000 1.077 342 L CA 1.516 56.175 54.840 -0.302 0.000 0.747 342 L CB -0.813 41.142 42.059 -0.174 0.000 0.896 342 L HN 0.098 nan 8.230 nan 0.000 0.432 343 S N -0.435 115.154 115.700 -0.186 0.000 2.374 343 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 343 S C 2.019 176.304 174.600 -0.526 0.000 1.037 343 S CA 1.422 59.477 58.200 -0.241 0.000 1.024 343 S CB -0.270 62.819 63.200 -0.184 0.000 0.861 343 S HN 0.190 nan 8.310 nan 0.000 0.456 344 V N 1.001 120.543 119.914 -0.620 0.000 2.407 344 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 344 V C 2.373 178.311 176.094 -0.261 0.000 1.055 344 V CA 1.908 63.810 62.300 -0.663 0.000 1.049 344 V CB -1.117 30.513 31.823 -0.321 0.000 0.662 344 V HN 0.598 nan 8.190 nan 0.000 0.455 345 G N -1.332 107.351 108.800 -0.194 0.000 3.042 345 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.212 345 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.212 345 G C 1.456 176.323 174.900 -0.054 0.000 1.166 345 G CA -0.056 44.989 45.100 -0.093 0.000 0.767 345 G HN 0.412 nan 8.290 nan 0.000 0.546 346 K N 0.237 120.599 120.400 -0.064 0.000 2.089 346 K HA -0.114 4.206 4.320 -0.000 0.000 0.210 346 K C 2.416 179.037 176.600 0.036 0.000 1.048 346 K CA 1.293 57.575 56.287 -0.009 0.000 0.926 346 K CB -0.163 32.352 32.500 0.024 0.000 0.714 346 K HN 0.276 nan 8.250 nan 0.000 0.448 347 G N 0.073 108.919 108.800 0.077 0.000 2.920 347 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.208 347 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.208 347 G C 0.218 175.147 174.900 0.049 0.000 1.159 347 G CA -0.182 44.970 45.100 0.088 0.000 0.784 347 G HN 0.166 nan 8.290 nan 0.000 0.535 348 S N 0.142 115.865 115.700 0.039 0.000 2.586 348 S HA 0.328 4.798 4.470 -0.000 0.000 0.274 348 S C 1.736 176.294 174.600 -0.071 0.000 1.281 348 S CA -0.537 57.681 58.200 0.030 0.000 1.035 348 S CB 0.784 64.055 63.200 0.119 0.000 0.962 348 S HN 0.309 nan 8.310 nan 0.000 0.512 349 M N 2.893 122.355 119.600 -0.230 0.000 2.562 349 M HA 0.189 4.669 4.480 -0.000 0.000 0.257 349 M C -0.975 175.040 176.300 -0.475 0.000 1.099 349 M CA 0.584 55.658 55.300 -0.376 0.000 1.099 349 M CB -0.399 31.896 32.600 -0.507 0.000 1.427 349 M HN 0.533 nan 8.290 nan 0.000 0.489 350 Y N 1.455 121.759 120.300 0.007 0.000 2.330 350 Y HA 0.573 5.123 4.550 -0.000 0.000 0.336 350 Y C -2.381 173.522 175.900 0.004 0.000 1.036 350 Y CA -2.977 55.129 58.100 0.010 0.000 1.125 350 Y CB 0.286 38.758 38.460 0.019 0.000 1.194 350 Y HN -0.028 nan 8.280 nan 0.000 0.469 351 P HA 0.007 nan 4.420 nan 0.000 0.268 351 P C -0.709 176.638 177.300 0.078 0.000 1.204 351 P CA -0.159 62.985 63.100 0.074 0.000 0.768 351 P CB 0.509 32.250 31.700 0.068 0.000 0.842 352 N N 2.792 121.492 118.700 0.000 0.000 2.294 352 N HA 0.011 4.751 4.740 -0.000 0.000 0.248 352 N C -0.032 175.546 175.510 0.115 0.000 1.242 352 N CA 0.816 53.859 53.050 -0.011 0.000 0.848 352 N CB 0.035 38.322 38.487 -0.334 0.000 1.084 352 N HN 0.211 nan 8.380 nan 0.000 0.457 353 K N 1.960 122.492 120.400 0.220 0.000 2.578 353 K HA 0.250 4.570 4.320 -0.000 0.000 0.250 353 K C -1.278 175.502 176.600 0.301 0.000 0.955 353 K CA -0.504 55.922 56.287 0.232 0.000 0.825 353 K CB 1.379 33.968 32.500 0.150 0.000 1.151 353 K HN 0.402 nan 8.250 nan 0.000 0.432 354 F N 4.121 124.179 119.950 0.179 0.000 2.404 354 F HA 0.413 4.940 4.527 -0.000 0.000 0.358 354 F C 0.028 175.860 175.800 0.052 0.000 1.120 354 F CA -0.871 57.162 58.000 0.054 0.000 1.144 354 F CB 0.432 39.422 39.000 -0.018 0.000 1.133 354 F HN 0.389 nan 8.300 nan 0.000 0.495 355 I N 6.368 126.889 120.570 -0.082 0.000 2.342 355 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 355 I C -0.547 175.692 176.117 0.204 0.000 1.010 355 I CA -0.295 61.066 61.300 0.101 0.000 1.308 355 I CB 0.902 38.918 38.000 0.027 0.000 1.400 355 I HN 0.584 nan 8.210 nan 0.000 0.488 356 H N 6.927 126.171 119.070 0.290 0.000 2.970 356 H HA 0.458 5.014 4.556 -0.000 0.000 0.315 356 H C -1.521 174.033 175.328 0.377 0.000 0.992 356 H CA -0.955 55.321 56.048 0.381 0.000 1.363 356 H CB 0.913 30.956 29.762 0.468 0.000 1.532 356 H HN 0.333 nan 8.280 nan 0.000 0.514 357 L N 3.870 125.476 121.223 0.639 0.000 2.331 357 L HA 0.457 4.797 4.340 -0.000 0.000 0.275 357 L C 0.150 177.386 176.870 0.609 0.000 1.022 357 L CA -0.527 54.615 54.840 0.504 0.000 0.812 357 L CB 1.887 44.161 42.059 0.360 0.000 1.257 357 L HN 0.641 nan 8.230 nan 0.000 0.435 358 T N 1.470 116.255 114.554 0.385 0.000 2.848 358 T HA 0.407 4.757 4.350 -0.000 0.000 0.285 358 T C -1.366 173.493 174.700 0.265 0.000 0.995 358 T CA -0.358 61.890 62.100 0.246 0.000 0.970 358 T CB 1.214 70.112 68.868 0.050 0.000 0.976 358 T HN 0.325 nan 8.240 nan 0.000 0.441 359 Y N 2.781 123.192 120.300 0.185 0.000 2.335 359 Y HA 0.623 5.173 4.550 -0.000 0.000 0.338 359 Y C -0.283 175.632 175.900 0.026 0.000 0.977 359 Y CA -0.871 57.313 58.100 0.139 0.000 1.114 359 Y CB 0.958 39.568 38.460 0.250 0.000 1.182 359 Y HN 0.485 nan 8.280 nan 0.000 0.463 360 K N 4.426 124.426 120.400 -0.667 0.000 2.292 360 K HA 0.492 4.812 4.320 -0.000 0.000 0.257 360 K C -0.710 175.410 176.600 -0.801 0.000 0.940 360 K CA -0.619 55.341 56.287 -0.544 0.000 0.811 360 K CB 1.199 33.538 32.500 -0.268 0.000 1.120 360 K HN 0.782 nan 8.250 nan 0.000 0.428 361 S N 2.642 118.049 115.700 -0.487 0.000 2.573 361 S HA 0.082 4.552 4.470 -0.000 0.000 0.277 361 S C -0.307 174.196 174.600 -0.161 0.000 1.346 361 S CA -0.319 57.739 58.200 -0.237 0.000 1.034 361 S CB 0.574 63.762 63.200 -0.020 0.000 0.879 361 S HN 0.449 nan 8.310 nan 0.000 0.528 362 K N 1.342 121.684 120.400 -0.097 0.000 2.295 362 K HA 0.526 4.846 4.320 -0.000 0.000 0.270 362 K C 1.023 177.603 176.600 -0.034 0.000 1.011 362 K CA 0.583 56.835 56.287 -0.059 0.000 0.953 362 K CB 0.261 32.740 32.500 -0.036 0.000 0.956 362 K HN 0.872 nan 8.250 nan 0.000 0.477 363 G N 0.268 109.050 108.800 -0.029 0.000 2.527 363 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.227 363 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.227 363 G C -0.634 174.254 174.900 -0.019 0.000 1.291 363 G CA -0.434 44.655 45.100 -0.018 0.000 0.904 363 G HN 0.872 nan 8.290 nan 0.000 0.577 364 D N -0.614 119.780 120.400 -0.011 0.000 2.348 364 D HA 0.579 5.219 4.640 -0.000 0.000 0.253 364 D C 0.486 176.781 176.300 -0.008 0.000 1.161 364 D CA 0.424 54.418 54.000 -0.010 0.000 0.876 364 D CB 1.479 42.275 40.800 -0.007 0.000 1.160 364 D HN 1.199 nan 8.370 nan 0.000 0.459 365 V N 3.399 123.306 119.914 -0.011 0.000 2.372 365 V HA 0.176 4.296 4.120 -0.000 0.000 0.261 365 V C 1.262 177.353 176.094 -0.004 0.000 1.055 365 V CA -0.095 62.202 62.300 -0.006 0.000 0.930 365 V CB 0.726 32.543 31.823 -0.009 0.000 1.031 365 V HN 0.718 nan 8.190 nan 0.000 0.479 366 K N 2.990 123.390 120.400 0.000 0.000 2.168 366 K HA 0.212 4.532 4.320 -0.000 0.000 0.201 366 K C 0.367 176.960 176.600 -0.012 0.000 1.049 366 K CA 0.427 56.711 56.287 -0.005 0.000 0.974 366 K CB 0.293 32.793 32.500 -0.000 0.000 0.792 366 K HN 0.326 nan 8.250 nan 0.000 0.463 367 K N 1.877 122.276 120.400 -0.002 0.000 2.292 367 K HA 0.317 4.637 4.320 -0.000 0.000 0.257 367 K C -0.900 175.706 176.600 0.010 0.000 0.940 367 K CA -0.339 55.942 56.287 -0.011 0.000 0.811 367 K CB 2.049 34.568 32.500 0.032 0.000 1.120 367 K HN -0.061 nan 8.250 nan 0.000 0.428 368 K N 3.095 123.492 120.400 -0.006 0.000 2.235 368 K HA 0.531 4.851 4.320 -0.000 0.000 0.266 368 K C -0.237 176.417 176.600 0.089 0.000 0.980 368 K CA -0.448 55.873 56.287 0.056 0.000 0.849 368 K CB 1.202 33.741 32.500 0.066 0.000 1.098 368 K HN 0.430 nan 8.250 nan 0.000 0.445 369 I N 2.038 122.701 120.570 0.156 0.000 2.498 369 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 369 I C -0.527 175.707 176.117 0.196 0.000 1.032 369 I CA -0.949 60.482 61.300 0.218 0.000 1.073 369 I CB 2.095 40.248 38.000 0.255 0.000 1.251 369 I HN 0.588 nan 8.210 nan 0.000 0.426 370 A N 7.673 130.613 122.820 0.200 0.000 2.276 370 A HA 0.793 5.113 4.320 -0.000 0.000 0.316 370 A C -0.722 176.941 177.584 0.132 0.000 1.229 370 A CA -0.425 51.710 52.037 0.162 0.000 0.851 370 A CB 0.526 19.613 19.000 0.144 0.000 1.165 370 A HN 0.697 nan 8.150 nan 0.000 0.513 371 L N 3.538 124.795 121.223 0.057 0.000 2.287 371 L HA 0.502 4.842 4.340 -0.000 0.000 0.287 371 L C -0.876 176.046 176.870 0.087 0.000 1.022 371 L CA -0.774 54.104 54.840 0.063 0.000 0.814 371 L CB 1.621 43.694 42.059 0.022 0.000 1.217 371 L HN 0.416 nan 8.230 nan 0.000 0.420 372 V N 2.055 122.027 119.914 0.096 0.000 2.448 372 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 372 V C 0.432 176.557 176.094 0.053 0.000 1.025 372 V CA -0.510 61.830 62.300 0.067 0.000 0.859 372 V CB 1.640 33.524 31.823 0.102 0.000 0.988 372 V HN 0.853 nan 8.190 nan 0.000 0.431 373 G N 2.870 111.671 108.800 0.002 0.000 2.470 373 G HA2 0.516 4.476 3.960 -0.000 0.000 0.320 373 G HA3 0.516 4.476 3.960 -0.000 0.000 0.320 373 G C -0.696 174.172 174.900 -0.053 0.000 1.245 373 G CA -0.764 44.334 45.100 -0.003 0.000 0.935 373 G HN 0.695 nan 8.290 nan 0.000 0.476 374 K N 1.357 121.737 120.400 -0.033 0.000 2.416 374 K HA 0.359 4.679 4.320 -0.000 0.000 0.283 374 K C 0.634 177.187 176.600 -0.079 0.000 1.037 374 K CA -0.021 56.232 56.287 -0.057 0.000 0.995 374 K CB 0.449 32.929 32.500 -0.034 0.000 0.938 374 K HN 0.448 nan 8.250 nan 0.000 0.475 375 G N 6.159 114.906 108.800 -0.088 0.000 4.928 375 G HA2 0.265 4.225 3.960 -0.000 0.000 0.321 375 G HA3 0.265 4.225 3.960 -0.000 0.000 0.321 375 G C -0.565 174.318 174.900 -0.028 0.000 1.455 375 G CA -0.498 44.561 45.100 -0.069 0.000 1.081 375 G HN 0.469 nan 8.290 nan 0.000 0.569 376 I N 2.503 123.053 120.570 -0.034 0.000 2.312 376 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 376 I C 1.762 177.882 176.117 0.006 0.000 1.031 376 I CA -0.382 60.915 61.300 -0.004 0.000 1.293 376 I CB 0.688 38.671 38.000 -0.027 0.000 1.403 376 I HN 0.325 nan 8.210 nan 0.000 0.484 377 T N 3.089 117.673 114.554 0.049 0.000 3.043 377 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 377 T C 0.251 175.061 174.700 0.183 0.000 1.094 377 T CA 0.522 62.664 62.100 0.069 0.000 1.127 377 T CB 0.063 68.947 68.868 0.027 0.000 0.905 377 T HN 0.295 nan 8.240 nan 0.000 0.490 378 F N 0.917 120.881 119.950 0.023 0.000 2.596 378 F HA 0.549 5.076 4.527 -0.000 0.000 0.311 378 F C -2.179 173.649 175.800 0.046 0.000 1.116 378 F CA -1.608 56.412 58.000 0.033 0.000 0.957 378 F CB 2.124 41.144 39.000 0.033 0.000 1.250 378 F HN -0.160 nan 8.300 nan 0.000 0.444 379 D N 2.482 122.357 120.400 -0.875 0.000 2.472 379 D HA 0.226 4.866 4.640 -0.000 0.000 0.234 379 D C 0.554 176.436 176.300 -0.697 0.000 1.088 379 D CA 0.110 53.783 54.000 -0.546 0.000 0.882 379 D CB 1.380 42.013 40.800 -0.278 0.000 1.037 379 D HN 0.502 nan 8.370 nan 0.000 0.520 380 S N 1.945 117.464 115.700 -0.303 0.000 2.496 380 S HA 0.200 4.670 4.470 -0.000 0.000 0.224 380 S C 1.697 176.270 174.600 -0.046 0.000 0.996 380 S CA 0.558 58.731 58.200 -0.045 0.000 0.927 380 S CB 0.203 63.528 63.200 0.209 0.000 0.774 380 S HN 0.701 nan 8.310 nan 0.000 0.524 381 G N 0.557 109.330 108.800 -0.044 0.000 2.213 381 G HA2 0.174 4.134 3.960 -0.000 0.000 0.226 381 G HA3 0.174 4.134 3.960 -0.000 0.000 0.226 381 G C 1.140 176.058 174.900 0.031 0.000 0.992 381 G CA 0.259 45.354 45.100 -0.008 0.000 0.632 381 G HN 1.739 nan 8.290 nan 0.000 0.511 382 G N -0.585 108.239 108.800 0.040 0.000 2.552 382 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.265 382 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.265 382 G C 0.589 175.460 174.900 -0.048 0.000 1.234 382 G CA 0.676 45.803 45.100 0.044 0.000 0.944 382 G HN 1.057 nan 8.290 nan 0.000 0.568 383 Y N 1.159 121.437 120.300 -0.037 0.000 2.315 383 Y HA -0.079 4.471 4.550 -0.000 0.000 0.288 383 Y C 2.372 178.241 175.900 -0.051 0.000 1.154 383 Y CA 1.992 60.061 58.100 -0.051 0.000 1.229 383 Y CB -0.207 38.204 38.460 -0.082 0.000 0.980 383 Y HN 0.411 nan 8.280 nan 0.000 0.540 384 N N 1.088 119.823 118.700 0.057 0.000 3.243 384 N HA 0.129 4.868 4.740 -0.000 0.000 0.310 384 N C -0.758 174.752 175.510 -0.000 0.000 1.313 384 N CA -0.247 52.812 53.050 0.015 0.000 1.204 384 N CB -0.185 38.298 38.487 -0.008 0.000 1.483 384 N HN 0.089 nan 8.380 nan 0.000 0.553 385 L N 0.786 122.003 121.223 -0.010 0.000 2.543 385 L HA -0.057 4.283 4.340 -0.000 0.000 0.285 385 L C 0.246 177.110 176.870 -0.010 0.000 1.236 385 L CA 0.455 55.283 54.840 -0.020 0.000 0.871 385 L CB 0.432 42.469 42.059 -0.036 0.000 1.121 385 L HN 0.250 nan 8.230 nan 0.000 0.501 386 K N 5.108 125.503 120.400 -0.009 0.000 2.110 386 K HA 0.235 4.555 4.320 -0.000 0.000 0.260 386 K C 0.439 177.038 176.600 -0.001 0.000 1.126 386 K CA 0.530 56.812 56.287 -0.009 0.000 1.005 386 K CB 0.149 32.636 32.500 -0.022 0.000 1.336 386 K HN 0.771 nan 8.250 nan 0.000 0.369 387 A N 1.863 124.681 122.820 -0.003 0.000 2.211 387 A HA 0.279 4.599 4.320 -0.000 0.000 0.208 387 A C 0.850 178.432 177.584 -0.004 0.000 1.250 387 A CA -0.028 52.007 52.037 -0.002 0.000 0.935 387 A CB 0.431 19.428 19.000 -0.004 0.000 0.982 387 A HN 0.582 nan 8.150 nan 0.000 0.490 388 A N 1.425 124.242 122.820 -0.004 0.000 2.483 388 A HA 0.517 4.837 4.320 -0.000 0.000 0.238 388 A C -2.372 175.210 177.584 -0.004 0.000 1.070 388 A CA -0.896 51.138 52.037 -0.005 0.000 0.770 388 A CB -0.662 18.334 19.000 -0.006 0.000 1.008 388 A HN 0.230 nan 8.150 nan 0.000 0.497 389 P HA 0.270 nan 4.420 nan 0.000 0.264 389 P C 0.981 178.281 177.300 -0.001 0.000 1.183 389 P CA 1.625 64.722 63.100 -0.004 0.000 0.763 389 P CB 0.530 32.227 31.700 -0.004 0.000 0.807 390 G N 2.350 111.146 108.800 -0.007 0.000 2.176 390 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.253 390 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.253 390 G C 1.102 175.999 174.900 -0.005 0.000 0.979 390 G CA 0.485 45.580 45.100 -0.008 0.000 0.641 390 G HN 0.644 nan 8.290 nan 0.000 0.530 391 S N 0.021 115.718 115.700 -0.004 0.000 2.561 391 S HA 0.250 4.720 4.470 -0.000 0.000 0.225 391 S C 1.579 176.164 174.600 -0.025 0.000 0.977 391 S CA 1.108 59.306 58.200 -0.003 0.000 0.926 391 S CB -0.507 62.691 63.200 -0.002 0.000 0.769 391 S HN 1.277 nan 8.310 nan 0.000 0.533 392 M N 0.147 119.723 119.600 -0.040 0.000 2.206 392 M HA -0.198 4.282 4.480 -0.000 0.000 0.197 392 M C 0.773 177.020 176.300 -0.089 0.000 0.375 392 M CA 0.406 55.661 55.300 -0.075 0.000 0.410 392 M CB -1.834 30.702 32.600 -0.107 0.000 1.204 392 M HN 0.505 nan 8.290 nan 0.000 0.932 393 I N 1.771 122.318 120.570 -0.039 0.000 2.315 393 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 393 I C 2.122 178.273 176.117 0.055 0.000 1.125 393 I CA 2.502 63.800 61.300 -0.003 0.000 1.392 393 I CB -0.058 37.979 38.000 0.062 0.000 1.065 393 I HN 0.596 nan 8.210 nan 0.000 0.424 394 D N 0.381 120.786 120.400 0.009 0.000 2.378 394 D HA -0.206 4.434 4.640 -0.000 0.000 0.222 394 D C 1.881 178.111 176.300 -0.118 0.000 0.980 394 D CA 0.678 54.675 54.000 -0.006 0.000 0.907 394 D CB -0.112 40.659 40.800 -0.049 0.000 0.899 394 D HN 0.412 nan 8.370 nan 0.000 0.527 395 L N -0.256 120.825 121.223 -0.236 0.000 2.616 395 L HA 0.143 4.483 4.340 -0.000 0.000 0.229 395 L C 1.817 178.485 176.870 -0.337 0.000 1.110 395 L CA 0.073 54.593 54.840 -0.534 0.000 0.884 395 L CB 0.087 41.685 42.059 -0.769 0.000 1.115 395 L HN -0.217 nan 8.230 nan 0.000 0.481 396 M N 0.030 119.566 119.600 -0.106 0.000 2.686 396 M HA -0.089 4.391 4.480 -0.000 0.000 0.246 396 M C 1.844 178.170 176.300 0.043 0.000 1.096 396 M CA 0.788 56.036 55.300 -0.085 0.000 1.076 396 M CB -0.877 31.392 32.600 -0.551 0.000 1.504 396 M HN 0.355 nan 8.290 nan 0.000 0.524 397 K N 0.568 121.090 120.400 0.203 0.000 2.286 397 K HA -0.182 4.138 4.320 -0.000 0.000 0.203 397 K C 1.589 178.297 176.600 0.181 0.000 1.045 397 K CA 1.457 57.870 56.287 0.210 0.000 0.935 397 K CB -1.068 31.502 32.500 0.116 0.000 0.737 397 K HN 0.506 nan 8.250 nan 0.000 0.460 398 F N 0.591 120.491 119.950 -0.083 0.000 2.811 398 F HA 0.181 4.708 4.527 -0.000 0.000 0.301 398 F C 0.985 176.774 175.800 -0.018 0.000 1.151 398 F CA -0.336 57.646 58.000 -0.030 0.000 1.412 398 F CB 0.078 39.052 39.000 -0.044 0.000 1.113 398 F HN -0.136 nan 8.300 nan 0.000 0.579 399 D N 1.902 122.229 120.400 -0.121 0.000 2.363 399 D HA -0.053 4.587 4.640 -0.000 0.000 0.226 399 D C 1.334 177.509 176.300 -0.208 0.000 1.020 399 D CA 0.733 54.544 54.000 -0.315 0.000 0.892 399 D CB -0.020 40.691 40.800 -0.148 0.000 0.900 399 D HN 0.475 nan 8.370 nan 0.000 0.531 400 M N -2.170 117.353 119.600 -0.129 0.000 2.560 400 M HA 0.399 4.879 4.480 -0.000 0.000 0.297 400 M C 1.344 177.589 176.300 -0.092 0.000 1.201 400 M CA -0.200 55.045 55.300 -0.091 0.000 0.973 400 M CB 0.250 32.823 32.600 -0.046 0.000 1.401 400 M HN -0.325 nan 8.290 nan 0.000 0.497 401 S N 1.340 116.954 115.700 -0.144 0.000 2.399 401 S HA -0.012 4.458 4.470 -0.000 0.000 0.231 401 S C 1.955 176.525 174.600 -0.050 0.000 1.022 401 S CA 1.580 59.728 58.200 -0.086 0.000 0.983 401 S CB -0.653 62.466 63.200 -0.134 0.000 0.803 401 S HN 0.794 nan 8.310 nan 0.000 0.480 402 G N 0.112 108.871 108.800 -0.068 0.000 2.404 402 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 402 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 402 G C 1.746 176.642 174.900 -0.006 0.000 1.174 402 G CA 0.983 46.071 45.100 -0.021 0.000 0.780 402 G HN 0.600 nan 8.290 nan 0.000 0.537 403 C N 1.126 120.407 119.300 -0.031 0.000 2.413 403 C HA 0.160 4.620 4.460 -0.000 0.000 0.277 403 C C 3.401 178.391 174.990 0.000 0.000 1.265 403 C CA 1.653 60.657 59.018 -0.023 0.000 1.752 403 C CB -1.081 26.628 27.740 -0.051 0.000 1.998 403 C HN 0.522 nan 8.230 nan 0.000 0.489 404 A N 0.466 123.272 122.820 -0.023 0.000 1.873 404 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 404 A C 2.537 180.121 177.584 0.001 0.000 1.186 404 A CA 2.220 54.231 52.037 -0.042 0.000 0.616 404 A CB -1.277 17.677 19.000 -0.078 0.000 0.823 404 A HN 0.878 nan 8.150 nan 0.000 0.442 405 A N -0.475 122.353 122.820 0.013 0.000 1.883 405 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 405 A C 2.249 179.875 177.584 0.071 0.000 1.186 405 A CA 2.014 54.068 52.037 0.029 0.000 0.624 405 A CB -1.084 17.941 19.000 0.042 0.000 0.822 405 A HN 0.430 nan 8.150 nan 0.000 0.444 406 V N -0.373 119.602 119.914 0.101 0.000 2.343 406 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 406 V C 2.516 178.729 176.094 0.198 0.000 1.051 406 V CA 1.864 64.283 62.300 0.198 0.000 1.036 406 V CB -0.728 31.209 31.823 0.190 0.000 0.654 406 V HN 0.475 nan 8.190 nan 0.000 0.451 407 L N 0.916 122.217 121.223 0.131 0.000 2.056 407 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 407 L C 2.585 179.540 176.870 0.142 0.000 1.078 407 L CA 2.295 57.212 54.840 0.129 0.000 0.749 407 L CB -1.815 40.374 42.059 0.216 0.000 0.901 407 L HN 0.358 nan 8.230 nan 0.000 0.433 408 G N -1.813 107.094 108.800 0.178 0.000 2.422 408 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 408 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 408 G C 1.927 176.874 174.900 0.080 0.000 1.146 408 G CA 0.944 46.131 45.100 0.145 0.000 0.769 408 G HN 0.498 nan 8.290 nan 0.000 0.547 409 C N 0.983 120.319 119.300 0.061 0.000 2.413 409 C HA 0.092 4.552 4.460 -0.000 0.000 0.276 409 C C 3.443 178.426 174.990 -0.012 0.000 1.248 409 C CA 1.712 60.774 59.018 0.074 0.000 1.742 409 C CB -1.067 26.801 27.740 0.213 0.000 2.017 409 C HN 0.547 nan 8.230 nan 0.000 0.481 410 A N -1.265 121.399 122.820 -0.261 0.000 1.933 410 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 410 A C 2.025 179.396 177.584 -0.356 0.000 1.175 410 A CA 1.848 53.407 52.037 -0.796 0.000 0.628 410 A CB -1.160 17.249 19.000 -0.985 0.000 0.814 410 A HN 0.826 nan 8.150 nan 0.000 0.444 411 Y N 0.197 120.344 120.300 -0.256 0.000 2.145 411 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 411 Y C 2.539 178.396 175.900 -0.072 0.000 1.145 411 Y CA 1.776 59.778 58.100 -0.163 0.000 1.148 411 Y CB -0.806 37.554 38.460 -0.167 0.000 0.981 411 Y HN 0.366 nan 8.280 nan 0.000 0.507 412 C N -0.979 118.232 119.300 -0.149 0.000 2.446 412 C HA -0.109 4.351 4.460 -0.000 0.000 0.277 412 C C 2.815 177.690 174.990 -0.192 0.000 1.275 412 C CA 1.006 59.944 59.018 -0.134 0.000 1.727 412 C CB -1.157 26.576 27.740 -0.012 0.000 2.010 412 C HN 0.503 nan 8.230 nan 0.000 0.486 413 V N 1.331 121.134 119.914 -0.186 0.000 2.358 413 V HA -0.071 4.048 4.120 -0.000 0.000 0.246 413 V C 2.655 178.461 176.094 -0.479 0.000 1.047 413 V CA 2.392 64.523 62.300 -0.280 0.000 1.035 413 V CB -1.429 30.321 31.823 -0.122 0.000 0.658 413 V HN 0.646 nan 8.190 nan 0.000 0.452 414 G N -0.853 107.725 108.800 -0.370 0.000 2.443 414 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 414 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 414 G C 1.655 176.414 174.900 -0.235 0.000 1.131 414 G CA 1.456 46.413 45.100 -0.239 0.000 0.775 414 G HN 0.486 nan 8.290 nan 0.000 0.547 415 T N 0.804 115.136 114.554 -0.369 0.000 2.894 415 T HA 0.110 4.460 4.350 -0.000 0.000 0.258 415 T C 2.295 176.893 174.700 -0.171 0.000 1.043 415 T CA 0.399 62.307 62.100 -0.321 0.000 1.141 415 T CB -0.052 68.486 68.868 -0.550 0.000 0.873 415 T HN 0.137 nan 8.240 nan 0.000 0.449 416 L N 0.266 121.394 121.223 -0.159 0.000 2.446 416 L HA 0.230 4.570 4.340 -0.000 0.000 0.219 416 L C 0.384 177.215 176.870 -0.065 0.000 1.116 416 L CA 0.251 55.047 54.840 -0.073 0.000 0.844 416 L CB -0.322 41.725 42.059 -0.021 0.000 0.970 416 L HN 0.169 nan 8.230 nan 0.000 0.457 417 K N 0.216 120.538 120.400 -0.130 0.000 3.653 417 K HA -0.137 4.183 4.320 -0.000 0.000 0.275 417 K C -2.240 174.404 176.600 0.073 0.000 0.962 417 K CA -0.222 56.069 56.287 0.007 0.000 0.773 417 K CB -1.478 31.090 32.500 0.114 0.000 1.463 417 K HN 0.245 nan 8.250 nan 0.000 0.450 418 P HA 0.068 nan 4.420 nan 0.000 0.272 418 P C -0.149 177.260 177.300 0.181 0.000 1.240 418 P CA 0.068 63.206 63.100 0.062 0.000 0.791 418 P CB 0.780 32.484 31.700 0.007 0.000 0.978 419 E N 0.504 120.769 120.200 0.109 0.000 2.250 419 E HA 0.157 4.507 4.350 -0.000 0.000 0.265 419 E C 0.116 176.762 176.600 0.076 0.000 1.033 419 E CA -0.680 55.775 56.400 0.092 0.000 0.888 419 E CB 0.364 30.093 29.700 0.049 0.000 1.151 419 E HN 0.368 nan 8.360 nan 0.000 0.412 420 N N -0.770 117.960 118.700 0.051 0.000 2.714 420 N HA -0.176 4.564 4.740 -0.000 0.000 0.250 420 N C -0.596 174.938 175.510 0.041 0.000 1.117 420 N CA 1.249 54.318 53.050 0.031 0.000 0.719 420 N CB -1.882 36.616 38.487 0.019 0.000 1.081 420 N HN 0.324 nan 8.380 nan 0.000 0.557 421 V N -3.481 116.481 119.914 0.079 0.000 2.962 421 V HA 0.760 4.880 4.120 -0.000 0.000 0.313 421 V C -0.194 175.953 176.094 0.089 0.000 1.099 421 V CA -0.937 61.418 62.300 0.091 0.000 0.971 421 V CB 3.061 34.953 31.823 0.114 0.000 1.028 421 V HN 0.153 nan 8.190 nan 0.000 0.430 422 E N 3.120 123.356 120.200 0.060 0.000 2.224 422 E HA 0.625 4.975 4.350 -0.000 0.000 0.265 422 E C -1.677 174.928 176.600 0.008 0.000 0.878 422 E CA -0.819 55.588 56.400 0.010 0.000 0.759 422 E CB 1.805 31.497 29.700 -0.014 0.000 1.164 422 E HN 0.767 nan 8.360 nan 0.000 0.414 423 I N 4.208 124.766 120.570 -0.020 0.000 2.465 423 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 423 I C -0.358 175.546 176.117 -0.356 0.000 1.014 423 I CA -0.698 60.509 61.300 -0.154 0.000 1.093 423 I CB 1.381 39.259 38.000 -0.203 0.000 1.267 423 I HN 0.601 nan 8.210 nan 0.000 0.431 424 H N 6.011 125.004 119.070 -0.129 0.000 2.488 424 H HA 0.415 4.971 4.556 -0.000 0.000 0.322 424 H C -1.117 174.079 175.328 -0.220 0.000 1.078 424 H CA -0.260 55.793 56.048 0.008 0.000 1.260 424 H CB 1.466 31.302 29.762 0.123 0.000 1.425 424 H HN 0.301 nan 8.280 nan 0.000 0.471 425 F N 3.752 123.891 119.950 0.315 0.000 2.361 425 F HA 0.347 4.874 4.527 -0.000 0.000 0.364 425 F C 0.073 175.974 175.800 0.169 0.000 1.117 425 F CA -0.537 57.589 58.000 0.210 0.000 1.071 425 F CB 0.961 40.068 39.000 0.179 0.000 1.188 425 F HN 0.159 nan 8.300 nan 0.000 0.464 426 L N 2.620 123.946 121.223 0.172 0.000 2.386 426 L HA 0.696 5.036 4.340 -0.000 0.000 0.271 426 L C -0.355 176.377 176.870 -0.230 0.000 0.993 426 L CA -0.648 54.165 54.840 -0.045 0.000 0.819 426 L CB 2.332 44.381 42.059 -0.017 0.000 1.294 426 L HN 0.548 nan 8.230 nan 0.000 0.414 427 S N 1.394 116.767 115.700 -0.544 0.000 2.566 427 S HA 0.710 5.180 4.470 -0.000 0.000 0.273 427 S C -0.941 173.063 174.600 -0.994 0.000 1.157 427 S CA -0.424 57.442 58.200 -0.556 0.000 0.938 427 S CB 1.750 64.794 63.200 -0.260 0.000 1.087 427 S HN 0.654 nan 8.310 nan 0.000 0.474 428 A N 4.378 126.654 122.820 -0.907 0.000 2.621 428 A HA 0.619 4.939 4.320 -0.000 0.000 0.329 428 A C -0.292 177.049 177.584 -0.405 0.000 1.458 428 A CA -0.400 51.013 52.037 -1.040 0.000 1.052 428 A CB -0.166 18.010 19.000 -1.373 0.000 1.142 428 A HN 0.704 nan 8.150 nan 0.000 0.523 429 V N 2.173 122.047 119.914 -0.066 0.000 2.509 429 V HA 0.537 4.657 4.120 -0.000 0.000 0.284 429 V C 0.552 176.797 176.094 0.251 0.000 1.047 429 V CA -0.032 62.311 62.300 0.070 0.000 0.952 429 V CB 0.152 31.988 31.823 0.023 0.000 0.988 429 V HN 1.286 nan 8.190 nan 0.000 0.469 430 C N 2.240 121.645 119.300 0.176 0.000 3.211 430 C HA 0.702 5.162 4.460 -0.000 0.000 0.350 430 C C -1.045 174.015 174.990 0.117 0.000 1.413 430 C CA -0.913 58.197 59.018 0.153 0.000 1.203 430 C CB 1.501 29.332 27.740 0.151 0.000 1.506 430 C HN 0.863 nan 8.230 nan 0.000 0.448 431 E N 0.689 120.967 120.200 0.130 0.000 2.222 431 E HA 0.455 4.805 4.350 -0.000 0.000 0.267 431 E C -1.432 175.253 176.600 0.141 0.000 0.884 431 E CA -0.337 56.162 56.400 0.164 0.000 0.764 431 E CB 1.551 31.403 29.700 0.253 0.000 1.169 431 E HN 0.616 nan 8.360 nan 0.000 0.413 432 N N 4.749 123.533 118.700 0.141 0.000 2.678 432 N HA 0.207 4.947 4.740 -0.000 0.000 0.231 432 N C -1.132 174.476 175.510 0.164 0.000 1.038 432 N CA -0.101 53.028 53.050 0.131 0.000 0.932 432 N CB 0.287 38.827 38.487 0.089 0.000 1.176 432 N HN 0.417 nan 8.380 nan 0.000 0.511 433 M N 1.101 120.797 119.600 0.160 0.000 2.777 433 M HA 0.481 4.960 4.480 -0.000 0.000 0.307 433 M C -0.498 175.840 176.300 0.063 0.000 1.228 433 M CA -1.066 54.313 55.300 0.132 0.000 0.871 433 M CB 1.674 34.345 32.600 0.118 0.000 1.721 433 M HN -0.099 nan 8.290 nan 0.000 0.487 434 V N 0.732 120.630 119.914 -0.026 0.000 2.398 434 V HA 0.698 4.818 4.120 -0.000 0.000 0.286 434 V C -0.070 175.966 176.094 -0.097 0.000 1.026 434 V CA -0.184 61.999 62.300 -0.195 0.000 0.868 434 V CB 1.404 33.004 31.823 -0.372 0.000 0.982 434 V HN 0.967 nan 8.190 nan 0.000 0.443 435 S N 3.141 118.839 115.700 -0.004 0.000 2.611 435 S HA 0.347 4.817 4.470 -0.000 0.000 0.268 435 S C 0.655 175.364 174.600 0.181 0.000 1.156 435 S CA -0.215 58.024 58.200 0.066 0.000 0.817 435 S CB 1.752 64.988 63.200 0.060 0.000 1.122 435 S HN 0.833 nan 8.310 nan 0.000 0.466 436 K N 1.462 121.936 120.400 0.122 0.000 2.209 436 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 436 K C 0.924 177.586 176.600 0.104 0.000 1.048 436 K CA 1.969 58.326 56.287 0.117 0.000 0.940 436 K CB -0.611 31.926 32.500 0.062 0.000 0.729 436 K HN 0.560 nan 8.250 nan 0.000 0.451 437 N N 0.790 119.547 118.700 0.094 0.000 2.467 437 N HA 0.009 4.749 4.740 -0.000 0.000 0.184 437 N C -0.417 175.168 175.510 0.125 0.000 1.106 437 N CA -0.184 52.914 53.050 0.080 0.000 0.892 437 N CB 0.362 38.877 38.487 0.047 0.000 0.969 437 N HN 0.090 nan 8.380 nan 0.000 0.454 438 S N 0.782 116.606 115.700 0.206 0.000 2.576 438 S HA -0.005 4.465 4.470 -0.000 0.000 0.272 438 S C -0.094 174.679 174.600 0.289 0.000 1.352 438 S CA -0.557 57.820 58.200 0.295 0.000 1.021 438 S CB 0.156 63.622 63.200 0.442 0.000 0.887 438 S HN 0.295 nan 8.310 nan 0.000 0.542 439 Y N 0.698 121.049 120.300 0.086 0.000 2.314 439 Y HA 0.612 5.162 4.550 -0.000 0.000 0.334 439 Y C 0.053 175.967 175.900 0.022 0.000 1.266 439 Y CA -1.301 56.820 58.100 0.036 0.000 1.391 439 Y CB 0.319 38.798 38.460 0.031 0.000 1.306 439 Y HN 0.499 nan 8.280 nan 0.000 0.558 440 R N 2.182 122.550 120.500 -0.220 0.000 2.740 440 R HA 0.483 4.823 4.340 -0.000 0.000 0.282 440 R C -2.862 173.237 176.300 -0.336 0.000 0.969 440 R CA -2.340 53.550 56.100 -0.349 0.000 0.918 440 R CB 1.096 31.186 30.300 -0.349 0.000 1.175 440 R HN 0.417 nan 8.270 nan 0.000 0.464 441 P HA -0.105 nan 4.420 nan 0.000 0.263 441 P C 0.720 177.934 177.300 -0.143 0.000 1.168 441 P CA 1.262 64.243 63.100 -0.198 0.000 0.759 441 P CB 0.475 32.097 31.700 -0.129 0.000 0.782 442 G N 1.646 110.390 108.800 -0.094 0.000 2.258 442 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.233 442 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.233 442 G C 0.001 174.876 174.900 -0.041 0.000 1.006 442 G CA -0.155 44.909 45.100 -0.059 0.000 0.620 442 G HN 0.531 nan 8.290 nan 0.000 0.511 443 D N 0.728 121.100 120.400 -0.047 0.000 2.443 443 D HA 0.423 5.063 4.640 -0.000 0.000 0.239 443 D C 0.821 177.149 176.300 0.047 0.000 1.136 443 D CA 0.370 54.372 54.000 0.003 0.000 0.879 443 D CB 0.633 41.461 40.800 0.047 0.000 1.195 443 D HN 0.376 nan 8.370 nan 0.000 0.443 444 I N 3.525 124.125 120.570 0.049 0.000 2.339 444 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 444 I C 0.366 176.537 176.117 0.089 0.000 0.994 444 I CA -0.656 60.691 61.300 0.077 0.000 1.191 444 I CB 0.707 38.747 38.000 0.067 0.000 1.343 444 I HN 0.208 nan 8.210 nan 0.000 0.458 445 I N 2.108 122.747 120.570 0.116 0.000 3.067 445 I HA 0.677 4.847 4.170 -0.000 0.000 0.312 445 I C -0.777 175.409 176.117 0.115 0.000 1.073 445 I CA -0.498 60.868 61.300 0.110 0.000 1.016 445 I CB 2.495 40.569 38.000 0.123 0.000 1.227 445 I HN 0.281 nan 8.210 nan 0.000 0.456 446 T N 2.806 117.418 114.554 0.098 0.000 2.847 446 T HA 0.673 5.023 4.350 -0.000 0.000 0.291 446 T C 0.008 174.772 174.700 0.106 0.000 0.998 446 T CA -0.423 61.738 62.100 0.102 0.000 0.967 446 T CB 1.398 70.311 68.868 0.076 0.000 0.954 446 T HN 0.860 nan 8.240 nan 0.000 0.441 447 A N 2.106 125.014 122.820 0.146 0.000 2.296 447 A HA 0.560 4.880 4.320 -0.000 0.000 0.264 447 A C 1.644 179.303 177.584 0.125 0.000 1.097 447 A CA -0.185 51.939 52.037 0.144 0.000 0.811 447 A CB 0.092 19.235 19.000 0.238 0.000 1.072 447 A HN 0.935 nan 8.150 nan 0.000 0.495 448 S N 0.071 115.838 115.700 0.112 0.000 2.515 448 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 448 S C 0.890 175.535 174.600 0.076 0.000 0.987 448 S CA 1.028 59.279 58.200 0.085 0.000 0.936 448 S CB -0.518 62.730 63.200 0.080 0.000 0.766 448 S HN 0.868 nan 8.310 nan 0.000 0.528 449 N N 1.070 119.831 118.700 0.103 0.000 2.314 449 N HA 0.254 4.994 4.740 -0.000 0.000 0.200 449 N C 1.190 176.719 175.510 0.033 0.000 1.135 449 N CA 0.517 53.599 53.050 0.054 0.000 0.835 449 N CB -0.362 38.148 38.487 0.038 0.000 0.989 449 N HN 0.533 nan 8.380 nan 0.000 0.478 450 G N -0.021 108.813 108.800 0.056 0.000 2.225 450 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 450 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 450 G C -0.184 174.743 174.900 0.045 0.000 0.988 450 G CA 0.111 45.234 45.100 0.039 0.000 0.625 450 G HN 0.465 nan 8.290 nan 0.000 0.527 451 K N 2.380 122.815 120.400 0.058 0.000 2.379 451 K HA 0.405 4.725 4.320 -0.000 0.000 0.284 451 K C 0.851 177.529 176.600 0.131 0.000 1.044 451 K CA 0.630 56.951 56.287 0.058 0.000 0.974 451 K CB 0.568 33.053 32.500 -0.026 0.000 0.962 451 K HN 0.427 nan 8.250 nan 0.000 0.474 452 T N 0.626 115.244 114.554 0.106 0.000 2.869 452 T HA 0.479 4.829 4.350 -0.000 0.000 0.295 452 T C 0.240 175.046 174.700 0.177 0.000 0.987 452 T CA -0.702 61.476 62.100 0.130 0.000 1.109 452 T CB 0.409 69.338 68.868 0.101 0.000 0.932 452 T HN 0.351 nan 8.240 nan 0.000 0.518 453 I N 1.917 122.611 120.570 0.206 0.000 2.466 453 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 453 I C 0.125 176.353 176.117 0.185 0.000 1.026 453 I CA -0.854 60.602 61.300 0.260 0.000 1.078 453 I CB 2.148 40.362 38.000 0.358 0.000 1.249 453 I HN 0.747 nan 8.210 nan 0.000 0.429 454 E N 6.167 126.465 120.200 0.164 0.000 2.105 454 E HA 0.288 4.638 4.350 -0.000 0.000 0.285 454 E C -0.935 175.716 176.600 0.085 0.000 1.055 454 E CA -0.626 55.844 56.400 0.117 0.000 0.843 454 E CB 0.994 30.764 29.700 0.117 0.000 1.067 454 E HN 0.390 nan 8.360 nan 0.000 0.398 455 V N 4.823 124.778 119.914 0.068 0.000 2.485 455 V HA 0.107 4.227 4.120 -0.000 0.000 0.287 455 V C 1.250 177.330 176.094 -0.024 0.000 1.022 455 V CA 0.912 63.226 62.300 0.024 0.000 1.067 455 V CB 1.084 32.914 31.823 0.012 0.000 0.967 455 V HN 0.939 nan 8.190 nan 0.000 0.479 456 G N 3.598 112.375 108.800 -0.037 0.000 2.784 456 G HA2 0.081 4.041 3.960 -0.000 0.000 0.208 456 G HA3 0.081 4.041 3.960 -0.000 0.000 0.208 456 G C 0.470 175.334 174.900 -0.060 0.000 1.120 456 G CA 0.061 45.136 45.100 -0.041 0.000 0.774 456 G HN 0.615 nan 8.290 nan 0.000 0.528 457 N N 0.134 118.791 118.700 -0.072 0.000 2.578 457 N HA 0.050 4.790 4.740 -0.000 0.000 0.282 457 N C 1.009 176.476 175.510 -0.071 0.000 1.119 457 N CA 0.321 53.330 53.050 -0.069 0.000 0.948 457 N CB 1.424 39.882 38.487 -0.047 0.000 1.546 457 N HN -0.022 nan 8.380 nan 0.000 0.525 458 T N -0.842 113.639 114.554 -0.121 0.000 3.051 458 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 458 T C 0.962 175.709 174.700 0.078 0.000 1.127 458 T CA 0.982 62.999 62.100 -0.139 0.000 1.107 458 T CB 0.108 68.813 68.868 -0.271 0.000 0.898 458 T HN 0.360 nan 8.240 nan 0.000 0.517 459 D N 1.471 121.887 120.400 0.027 0.000 2.349 459 D HA 0.244 4.884 4.640 -0.000 0.000 0.215 459 D C 1.593 177.906 176.300 0.022 0.000 1.016 459 D CA 0.244 54.262 54.000 0.030 0.000 0.870 459 D CB -0.342 40.461 40.800 0.005 0.000 0.917 459 D HN 0.509 nan 8.370 nan 0.000 0.524 460 A N 1.144 123.968 122.820 0.008 0.000 2.426 460 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 460 A C 1.656 179.235 177.584 -0.008 0.000 1.389 460 A CA 0.033 52.053 52.037 -0.029 0.000 1.129 460 A CB -0.575 18.370 19.000 -0.091 0.000 0.928 460 A HN 0.261 nan 8.150 nan 0.000 0.557 461 E N -0.023 120.210 120.200 0.055 0.000 2.208 461 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 461 E C 1.604 178.208 176.600 0.008 0.000 0.988 461 E CA 1.292 57.736 56.400 0.074 0.000 0.828 461 E CB -0.822 28.942 29.700 0.107 0.000 0.763 461 E HN 0.369 nan 8.360 nan 0.000 0.478 462 G N 2.841 111.639 108.800 -0.003 0.000 2.433 462 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.216 462 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.216 462 G C 1.883 176.781 174.900 -0.005 0.000 1.186 462 G CA 1.534 46.631 45.100 -0.005 0.000 0.779 462 G HN 0.466 nan 8.290 nan 0.000 0.543 463 R N 0.432 120.922 120.500 -0.018 0.000 2.127 463 R HA 0.018 4.358 4.340 -0.000 0.000 0.238 463 R C 2.346 178.674 176.300 0.047 0.000 1.134 463 R CA 1.470 57.578 56.100 0.014 0.000 0.975 463 R CB -0.711 29.545 30.300 -0.074 0.000 0.865 463 R HN 0.409 nan 8.270 nan 0.000 0.447 464 L N 1.622 122.830 121.223 -0.024 0.000 2.056 464 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 464 L C 2.907 179.771 176.870 -0.010 0.000 1.078 464 L CA 1.887 56.727 54.840 0.001 0.000 0.749 464 L CB -0.929 41.125 42.059 -0.010 0.000 0.901 464 L HN 0.459 nan 8.230 nan 0.000 0.433 465 T N -1.860 112.697 114.554 0.006 0.000 2.821 465 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 465 T C 1.891 176.537 174.700 -0.090 0.000 1.046 465 T CA 0.807 62.909 62.100 0.003 0.000 1.139 465 T CB -0.492 68.386 68.868 0.016 0.000 0.871 465 T HN 0.190 nan 8.240 nan 0.000 0.454 466 L N 1.159 122.346 121.223 -0.060 0.000 2.046 466 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 466 L C 3.394 180.209 176.870 -0.093 0.000 1.077 466 L CA 1.162 55.975 54.840 -0.045 0.000 0.747 466 L CB -0.937 41.135 42.059 0.022 0.000 0.896 466 L HN 0.383 nan 8.230 nan 0.000 0.432 467 A N 0.124 122.820 122.820 -0.208 0.000 1.884 467 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 467 A C 2.008 179.420 177.584 -0.288 0.000 1.197 467 A CA 2.439 54.134 52.037 -0.570 0.000 0.637 467 A CB -0.703 17.548 19.000 -1.248 0.000 0.827 467 A HN 0.391 nan 8.150 nan 0.000 0.450 468 D N -0.558 119.756 120.400 -0.144 0.000 2.144 468 D HA 0.027 4.667 4.640 -0.000 0.000 0.200 468 D C 2.265 178.612 176.300 0.079 0.000 0.978 468 D CA 1.309 55.311 54.000 0.004 0.000 0.833 468 D CB -0.383 40.466 40.800 0.081 0.000 0.961 468 D HN 0.427 nan 8.370 nan 0.000 0.470 469 A N 0.624 123.484 122.820 0.066 0.000 1.940 469 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 469 A C 2.364 180.058 177.584 0.183 0.000 1.176 469 A CA 0.960 53.101 52.037 0.174 0.000 0.631 469 A CB -0.641 18.362 19.000 0.004 0.000 0.814 469 A HN 0.219 nan 8.150 nan 0.000 0.446 470 L N -0.891 120.383 121.223 0.085 0.000 2.131 470 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 470 L C 2.480 179.392 176.870 0.071 0.000 1.087 470 L CA 0.632 55.510 54.840 0.064 0.000 0.767 470 L CB -0.486 41.551 42.059 -0.037 0.000 0.917 470 L HN 0.219 nan 8.230 nan 0.000 0.441 471 V N -0.637 119.330 119.914 0.088 0.000 2.287 471 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 471 V C 2.256 178.391 176.094 0.069 0.000 1.053 471 V CA 2.064 64.412 62.300 0.079 0.000 1.027 471 V CB -0.679 31.207 31.823 0.106 0.000 0.646 471 V HN 0.405 nan 8.190 nan 0.000 0.447 472 Y N 1.164 121.447 120.300 -0.028 0.000 2.181 472 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 472 Y C 2.402 178.261 175.900 -0.068 0.000 1.146 472 Y CA 1.641 59.694 58.100 -0.079 0.000 1.164 472 Y CB -0.466 37.911 38.460 -0.139 0.000 0.982 472 Y HN 0.155 nan 8.280 nan 0.000 0.515 473 A N 0.072 122.998 122.820 0.176 0.000 1.883 473 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 473 A C 2.183 179.743 177.584 -0.040 0.000 1.186 473 A CA 2.017 54.096 52.037 0.070 0.000 0.624 473 A CB -0.917 18.166 19.000 0.138 0.000 0.822 473 A HN 0.649 nan 8.150 nan 0.000 0.444 474 E N -0.234 119.954 120.200 -0.021 0.000 2.150 474 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 474 E C 1.818 178.366 176.600 -0.087 0.000 0.985 474 E CA 1.101 57.480 56.400 -0.036 0.000 0.814 474 E CB -0.082 29.602 29.700 -0.026 0.000 0.752 474 E HN 0.579 nan 8.360 nan 0.000 0.466 475 K N 0.134 120.452 120.400 -0.137 0.000 2.362 475 K HA -0.045 4.275 4.320 -0.000 0.000 0.200 475 K C 1.753 178.223 176.600 -0.216 0.000 1.046 475 K CA 0.435 56.617 56.287 -0.174 0.000 0.952 475 K CB 0.053 32.420 32.500 -0.221 0.000 0.753 475 K HN 0.265 nan 8.250 nan 0.000 0.466 476 L N 0.125 121.192 121.223 -0.259 0.000 2.551 476 L HA 0.001 4.341 4.340 -0.000 0.000 0.228 476 L C 0.848 177.634 176.870 -0.141 0.000 1.153 476 L CA 0.377 55.059 54.840 -0.264 0.000 0.851 476 L CB -0.526 41.269 42.059 -0.439 0.000 0.959 476 L HN 0.309 nan 8.230 nan 0.000 0.451 477 G N 0.934 109.675 108.800 -0.098 0.000 2.353 477 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.294 477 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.294 477 G C -0.292 174.586 174.900 -0.036 0.000 1.077 477 G CA 0.069 45.135 45.100 -0.057 0.000 1.098 477 G HN 0.095 nan 8.290 nan 0.000 0.511 478 V N 0.131 120.028 119.914 -0.030 0.000 2.850 478 V HA 0.474 4.594 4.120 -0.000 0.000 0.315 478 V C 1.067 177.132 176.094 -0.048 0.000 1.064 478 V CA -0.165 62.132 62.300 -0.004 0.000 0.979 478 V CB 1.669 33.514 31.823 0.037 0.000 1.039 478 V HN 0.381 nan 8.190 nan 0.000 0.452 479 D N 1.219 121.543 120.400 -0.127 0.000 2.162 479 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 479 D C -0.573 175.488 176.300 -0.399 0.000 0.964 479 D CA 1.621 55.403 54.000 -0.363 0.000 0.847 479 D CB 0.217 40.641 40.800 -0.626 0.000 0.988 479 D HN 0.482 nan 8.370 nan 0.000 0.480 480 Y N -0.325 120.059 120.300 0.140 0.000 2.442 480 Y HA 0.486 5.036 4.550 -0.000 0.000 0.344 480 Y C -0.075 175.931 175.900 0.176 0.000 0.976 480 Y CA -0.949 57.257 58.100 0.176 0.000 1.040 480 Y CB 1.842 40.461 38.460 0.265 0.000 1.228 480 Y HN -0.297 nan 8.280 nan 0.000 0.451 481 I N 3.681 124.467 120.570 0.359 0.000 2.389 481 I HA 0.530 4.700 4.170 -0.000 0.000 0.288 481 I C -1.070 175.210 176.117 0.272 0.000 0.999 481 I CA -0.999 60.491 61.300 0.316 0.000 1.129 481 I CB 1.561 39.780 38.000 0.364 0.000 1.288 481 I HN 0.246 nan 8.210 nan 0.000 0.444 482 V N 4.920 124.925 119.914 0.151 0.000 2.407 482 V HA 0.256 4.376 4.120 -0.000 0.000 0.291 482 V C -0.646 175.495 176.094 0.079 0.000 1.018 482 V CA -0.622 61.669 62.300 -0.016 0.000 0.842 482 V CB 1.846 33.534 31.823 -0.224 0.000 0.996 482 V HN 0.850 nan 8.190 nan 0.000 0.426 483 D N 4.127 124.613 120.400 0.144 0.000 2.217 483 D HA 0.675 5.315 4.640 -0.000 0.000 0.248 483 D C -0.535 175.842 176.300 0.129 0.000 1.008 483 D CA -0.525 53.595 54.000 0.201 0.000 0.914 483 D CB 2.434 43.444 40.800 0.351 0.000 1.182 483 D HN 0.496 nan 8.370 nan 0.000 0.451 484 I N 0.542 121.172 120.570 0.101 0.000 2.582 484 I HA 0.734 4.904 4.170 -0.000 0.000 0.292 484 I C -1.687 174.468 176.117 0.064 0.000 1.066 484 I CA -0.683 60.650 61.300 0.054 0.000 1.053 484 I CB 1.475 39.502 38.000 0.044 0.000 1.241 484 I HN 0.801 nan 8.210 nan 0.000 0.421 485 A N 3.282 126.128 122.820 0.042 0.000 2.577 485 A HA 0.513 4.833 4.320 -0.000 0.000 0.297 485 A C -0.590 176.984 177.584 -0.018 0.000 1.060 485 A CA -0.451 51.608 52.037 0.037 0.000 0.697 485 A CB 1.190 20.279 19.000 0.148 0.000 1.281 485 A HN 0.675 nan 8.150 nan 0.000 0.402 486 T N 1.393 115.872 114.554 -0.124 0.000 3.455 486 T HA 0.363 4.712 4.350 -0.000 0.000 0.286 486 T C 0.734 175.394 174.700 -0.067 0.000 1.157 486 T CA -0.086 61.900 62.100 -0.189 0.000 1.090 486 T CB -0.164 68.351 68.868 -0.589 0.000 1.112 486 T HN 0.558 nan 8.240 nan 0.000 0.779 487 L N 3.035 124.287 121.223 0.047 0.000 2.189 487 L HA 0.300 4.640 4.340 -0.000 0.000 0.199 487 L C 1.245 178.167 176.870 0.087 0.000 1.074 487 L CA 1.207 56.102 54.840 0.091 0.000 0.783 487 L CB 0.026 42.209 42.059 0.205 0.000 0.955 487 L HN 0.822 nan 8.230 nan 0.000 0.460 488 T N -3.922 110.703 114.554 0.119 0.000 2.841 488 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 488 T C 0.997 175.787 174.700 0.150 0.000 0.991 488 T CA -0.319 61.853 62.100 0.121 0.000 0.966 488 T CB 1.353 70.293 68.868 0.119 0.000 0.962 488 T HN 0.207 nan 8.240 nan 0.000 0.438 489 G N 1.801 110.691 108.800 0.150 0.000 2.485 489 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.221 489 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.221 489 G C 1.627 176.662 174.900 0.225 0.000 1.115 489 G CA 0.672 45.879 45.100 0.180 0.000 0.751 489 G HN 1.176 nan 8.290 nan 0.000 0.567 490 A N 0.557 123.505 122.820 0.212 0.000 2.084 490 A HA -0.062 4.258 4.320 -0.000 0.000 0.221 490 A C 2.342 180.078 177.584 0.252 0.000 1.161 490 A CA 1.776 53.968 52.037 0.257 0.000 0.653 490 A CB -0.313 18.783 19.000 0.159 0.000 0.802 490 A HN 0.329 nan 8.150 nan 0.000 0.457 491 M N -0.650 119.068 119.600 0.197 0.000 2.267 491 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 491 M C 1.902 178.252 176.300 0.084 0.000 1.063 491 M CA 1.114 56.509 55.300 0.157 0.000 1.090 491 M CB -1.255 31.434 32.600 0.148 0.000 1.392 491 M HN 0.438 nan 8.290 nan 0.000 0.422 492 L N -1.884 119.358 121.223 0.030 0.000 2.275 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.215 492 L C 1.796 178.452 176.870 -0.357 0.000 1.119 492 L CA 0.995 55.722 54.840 -0.188 0.000 0.790 492 L CB -0.569 41.292 42.059 -0.329 0.000 0.919 492 L HN 0.226 nan 8.230 nan 0.000 0.443 493 Y N -1.545 118.760 120.300 0.008 0.000 2.497 493 Y HA -0.041 4.509 4.550 -0.000 0.000 0.265 493 Y C 2.724 178.619 175.900 -0.007 0.000 1.111 493 Y CA 0.649 58.745 58.100 -0.007 0.000 1.288 493 Y CB 0.136 38.595 38.460 -0.001 0.000 1.082 493 Y HN 0.188 nan 8.280 nan 0.000 0.536 494 S N -0.895 114.879 115.700 0.123 0.000 2.438 494 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 494 S C 1.419 176.010 174.600 -0.015 0.000 1.045 494 S CA 0.481 58.726 58.200 0.076 0.000 0.940 494 S CB -0.407 62.869 63.200 0.125 0.000 0.863 494 S HN 0.344 nan 8.310 nan 0.000 0.539 495 L N 0.558 121.771 121.223 -0.018 0.000 2.717 495 L HA 0.432 4.772 4.340 -0.000 0.000 0.239 495 L C 1.508 178.319 176.870 -0.099 0.000 1.086 495 L CA 0.312 55.102 54.840 -0.083 0.000 0.897 495 L CB 0.197 42.258 42.059 0.004 0.000 1.214 495 L HN 0.712 nan 8.230 nan 0.000 0.508 496 G N 1.220 109.981 108.800 -0.065 0.000 2.498 496 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.245 496 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.245 496 G C 0.618 175.514 174.900 -0.007 0.000 1.204 496 G CA 0.325 45.377 45.100 -0.080 0.000 0.933 496 G HN 0.219 nan 8.290 nan 0.000 0.574 497 T N -2.881 111.686 114.554 0.021 0.000 3.060 497 T HA 0.469 4.819 4.350 -0.000 0.000 0.249 497 T C 2.106 176.876 174.700 0.117 0.000 1.079 497 T CA 1.701 63.866 62.100 0.108 0.000 1.013 497 T CB 0.304 69.280 68.868 0.180 0.000 0.975 497 T HN 0.716 nan 8.240 nan 0.000 0.518 498 S N -0.173 115.601 115.700 0.124 0.000 2.412 498 S HA 0.298 4.768 4.470 -0.000 0.000 0.223 498 S C -0.019 174.825 174.600 0.407 0.000 1.048 498 S CA -0.138 58.212 58.200 0.251 0.000 0.954 498 S CB -0.151 63.213 63.200 0.273 0.000 0.840 498 S HN 0.640 nan 8.310 nan 0.000 0.503 499 Y N 1.295 121.612 120.300 0.029 0.000 2.341 499 Y HA 0.630 5.180 4.550 -0.000 0.000 0.337 499 Y C 0.408 176.300 175.900 -0.014 0.000 1.014 499 Y CA -1.367 56.770 58.100 0.063 0.000 1.111 499 Y CB 0.982 39.496 38.460 0.090 0.000 1.194 499 Y HN 0.164 nan 8.280 nan 0.000 0.462 500 A N 2.235 125.101 122.820 0.077 0.000 2.332 500 A HA 0.638 4.958 4.320 -0.000 0.000 0.258 500 A C 0.364 178.013 177.584 0.108 0.000 1.087 500 A CA 0.012 52.028 52.037 -0.035 0.000 0.802 500 A CB 0.179 19.100 19.000 -0.133 0.000 1.042 500 A HN 0.857 nan 8.150 nan 0.000 0.489 501 G N -1.039 107.800 108.800 0.065 0.000 2.388 501 G HA2 0.536 4.496 3.960 -0.000 0.000 0.330 501 G HA3 0.536 4.496 3.960 -0.000 0.000 0.330 501 G C -1.107 173.727 174.900 -0.110 0.000 1.142 501 G CA -0.302 44.802 45.100 0.006 0.000 0.908 501 G HN 1.224 nan 8.290 nan 0.000 0.473 502 V N 2.203 121.977 119.914 -0.233 0.000 2.604 502 V HA 0.856 4.976 4.120 -0.000 0.000 0.305 502 V C -1.334 174.577 176.094 -0.305 0.000 1.043 502 V CA -0.910 61.269 62.300 -0.202 0.000 0.888 502 V CB 1.247 32.969 31.823 -0.168 0.000 0.995 502 V HN 0.561 nan 8.190 nan 0.000 0.429 503 F N 3.979 123.935 119.950 0.010 0.000 2.577 503 F HA 0.970 5.497 4.527 -0.000 0.000 0.318 503 F C 0.649 176.329 175.800 -0.200 0.000 1.065 503 F CA -0.006 58.042 58.000 0.080 0.000 0.929 503 F CB 2.588 41.688 39.000 0.167 0.000 1.237 503 F HN 0.784 nan 8.300 nan 0.000 0.468 504 G N 0.480 109.317 108.800 0.061 0.000 2.550 504 G HA2 0.284 4.244 3.960 -0.000 0.000 0.293 504 G HA3 0.284 4.244 3.960 -0.000 0.000 0.293 504 G C -1.142 173.839 174.900 0.136 0.000 1.402 504 G CA -0.892 44.067 45.100 -0.235 0.000 0.784 504 G HN 0.593 nan 8.290 nan 0.000 0.482 505 N N -0.508 118.354 118.700 0.270 0.000 2.230 505 N HA 0.090 4.830 4.740 -0.000 0.000 0.202 505 N C -0.016 175.615 175.510 0.201 0.000 1.119 505 N CA -0.291 52.958 53.050 0.331 0.000 0.851 505 N CB 0.605 39.363 38.487 0.451 0.000 0.990 505 N HN 0.427 nan 8.380 nan 0.000 0.497 506 N N 0.478 119.247 118.700 0.116 0.000 2.454 506 N HA 0.049 4.789 4.740 -0.000 0.000 0.291 506 N C -0.364 175.119 175.510 -0.045 0.000 1.079 506 N CA -0.149 52.941 53.050 0.067 0.000 0.893 506 N CB 2.118 40.669 38.487 0.106 0.000 1.512 506 N HN 0.094 nan 8.380 nan 0.000 0.497 507 E N 1.402 121.574 120.200 -0.047 0.000 2.106 507 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 507 E C 0.770 177.237 176.600 -0.222 0.000 0.984 507 E CA 1.360 57.653 56.400 -0.178 0.000 0.806 507 E CB 0.457 30.113 29.700 -0.073 0.000 0.750 507 E HN 0.600 nan 8.360 nan 0.000 0.458 508 E N 0.065 120.201 120.200 -0.107 0.000 2.072 508 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 508 E C 1.941 178.451 176.600 -0.150 0.000 0.985 508 E CA 0.966 57.309 56.400 -0.095 0.000 0.801 508 E CB -0.475 29.222 29.700 -0.006 0.000 0.750 508 E HN 0.324 nan 8.360 nan 0.000 0.452 509 L N 0.533 121.669 121.223 -0.146 0.000 2.017 509 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 509 L C 2.248 178.921 176.870 -0.327 0.000 1.073 509 L CA 1.664 56.356 54.840 -0.247 0.000 0.745 509 L CB -0.596 41.365 42.059 -0.163 0.000 0.894 509 L HN 0.225 nan 8.230 nan 0.000 0.432 510 I N 0.076 120.416 120.570 -0.383 0.000 2.151 510 I HA -0.361 3.809 4.170 -0.000 0.000 0.243 510 I C 2.152 177.968 176.117 -0.502 0.000 1.080 510 I CA 1.484 62.454 61.300 -0.549 0.000 1.339 510 I CB -0.587 36.866 38.000 -0.911 0.000 1.039 510 I HN 0.401 nan 8.210 nan 0.000 0.409 511 N N 0.891 119.329 118.700 -0.436 0.000 2.223 511 N HA -0.166 4.574 4.740 -0.000 0.000 0.185 511 N C 1.765 177.151 175.510 -0.208 0.000 1.016 511 N CA 1.248 54.108 53.050 -0.317 0.000 0.863 511 N CB -0.172 38.169 38.487 -0.244 0.000 0.983 511 N HN 0.432 nan 8.380 nan 0.000 0.429 512 K N 0.481 120.779 120.400 -0.170 0.000 2.057 512 K HA 0.026 4.346 4.320 -0.000 0.000 0.206 512 K C 1.894 178.470 176.600 -0.040 0.000 1.050 512 K CA 0.616 56.873 56.287 -0.049 0.000 0.935 512 K CB 0.064 32.597 32.500 0.055 0.000 0.715 512 K HN 0.058 nan 8.250 nan 0.000 0.439 513 I N 1.424 121.867 120.570 -0.211 0.000 2.226 513 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 513 I C 2.147 178.157 176.117 -0.178 0.000 1.100 513 I CA 1.519 62.663 61.300 -0.258 0.000 1.374 513 I CB -0.938 36.836 38.000 -0.376 0.000 1.057 513 I HN 0.194 nan 8.210 nan 0.000 0.413 514 L N -0.056 121.042 121.223 -0.209 0.000 2.141 514 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 514 L C 2.585 179.380 176.870 -0.125 0.000 1.094 514 L CA 1.027 55.757 54.840 -0.184 0.000 0.763 514 L CB -0.483 41.433 42.059 -0.238 0.000 0.908 514 L HN 0.262 nan 8.230 nan 0.000 0.437 515 Q N -0.005 119.735 119.800 -0.101 0.000 2.123 515 Q HA -0.123 4.217 4.340 -0.000 0.000 0.199 515 Q C 2.147 178.128 176.000 -0.033 0.000 0.966 515 Q CA 1.902 57.669 55.803 -0.061 0.000 0.845 515 Q CB -0.017 28.692 28.738 -0.048 0.000 0.907 515 Q HN 0.312 nan 8.270 nan 0.000 0.439 516 S N -0.535 115.158 115.700 -0.012 0.000 2.461 516 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 516 S C 1.836 176.419 174.600 -0.028 0.000 1.005 516 S CA 0.725 58.935 58.200 0.017 0.000 0.942 516 S CB -0.303 62.948 63.200 0.085 0.000 0.776 516 S HN 0.482 nan 8.310 nan 0.000 0.514 517 S N 1.823 117.484 115.700 -0.065 0.000 2.355 517 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 517 S C 2.055 176.602 174.600 -0.090 0.000 1.031 517 S CA 1.687 59.835 58.200 -0.088 0.000 0.993 517 S CB -0.280 62.864 63.200 -0.095 0.000 0.859 517 S HN 0.424 nan 8.310 nan 0.000 0.453 518 K N 0.539 120.893 120.400 -0.077 0.000 2.148 518 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 518 K C 2.356 178.922 176.600 -0.057 0.000 1.050 518 K CA 1.920 58.164 56.287 -0.072 0.000 0.942 518 K CB -1.408 31.058 32.500 -0.057 0.000 0.724 518 K HN 0.877 nan 8.250 nan 0.000 0.446 519 T N -1.986 112.552 114.554 -0.027 0.000 3.054 519 T HA -0.017 4.333 4.350 -0.000 0.000 0.259 519 T C 1.971 176.694 174.700 0.038 0.000 1.092 519 T CA 1.194 63.298 62.100 0.006 0.000 1.121 519 T CB -0.266 68.618 68.868 0.025 0.000 0.912 519 T HN 0.454 nan 8.240 nan 0.000 0.489 520 S N 1.511 117.226 115.700 0.025 0.000 2.528 520 S HA 0.096 4.566 4.470 -0.000 0.000 0.219 520 S C 0.958 175.563 174.600 0.008 0.000 0.985 520 S CA -0.057 58.185 58.200 0.069 0.000 0.914 520 S CB -0.692 62.513 63.200 0.008 0.000 0.776 520 S HN 0.552 nan 8.310 nan 0.000 0.526 521 N N 1.774 120.396 118.700 -0.130 0.000 2.708 521 N HA -0.135 4.605 4.740 -0.000 0.000 0.249 521 N C -1.204 174.178 175.510 -0.213 0.000 1.097 521 N CA 0.959 53.815 53.050 -0.323 0.000 0.710 521 N CB -1.155 36.804 38.487 -0.879 0.000 1.032 521 N HN 0.725 nan 8.380 nan 0.000 0.551 522 E N 0.897 121.006 120.200 -0.152 0.000 2.101 522 E HA 0.226 4.576 4.350 -0.000 0.000 0.260 522 E C -2.364 174.200 176.600 -0.061 0.000 0.897 522 E CA -1.613 54.684 56.400 -0.172 0.000 0.744 522 E CB 1.204 30.577 29.700 -0.545 0.000 1.140 522 E HN 0.109 nan 8.360 nan 0.000 0.419 523 P HA 0.030 nan 4.420 nan 0.000 0.271 523 P C -0.445 176.812 177.300 -0.071 0.000 1.226 523 P CA -0.000 62.961 63.100 -0.232 0.000 0.765 523 P CB 0.936 32.242 31.700 -0.658 0.000 0.835 524 V N 4.680 124.553 119.914 -0.068 0.000 2.823 524 V HA 0.481 4.601 4.120 -0.000 0.000 0.312 524 V C -0.590 175.594 176.094 0.150 0.000 1.072 524 V CA -0.613 61.730 62.300 0.071 0.000 0.937 524 V CB 2.895 34.741 31.823 0.038 0.000 1.013 524 V HN 0.652 nan 8.190 nan 0.000 0.430 525 W N 3.753 125.081 121.300 0.047 0.000 2.785 525 W HA 0.410 5.070 4.660 -0.000 0.000 0.333 525 W C -1.488 175.073 176.519 0.069 0.000 1.062 525 W CA -0.883 56.527 57.345 0.108 0.000 1.233 525 W CB 2.033 31.626 29.460 0.221 0.000 1.413 525 W HN 0.738 nan 8.180 nan 0.000 0.489 526 W N 7.642 128.601 121.300 -0.568 0.000 2.345 526 W HA 0.477 5.137 4.660 -0.000 0.000 0.308 526 W C -1.334 175.029 176.519 -0.260 0.000 1.273 526 W CA -0.713 56.385 57.345 -0.413 0.000 1.243 526 W CB 0.081 29.282 29.460 -0.433 0.000 1.260 526 W HN 0.182 nan 8.180 nan 0.000 0.509 527 L N 9.060 130.144 121.223 -0.233 0.000 2.333 527 L HA 0.544 4.884 4.340 -0.000 0.000 0.269 527 L C -1.804 174.892 176.870 -0.290 0.000 1.010 527 L CA -2.285 52.339 54.840 -0.359 0.000 0.818 527 L CB 2.336 44.103 42.059 -0.487 0.000 1.306 527 L HN 0.269 nan 8.230 nan 0.000 0.430 528 P HA 0.287 nan 4.420 nan 0.000 0.284 528 P C -0.856 176.644 177.300 0.333 0.000 1.258 528 P CA -0.319 62.791 63.100 0.017 0.000 0.824 528 P CB 1.230 32.882 31.700 -0.080 0.000 1.038 529 I N 3.343 124.104 120.570 0.319 0.000 2.281 529 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 529 I C 0.577 176.772 176.117 0.130 0.000 1.085 529 I CA -0.550 60.926 61.300 0.293 0.000 1.257 529 I CB 0.104 38.298 38.000 0.323 0.000 1.430 529 I HN 0.127 nan 8.210 nan 0.000 0.489 530 I N 6.874 127.470 120.570 0.044 0.000 2.322 530 I HA 0.072 4.242 4.170 -0.000 0.000 0.292 530 I C 1.352 177.355 176.117 -0.190 0.000 1.060 530 I CA -0.109 61.083 61.300 -0.181 0.000 1.309 530 I CB 0.372 38.056 38.000 -0.527 0.000 1.415 530 I HN 0.562 nan 8.210 nan 0.000 0.492 531 N N 4.449 123.088 118.700 -0.102 0.000 2.309 531 N HA -0.184 4.556 4.740 -0.000 0.000 0.182 531 N C 1.612 177.088 175.510 -0.057 0.000 1.018 531 N CA 0.840 53.868 53.050 -0.037 0.000 0.876 531 N CB 0.079 38.564 38.487 -0.003 0.000 0.972 531 N HN 0.629 nan 8.380 nan 0.000 0.434 532 E N 0.323 120.433 120.200 -0.150 0.000 2.273 532 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 532 E C 0.753 177.366 176.600 0.021 0.000 1.002 532 E CA 1.003 57.339 56.400 -0.107 0.000 0.828 532 E CB -0.087 29.517 29.700 -0.161 0.000 0.747 532 E HN 0.574 nan 8.360 nan 0.000 0.491 533 Y N -1.222 119.107 120.300 0.048 0.000 2.529 533 Y HA 0.059 4.609 4.550 -0.000 0.000 0.290 533 Y C 2.179 178.109 175.900 0.050 0.000 1.177 533 Y CA -0.298 57.830 58.100 0.048 0.000 1.305 533 Y CB 0.189 38.682 38.460 0.055 0.000 1.047 533 Y HN -0.025 nan 8.280 nan 0.000 0.522 534 R N 1.911 122.513 120.500 0.171 0.000 2.081 534 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 534 R C 2.227 178.587 176.300 0.100 0.000 1.131 534 R CA 1.587 57.759 56.100 0.120 0.000 0.960 534 R CB -0.902 29.441 30.300 0.072 0.000 0.856 534 R HN 0.232 nan 8.270 nan 0.000 0.436 535 A N -0.292 122.581 122.820 0.087 0.000 1.958 535 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 535 A C 2.107 179.732 177.584 0.068 0.000 1.178 535 A CA 2.360 54.436 52.037 0.065 0.000 0.642 535 A CB -1.413 17.620 19.000 0.056 0.000 0.816 535 A HN 0.652 nan 8.150 nan 0.000 0.453 536 T N -2.299 112.307 114.554 0.087 0.000 3.163 536 T HA 0.163 4.513 4.350 -0.000 0.000 0.260 536 T C 1.139 175.881 174.700 0.070 0.000 1.156 536 T CA 1.038 63.177 62.100 0.066 0.000 1.072 536 T CB -0.424 68.475 68.868 0.052 0.000 0.937 536 T HN 0.347 nan 8.240 nan 0.000 0.528 537 L N 0.350 121.628 121.223 0.092 0.000 2.667 537 L HA 0.332 4.672 4.340 -0.000 0.000 0.232 537 L C 0.177 177.103 176.870 0.093 0.000 1.138 537 L CA -0.514 54.394 54.840 0.113 0.000 0.921 537 L CB -0.271 41.889 42.059 0.169 0.000 1.180 537 L HN 0.106 nan 8.230 nan 0.000 0.487 538 N N 1.286 120.023 118.700 0.062 0.000 2.431 538 N HA 0.012 4.752 4.740 -0.000 0.000 0.265 538 N C -0.029 175.502 175.510 0.034 0.000 1.184 538 N CA 0.308 53.382 53.050 0.040 0.000 0.943 538 N CB 1.228 39.727 38.487 0.020 0.000 1.080 538 N HN -0.050 nan 8.380 nan 0.000 0.477 539 S N 1.393 117.116 115.700 0.039 0.000 2.508 539 S HA 0.195 4.665 4.470 -0.000 0.000 0.284 539 S C 1.230 175.819 174.600 -0.019 0.000 1.192 539 S CA -0.658 57.567 58.200 0.043 0.000 1.070 539 S CB 1.142 64.395 63.200 0.089 0.000 1.004 539 S HN 0.460 nan 8.310 nan 0.000 0.493 540 K N 3.363 123.718 120.400 -0.074 0.000 2.209 540 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 540 K C 0.528 176.862 176.600 -0.444 0.000 1.048 540 K CA 1.957 58.070 56.287 -0.290 0.000 0.940 540 K CB -0.295 31.953 32.500 -0.421 0.000 0.729 540 K HN 0.796 nan 8.250 nan 0.000 0.451 541 Y N -1.537 118.777 120.300 0.023 0.000 2.594 541 Y HA 0.450 5.000 4.550 -0.000 0.000 0.283 541 Y C 0.985 176.902 175.900 0.029 0.000 1.140 541 Y CA 0.101 58.214 58.100 0.022 0.000 1.261 541 Y CB -0.181 38.291 38.460 0.019 0.000 1.358 541 Y HN 0.002 nan 8.280 nan 0.000 0.513 542 A N 0.148 123.074 122.820 0.177 0.000 2.274 542 A HA 0.239 4.559 4.320 -0.000 0.000 0.297 542 A C 0.684 178.321 177.584 0.088 0.000 1.191 542 A CA 0.010 52.126 52.037 0.131 0.000 0.889 542 A CB 0.046 19.131 19.000 0.142 0.000 1.294 542 A HN 0.252 nan 8.150 nan 0.000 0.506 543 D N -0.875 119.573 120.400 0.079 0.000 2.178 543 D HA 0.057 4.697 4.640 -0.000 0.000 0.202 543 D C 0.344 176.678 176.300 0.057 0.000 0.974 543 D CA 1.565 55.592 54.000 0.045 0.000 0.841 543 D CB 0.113 40.923 40.800 0.016 0.000 0.953 543 D HN 0.403 nan 8.370 nan 0.000 0.478 544 I N -0.364 120.275 120.570 0.116 0.000 2.918 544 I HA 0.135 4.305 4.170 -0.000 0.000 0.301 544 I C -1.424 174.824 176.117 0.219 0.000 1.312 544 I CA -0.766 60.628 61.300 0.156 0.000 1.007 544 I CB 2.151 40.243 38.000 0.154 0.000 1.281 544 I HN -0.330 nan 8.210 nan 0.000 0.440 545 N N 4.386 123.207 118.700 0.202 0.000 2.524 545 N HA 0.161 4.901 4.740 -0.000 0.000 0.283 545 N C 0.189 175.813 175.510 0.190 0.000 1.142 545 N CA -0.207 52.941 53.050 0.162 0.000 0.984 545 N CB 1.766 40.313 38.487 0.099 0.000 1.155 545 N HN 0.660 nan 8.380 nan 0.000 0.467 546 Q N 1.656 121.465 119.800 0.016 0.000 2.172 546 Q HA -0.013 4.327 4.340 -0.000 0.000 0.200 546 Q C 0.263 176.079 176.000 -0.306 0.000 0.964 546 Q CA 1.061 56.655 55.803 -0.349 0.000 0.855 546 Q CB 0.218 28.797 28.738 -0.264 0.000 0.918 546 Q HN 0.727 nan 8.270 nan 0.000 0.444 547 I N -3.037 117.467 120.570 -0.110 0.000 3.002 547 I HA 0.480 4.650 4.170 -0.000 0.000 0.310 547 I C -0.527 175.581 176.117 -0.014 0.000 1.087 547 I CA -1.252 60.005 61.300 -0.072 0.000 1.017 547 I CB 2.090 40.049 38.000 -0.068 0.000 1.226 547 I HN -0.243 nan 8.210 nan 0.000 0.443 548 S N 1.258 116.950 115.700 -0.013 0.000 2.513 548 S HA 0.256 4.726 4.470 -0.000 0.000 0.276 548 S C 1.018 175.604 174.600 -0.024 0.000 1.254 548 S CA 0.036 58.231 58.200 -0.008 0.000 1.053 548 S CB 0.980 64.163 63.200 -0.028 0.000 0.958 548 S HN 0.864 nan 8.310 nan 0.000 0.491 549 S N 3.378 119.069 115.700 -0.015 0.000 2.478 549 S HA -0.034 4.436 4.470 -0.000 0.000 0.222 549 S C 1.671 176.252 174.600 -0.033 0.000 1.008 549 S CA 0.802 58.989 58.200 -0.022 0.000 0.928 549 S CB -0.395 62.799 63.200 -0.011 0.000 0.781 549 S HN 0.808 nan 8.310 nan 0.000 0.518 550 S N 0.986 116.663 115.700 -0.038 0.000 2.444 550 S HA 0.259 4.729 4.470 -0.000 0.000 0.223 550 S C 0.605 175.148 174.600 -0.095 0.000 1.054 550 S CA 0.053 58.221 58.200 -0.052 0.000 0.947 550 S CB -0.922 62.256 63.200 -0.036 0.000 0.850 550 S HN 0.253 nan 8.310 nan 0.000 0.527 551 V N 3.794 123.624 119.914 -0.140 0.000 2.529 551 V HA 0.151 4.271 4.120 -0.000 0.000 0.292 551 V C 0.968 176.946 176.094 -0.194 0.000 1.028 551 V CA 0.061 62.204 62.300 -0.261 0.000 1.074 551 V CB 0.810 32.357 31.823 -0.459 0.000 0.958 551 V HN 0.395 nan 8.190 nan 0.000 0.481 552 K N 3.553 123.842 120.400 -0.184 0.000 2.379 552 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 552 K C 1.123 177.664 176.600 -0.098 0.000 1.031 552 K CA 0.557 56.770 56.287 -0.124 0.000 1.037 552 K CB 0.183 32.619 32.500 -0.108 0.000 0.824 552 K HN 0.698 nan 8.250 nan 0.000 0.516 553 A N 2.371 125.112 122.820 -0.131 0.000 3.048 553 A HA 0.080 4.400 4.320 -0.000 0.000 0.264 553 A C 1.428 179.018 177.584 0.011 0.000 1.796 553 A CA 0.103 52.124 52.037 -0.027 0.000 1.445 553 A CB -0.626 18.375 19.000 0.000 0.000 1.074 553 A HN 0.248 nan 8.150 nan 0.000 0.621 554 S N 0.066 115.775 115.700 0.015 0.000 2.453 554 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 554 S C 1.723 176.349 174.600 0.044 0.000 1.005 554 S CA 1.413 59.622 58.200 0.015 0.000 0.949 554 S CB -0.277 62.926 63.200 0.005 0.000 0.774 554 S HN 0.524 nan 8.310 nan 0.000 0.510 555 S N 1.962 117.718 115.700 0.094 0.000 2.402 555 S HA 0.127 4.597 4.470 -0.000 0.000 0.229 555 S C 1.700 176.239 174.600 -0.103 0.000 1.021 555 S CA 1.269 59.520 58.200 0.085 0.000 0.974 555 S CB -0.456 62.919 63.200 0.292 0.000 0.800 555 S HN 0.556 nan 8.310 nan 0.000 0.484 556 I N 0.874 121.484 120.570 0.067 0.000 2.286 556 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 556 I C 2.131 178.293 176.117 0.076 0.000 1.104 556 I CA 0.841 62.203 61.300 0.103 0.000 1.397 556 I CB -0.448 37.767 38.000 0.358 0.000 1.072 556 I HN 0.153 nan 8.210 nan 0.000 0.417 557 V N 1.241 121.213 119.914 0.097 0.000 2.307 557 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 557 V C 2.788 178.937 176.094 0.090 0.000 1.045 557 V CA 1.905 64.271 62.300 0.110 0.000 1.024 557 V CB -1.005 30.849 31.823 0.052 0.000 0.651 557 V HN 0.466 nan 8.190 nan 0.000 0.449 558 A N -0.136 122.699 122.820 0.024 0.000 1.948 558 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 558 A C 2.473 180.068 177.584 0.018 0.000 1.177 558 A CA 2.437 54.484 52.037 0.016 0.000 0.636 558 A CB -0.720 18.267 19.000 -0.023 0.000 0.815 558 A HN 0.526 nan 8.150 nan 0.000 0.449 559 S N -0.333 115.305 115.700 -0.104 0.000 2.383 559 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 559 S C 1.802 176.515 174.600 0.188 0.000 1.026 559 S CA 1.247 59.432 58.200 -0.025 0.000 0.981 559 S CB -0.410 62.634 63.200 -0.261 0.000 0.818 559 S HN 0.506 nan 8.310 nan 0.000 0.472 560 L N 0.025 121.345 121.223 0.161 0.000 2.046 560 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 560 L C 2.206 179.168 176.870 0.153 0.000 1.077 560 L CA 1.444 56.386 54.840 0.171 0.000 0.747 560 L CB -0.413 41.753 42.059 0.177 0.000 0.896 560 L HN 0.301 nan 8.230 nan 0.000 0.432 561 F N 0.418 120.405 119.950 0.061 0.000 2.102 561 F HA -0.248 4.279 4.527 -0.000 0.000 0.298 561 F C 2.206 178.090 175.800 0.140 0.000 1.105 561 F CA 1.567 59.628 58.000 0.101 0.000 1.239 561 F CB -0.080 38.970 39.000 0.083 0.000 0.991 561 F HN -0.119 nan 8.300 nan 0.000 0.474 562 L N 0.376 121.682 121.223 0.139 0.000 2.083 562 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 562 L C 2.473 179.074 176.870 -0.449 0.000 1.083 562 L CA 1.689 56.483 54.840 -0.077 0.000 0.752 562 L CB -0.819 41.246 42.059 0.010 0.000 0.899 562 L HN 0.133 nan 8.230 nan 0.000 0.433 563 K N 0.221 120.362 120.400 -0.432 0.000 2.152 563 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 563 K C 1.877 178.232 176.600 -0.409 0.000 1.048 563 K CA 1.152 57.118 56.287 -0.536 0.000 0.933 563 K CB 0.104 32.560 32.500 -0.074 0.000 0.721 563 K HN 0.245 nan 8.250 nan 0.000 0.447 564 E N -0.360 119.610 120.200 -0.383 0.000 2.338 564 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 564 E C 0.921 176.998 176.600 -0.872 0.000 1.007 564 E CA 0.880 56.928 56.400 -0.588 0.000 0.849 564 E CB 0.025 29.284 29.700 -0.735 0.000 0.774 564 E HN 0.395 nan 8.360 nan 0.000 0.506 565 F N -0.239 119.449 119.950 -0.437 0.000 2.664 565 F HA 0.114 4.641 4.527 -0.000 0.000 0.303 565 F C 0.491 176.095 175.800 -0.327 0.000 1.092 565 F CA -0.087 57.702 58.000 -0.351 0.000 1.305 565 F CB 0.807 39.607 39.000 -0.333 0.000 1.054 565 F HN -0.314 nan 8.300 nan 0.000 0.565 566 V N -0.021 119.708 119.914 -0.309 0.000 2.376 566 V HA 0.131 4.251 4.120 -0.000 0.000 0.287 566 V C 0.511 176.499 176.094 -0.177 0.000 1.015 566 V CA -0.308 61.846 62.300 -0.244 0.000 0.834 566 V CB 1.318 32.924 31.823 -0.362 0.000 1.001 566 V HN 0.023 nan 8.190 nan 0.000 0.428 567 Q N 2.210 121.938 119.800 -0.120 0.000 2.137 567 Q HA 0.076 4.416 4.340 -0.000 0.000 0.198 567 Q C 1.296 177.268 176.000 -0.046 0.000 0.960 567 Q CA 1.325 57.072 55.803 -0.093 0.000 0.847 567 Q CB 0.053 28.741 28.738 -0.083 0.000 0.915 567 Q HN 0.826 nan 8.270 nan 0.000 0.448 568 N N -0.908 117.780 118.700 -0.019 0.000 2.297 568 N HA 0.076 4.815 4.740 -0.000 0.000 0.244 568 N C -1.382 174.144 175.510 0.027 0.000 1.412 568 N CA 0.210 53.262 53.050 0.004 0.000 0.837 568 N CB 1.530 40.010 38.487 -0.012 0.000 1.336 568 N HN 0.216 nan 8.380 nan 0.000 0.508 569 T N 0.105 114.694 114.554 0.058 0.000 2.893 569 T HA 0.565 4.915 4.350 -0.000 0.000 0.293 569 T C -0.137 174.673 174.700 0.183 0.000 1.027 569 T CA -0.470 61.686 62.100 0.094 0.000 0.988 569 T CB 2.308 71.229 68.868 0.089 0.000 1.043 569 T HN 0.184 nan 8.240 nan 0.000 0.461 570 A N 2.309 125.251 122.820 0.204 0.000 2.524 570 A HA 0.452 4.772 4.320 -0.000 0.000 0.250 570 A C -0.711 177.100 177.584 0.379 0.000 1.078 570 A CA -0.102 52.109 52.037 0.290 0.000 0.761 570 A CB -0.374 18.844 19.000 0.363 0.000 1.012 570 A HN 0.862 nan 8.150 nan 0.000 0.500 571 W N 2.432 123.807 121.300 0.125 0.000 3.022 571 W HA 0.632 5.292 4.660 -0.000 0.000 0.335 571 W C -0.615 175.957 176.519 0.089 0.000 1.133 571 W CA 0.054 57.464 57.345 0.108 0.000 1.219 571 W CB 1.387 30.907 29.460 0.101 0.000 1.409 571 W HN 0.959 nan 8.180 nan 0.000 0.507 572 A N 3.301 125.636 122.820 -0.809 0.000 2.566 572 A HA 0.704 5.024 4.320 -0.000 0.000 0.292 572 A C -2.248 174.811 177.584 -0.875 0.000 1.112 572 A CA -0.687 50.807 52.037 -0.905 0.000 0.707 572 A CB 1.761 20.465 19.000 -0.493 0.000 1.302 572 A HN 1.011 nan 8.150 nan 0.000 0.409 573 H N 0.116 118.799 119.070 -0.646 0.000 2.934 573 H HA 0.639 5.195 4.556 -0.000 0.000 0.340 573 H C -1.846 173.491 175.328 0.015 0.000 1.008 573 H CA -0.506 55.402 56.048 -0.234 0.000 1.317 573 H CB 0.714 30.405 29.762 -0.119 0.000 1.670 573 H HN 0.492 nan 8.280 nan 0.000 0.516 574 I N 4.487 124.844 120.570 -0.355 0.000 2.328 574 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 574 I C -0.258 175.654 176.117 -0.342 0.000 1.012 574 I CA -0.602 60.544 61.300 -0.257 0.000 1.195 574 I CB 1.153 39.101 38.000 -0.086 0.000 1.350 574 I HN 0.585 nan 8.210 nan 0.000 0.464 575 D N 7.673 127.922 120.400 -0.252 0.000 2.347 575 D HA 0.245 4.885 4.640 -0.000 0.000 0.235 575 D C 0.609 176.884 176.300 -0.041 0.000 1.149 575 D CA -0.254 53.689 54.000 -0.095 0.000 0.850 575 D CB 1.203 42.091 40.800 0.146 0.000 1.061 575 D HN 0.573 nan 8.370 nan 0.000 0.487 576 I N 0.887 121.418 120.570 -0.065 0.000 3.914 576 I HA 0.321 4.491 4.170 -0.000 0.000 0.333 576 I C 1.591 177.680 176.117 -0.047 0.000 1.449 576 I CA -0.546 60.671 61.300 -0.138 0.000 1.135 576 I CB 0.576 38.483 38.000 -0.154 0.000 1.073 576 I HN 0.189 nan 8.210 nan 0.000 0.401 577 A N 1.942 124.780 122.820 0.030 0.000 1.940 577 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 577 A C 2.299 180.049 177.584 0.277 0.000 1.176 577 A CA 1.961 54.087 52.037 0.148 0.000 0.631 577 A CB -1.196 17.902 19.000 0.164 0.000 0.814 577 A HN 0.561 nan 8.150 nan 0.000 0.446 578 G N -0.864 108.034 108.800 0.164 0.000 2.464 578 G HA2 0.073 4.033 3.960 -0.000 0.000 0.217 578 G HA3 0.073 4.033 3.960 -0.000 0.000 0.217 578 G C 1.309 176.317 174.900 0.179 0.000 1.138 578 G CA 1.370 46.578 45.100 0.180 0.000 0.793 578 G HN 1.028 nan 8.290 nan 0.000 0.539 579 V N -2.166 117.758 119.914 0.018 0.000 3.643 579 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 579 V C 2.294 178.383 176.094 -0.009 0.000 1.351 579 V CA 1.229 63.481 62.300 -0.079 0.000 1.073 579 V CB 0.380 31.923 31.823 -0.467 0.000 0.863 579 V HN 0.244 nan 8.190 nan 0.000 0.436 580 S N -0.246 115.525 115.700 0.119 0.000 2.371 580 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 580 S C 0.650 175.413 174.600 0.272 0.000 1.029 580 S CA 0.397 58.726 58.200 0.214 0.000 0.978 580 S CB -0.179 63.160 63.200 0.232 0.000 0.833 580 S HN 0.805 nan 8.310 nan 0.000 0.466 581 W N 3.000 124.311 121.300 0.018 0.000 2.391 581 W HA 0.435 5.095 4.660 -0.000 0.000 0.311 581 W C -0.673 175.561 176.519 -0.475 0.000 1.087 581 W CA -0.946 56.223 57.345 -0.293 0.000 1.209 581 W CB 0.781 29.821 29.460 -0.700 0.000 1.273 581 W HN 0.150 nan 8.180 nan 0.000 0.482 582 N N 5.427 123.663 118.700 -0.774 0.000 2.415 582 N HA 0.048 4.788 4.740 -0.000 0.000 0.250 582 N C 0.565 175.771 175.510 -0.507 0.000 1.127 582 N CA 0.026 52.800 53.050 -0.459 0.000 0.945 582 N CB -0.041 38.258 38.487 -0.313 0.000 1.196 582 N HN 0.290 nan 8.380 nan 0.000 0.499 583 F N 1.804 121.782 119.950 0.047 0.000 2.146 583 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 583 F C 2.357 178.200 175.800 0.072 0.000 1.096 583 F CA 0.734 58.832 58.000 0.164 0.000 1.275 583 F CB -0.138 38.952 39.000 0.150 0.000 1.008 583 F HN 0.319 nan 8.300 nan 0.000 0.480 584 K N 0.048 120.564 120.400 0.194 0.000 2.032 584 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 584 K C 2.225 178.857 176.600 0.052 0.000 1.048 584 K CA 1.103 57.456 56.287 0.110 0.000 0.927 584 K CB -1.173 31.378 32.500 0.084 0.000 0.712 584 K HN 0.362 nan 8.250 nan 0.000 0.441 585 A N -0.505 122.305 122.820 -0.017 0.000 2.218 585 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 585 A C 0.682 178.206 177.584 -0.100 0.000 1.168 585 A CA 0.610 52.616 52.037 -0.053 0.000 0.804 585 A CB -0.194 18.769 19.000 -0.061 0.000 0.834 585 A HN 0.540 nan 8.150 nan 0.000 0.482 586 R N -1.082 119.338 120.500 -0.134 0.000 3.423 586 R HA -0.181 4.159 4.340 -0.000 0.000 0.271 586 R C -0.361 175.777 176.300 -0.270 0.000 1.093 586 R CA 1.393 57.485 56.100 -0.012 0.000 0.730 586 R CB -2.346 28.039 30.300 0.141 0.000 1.190 586 R HN 0.837 nan 8.270 nan 0.000 0.437 587 K N -2.569 117.251 120.400 -0.967 0.000 2.548 587 K HA 0.644 4.964 4.320 -0.000 0.000 0.282 587 K C -3.229 172.481 176.600 -1.482 0.000 1.006 587 K CA -2.401 53.227 56.287 -1.098 0.000 0.892 587 K CB 2.430 34.690 32.500 -0.400 0.000 1.499 587 K HN -0.286 nan 8.250 nan 0.000 0.433 588 P HA 0.167 nan 4.420 nan 0.000 0.274 588 P C -0.411 176.810 177.300 -0.132 0.000 1.256 588 P CA -0.523 62.355 63.100 -0.371 0.000 0.795 588 P CB 0.552 32.242 31.700 -0.017 0.000 1.038 589 K N -0.037 120.348 120.400 -0.025 0.000 2.354 589 K HA 0.166 4.486 4.320 -0.000 0.000 0.194 589 K C 0.950 177.476 176.600 -0.124 0.000 1.045 589 K CA 0.532 56.819 56.287 0.000 0.000 1.026 589 K CB -0.237 32.318 32.500 0.091 0.000 0.866 589 K HN 0.804 nan 8.250 nan 0.000 0.530 590 G N 2.566 111.345 108.800 -0.034 0.000 2.305 590 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.287 590 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.287 590 G C -0.151 174.722 174.900 -0.044 0.000 1.036 590 G CA -0.009 45.044 45.100 -0.078 0.000 0.887 590 G HN 0.363 nan 8.290 nan 0.000 0.505 591 F N 0.512 120.419 119.950 -0.071 0.000 2.538 591 F HA 0.435 4.962 4.527 -0.000 0.000 0.371 591 F C 1.484 177.258 175.800 -0.043 0.000 1.087 591 F CA 1.640 59.613 58.000 -0.045 0.000 1.250 591 F CB 0.760 39.760 39.000 0.000 0.000 1.110 591 F HN 0.807 nan 8.300 nan 0.000 0.570 592 G N 3.335 111.833 108.800 -0.503 0.000 2.436 592 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.204 592 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.204 592 G C 0.779 175.563 174.900 -0.193 0.000 1.026 592 G CA -0.046 44.916 45.100 -0.230 0.000 0.658 592 G HN 0.640 nan 8.290 nan 0.000 0.499 593 V N 1.710 121.519 119.914 -0.174 0.000 2.255 593 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 593 V C 2.885 178.824 176.094 -0.259 0.000 1.051 593 V CA 2.993 65.200 62.300 -0.156 0.000 1.018 593 V CB -0.624 31.113 31.823 -0.144 0.000 0.641 593 V HN 0.494 nan 8.190 nan 0.000 0.445 594 R N -0.584 119.725 120.500 -0.319 0.000 2.075 594 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 594 R C 2.260 178.419 176.300 -0.236 0.000 1.126 594 R CA 1.542 57.403 56.100 -0.398 0.000 0.963 594 R CB -0.603 29.587 30.300 -0.183 0.000 0.858 594 R HN 0.436 nan 8.270 nan 0.000 0.435 595 L N 1.196 122.289 121.223 -0.216 0.000 2.012 595 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 595 L C 1.923 178.764 176.870 -0.048 0.000 1.073 595 L CA 1.753 56.508 54.840 -0.142 0.000 0.748 595 L CB -0.359 41.570 42.059 -0.216 0.000 0.891 595 L HN 0.136 nan 8.230 nan 0.000 0.431 596 L N -1.085 120.105 121.223 -0.054 0.000 2.141 596 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 596 L C 2.284 179.215 176.870 0.102 0.000 1.094 596 L CA 1.577 56.449 54.840 0.053 0.000 0.763 596 L CB -0.910 41.177 42.059 0.047 0.000 0.908 596 L HN 0.342 nan 8.230 nan 0.000 0.437 597 T N -1.448 113.086 114.554 -0.034 0.000 2.851 597 T HA -0.095 4.255 4.350 -0.000 0.000 0.262 597 T C 1.766 176.497 174.700 0.052 0.000 1.043 597 T CA 0.702 62.773 62.100 -0.048 0.000 1.140 597 T CB -0.044 68.642 68.868 -0.303 0.000 0.872 597 T HN 0.233 nan 8.240 nan 0.000 0.446 598 E N 0.905 121.150 120.200 0.074 0.000 2.118 598 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 598 E C 1.865 178.525 176.600 0.099 0.000 0.992 598 E CA 0.885 57.364 56.400 0.132 0.000 0.804 598 E CB -0.437 29.340 29.700 0.129 0.000 0.741 598 E HN 0.515 nan 8.360 nan 0.000 0.458 599 F N 1.526 121.456 119.950 -0.033 0.000 2.069 599 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 599 F C 2.266 178.051 175.800 -0.024 0.000 1.113 599 F CA 1.203 59.171 58.000 -0.054 0.000 1.214 599 F CB -0.450 38.501 39.000 -0.082 0.000 0.978 599 F HN -0.210 nan 8.300 nan 0.000 0.474 600 V N 0.193 119.998 119.914 -0.183 0.000 2.343 600 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 600 V C 2.409 178.411 176.094 -0.152 0.000 1.051 600 V CA 1.624 63.794 62.300 -0.217 0.000 1.036 600 V CB -0.761 31.054 31.823 -0.013 0.000 0.654 600 V HN 0.315 nan 8.190 nan 0.000 0.451 601 L N 1.025 122.211 121.223 -0.062 0.000 2.027 601 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 601 L C 2.499 179.340 176.870 -0.047 0.000 1.074 601 L CA 2.464 57.290 54.840 -0.023 0.000 0.745 601 L CB -1.438 40.652 42.059 0.051 0.000 0.898 601 L HN 0.548 nan 8.230 nan 0.000 0.433 602 N N -1.385 117.276 118.700 -0.065 0.000 2.398 602 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 602 N C 0.891 176.345 175.510 -0.093 0.000 1.122 602 N CA 0.507 53.523 53.050 -0.057 0.000 0.866 602 N CB -0.573 37.899 38.487 -0.026 0.000 0.970 602 N HN 0.431 nan 8.380 nan 0.000 0.462 603 D N 0.000 120.302 120.400 -0.164 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.907 54.000 -0.154 0.000 0.868 603 D CB 0.000 40.656 40.800 -0.239 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683