REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kr4_1_G 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 DKNXXMEYIK 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 0.000 174.635 174.600 0.058 0.000 1.055 86 S CA 0.000 58.238 58.200 0.064 0.000 1.107 86 S CB 0.000 63.244 63.200 0.073 0.000 0.593 87 E N 0.813 121.046 120.200 0.055 0.000 2.324 87 E HA 0.483 4.833 4.350 -0.000 0.000 0.271 87 E C -0.162 176.480 176.600 0.070 0.000 1.028 87 E CA -0.414 56.019 56.400 0.053 0.000 0.890 87 E CB 0.342 30.068 29.700 0.043 0.000 1.004 87 E HN 0.535 nan 8.360 nan 0.000 0.431 88 V N 6.299 126.258 119.914 0.074 0.000 2.470 88 V HA 0.263 4.383 4.120 -0.000 0.000 0.276 88 V C -1.626 174.536 176.094 0.114 0.000 1.040 88 V CA -1.095 61.273 62.300 0.113 0.000 1.008 88 V CB 0.883 32.758 31.823 0.085 0.000 0.990 88 V HN 0.828 nan 8.190 nan 0.000 0.477 89 P HA 0.306 nan 4.420 nan 0.000 0.274 89 P C -0.935 176.393 177.300 0.047 0.000 1.231 89 P CA -0.441 62.688 63.100 0.047 0.000 0.790 89 P CB 0.952 32.633 31.700 -0.032 0.000 0.951 90 Q N 0.199 119.999 119.800 0.000 0.000 2.394 90 Q HA 0.330 4.670 4.340 -0.000 0.000 0.273 90 Q C 0.586 176.562 176.000 -0.039 0.000 1.089 90 Q CA -0.963 54.837 55.803 -0.006 0.000 0.812 90 Q CB 2.422 31.159 28.738 -0.003 0.000 1.353 90 Q HN 0.057 nan 8.270 nan 0.000 0.438 91 V N 0.315 120.202 119.914 -0.045 0.000 2.492 91 V HA 0.033 4.153 4.120 -0.000 0.000 0.241 91 V C 0.649 176.722 176.094 -0.035 0.000 1.041 91 V CA 0.631 62.901 62.300 -0.050 0.000 1.057 91 V CB 0.526 32.314 31.823 -0.058 0.000 0.711 91 V HN 0.636 nan 8.190 nan 0.000 0.468 92 V N -2.069 117.826 119.914 -0.031 0.000 3.046 92 V HA 0.582 4.702 4.120 -0.000 0.000 0.316 92 V C 1.192 177.273 176.094 -0.022 0.000 1.104 92 V CA 0.136 62.421 62.300 -0.025 0.000 1.006 92 V CB 1.402 33.211 31.823 -0.025 0.000 1.058 92 V HN 0.256 nan 8.190 nan 0.000 0.440 93 S N 0.911 116.601 115.700 -0.016 0.000 2.474 93 S HA 0.012 4.482 4.470 -0.000 0.000 0.235 93 S C 1.350 175.941 174.600 -0.015 0.000 0.997 93 S CA 1.137 59.330 58.200 -0.012 0.000 0.949 93 S CB -0.739 62.457 63.200 -0.006 0.000 0.766 93 S HN 0.720 nan 8.310 nan 0.000 0.517 94 L N 0.946 122.157 121.223 -0.019 0.000 2.554 94 L HA 0.185 4.525 4.340 -0.000 0.000 0.226 94 L C 0.066 176.906 176.870 -0.050 0.000 1.137 94 L CA 0.034 54.860 54.840 -0.023 0.000 0.863 94 L CB -0.513 41.536 42.059 -0.016 0.000 0.985 94 L HN 0.187 nan 8.230 nan 0.000 0.451 95 D N 2.278 122.644 120.400 -0.057 0.000 2.425 95 D HA 0.125 4.765 4.640 -0.000 0.000 0.247 95 D C -1.958 174.268 176.300 -0.123 0.000 1.147 95 D CA -1.061 52.882 54.000 -0.096 0.000 0.879 95 D CB 0.884 41.652 40.800 -0.053 0.000 1.179 95 D HN 0.013 nan 8.370 nan 0.000 0.456 96 P HA 0.070 nan 4.420 nan 0.000 0.274 96 P C 0.337 177.570 177.300 -0.112 0.000 1.231 96 P CA -0.205 62.753 63.100 -0.237 0.000 0.790 96 P CB 0.688 31.998 31.700 -0.650 0.000 0.951 97 T N -3.113 111.426 114.554 -0.025 0.000 3.145 97 T HA 0.331 4.681 4.350 -0.000 0.000 0.281 97 T C 0.325 175.047 174.700 0.038 0.000 1.003 97 T CA -0.223 61.885 62.100 0.013 0.000 0.901 97 T CB -0.535 68.347 68.868 0.023 0.000 1.112 97 T HN 0.605 nan 8.240 nan 0.000 0.535 98 S N 0.367 116.108 115.700 0.067 0.000 2.587 98 S HA 0.647 5.117 4.470 -0.000 0.000 0.269 98 S C -1.240 173.462 174.600 0.171 0.000 1.154 98 S CA -1.217 57.038 58.200 0.092 0.000 0.824 98 S CB 0.610 63.859 63.200 0.081 0.000 1.118 98 S HN 0.292 nan 8.310 nan 0.000 0.462 99 I N 2.642 123.293 120.570 0.135 0.000 2.371 99 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 99 I C -2.022 174.136 176.117 0.069 0.000 1.028 99 I CA -2.047 59.346 61.300 0.155 0.000 1.345 99 I CB 0.937 38.974 38.000 0.063 0.000 1.407 99 I HN 0.498 nan 8.210 nan 0.000 0.501 100 P HA 0.296 nan 4.420 nan 0.000 0.271 100 P C -0.800 176.399 177.300 -0.169 0.000 1.216 100 P CA 0.136 63.168 63.100 -0.114 0.000 0.771 100 P CB 1.122 32.648 31.700 -0.291 0.000 0.864 101 I N 1.468 121.949 120.570 -0.148 0.000 2.569 101 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 101 I C 0.159 176.136 176.117 -0.233 0.000 1.088 101 I CA -0.728 60.419 61.300 -0.255 0.000 1.047 101 I CB 2.680 40.477 38.000 -0.338 0.000 1.237 101 I HN 0.371 nan 8.210 nan 0.000 0.421 102 E N 4.922 125.012 120.200 -0.184 0.000 2.109 102 E HA 0.288 4.638 4.350 -0.000 0.000 0.278 102 E C -0.726 175.880 176.600 0.010 0.000 0.954 102 E CA -0.222 56.160 56.400 -0.030 0.000 0.779 102 E CB 0.960 30.698 29.700 0.064 0.000 1.093 102 E HN 0.493 nan 8.360 nan 0.000 0.401 103 Y N 2.302 122.643 120.300 0.069 0.000 2.396 103 Y HA 0.106 4.656 4.550 -0.000 0.000 0.292 103 Y C 0.775 176.444 175.900 -0.385 0.000 1.128 103 Y CA -0.117 57.888 58.100 -0.158 0.000 1.194 103 Y CB 0.432 38.768 38.460 -0.207 0.000 1.124 103 Y HN 0.408 nan 8.280 nan 0.000 0.543 104 N N 1.887 120.559 118.700 -0.048 0.000 2.555 104 N HA 0.077 4.817 4.740 -0.000 0.000 0.244 104 N C -0.184 175.329 175.510 0.006 0.000 1.114 104 N CA 0.177 53.156 53.050 -0.119 0.000 0.963 104 N CB 0.599 39.029 38.487 -0.095 0.000 1.276 104 N HN 0.237 nan 8.380 nan 0.000 0.510 105 T N -1.292 113.366 114.554 0.173 0.000 2.902 105 T HA 0.369 4.719 4.350 -0.000 0.000 0.280 105 T C -1.707 172.914 174.700 -0.132 0.000 0.992 105 T CA -1.780 60.352 62.100 0.054 0.000 1.015 105 T CB 2.068 71.002 68.868 0.110 0.000 1.044 105 T HN -0.020 nan 8.240 nan 0.000 0.520 106 P HA -0.049 nan 4.420 nan 0.000 0.218 106 P C 1.713 178.700 177.300 -0.521 0.000 1.148 106 P CA 0.556 63.323 63.100 -0.555 0.000 0.822 106 P CB -0.128 30.841 31.700 -1.218 0.000 0.784 107 I N -0.780 119.421 120.570 -0.614 0.000 2.194 107 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 107 I C 2.023 177.772 176.117 -0.613 0.000 1.093 107 I CA 1.939 62.818 61.300 -0.702 0.000 1.355 107 I CB -2.002 35.330 38.000 -1.113 0.000 1.046 107 I HN 0.178 nan 8.210 nan 0.000 0.413 108 H N 0.693 119.588 119.070 -0.293 0.000 2.489 108 H HA -0.122 4.434 4.556 -0.000 0.000 0.293 108 H C 1.575 176.784 175.328 -0.198 0.000 1.066 108 H CA 1.298 57.219 56.048 -0.212 0.000 1.305 108 H CB -0.086 29.585 29.762 -0.152 0.000 1.386 108 H HN 0.359 nan 8.280 nan 0.000 0.551 109 D N 0.301 120.628 120.400 -0.122 0.000 2.317 109 D HA 0.001 4.641 4.640 -0.000 0.000 0.211 109 D C 0.404 176.612 176.300 -0.154 0.000 0.966 109 D CA 0.348 54.275 54.000 -0.122 0.000 0.876 109 D CB 0.090 40.815 40.800 -0.126 0.000 0.927 109 D HN 0.360 nan 8.370 nan 0.000 0.519 110 I N 1.647 122.099 120.570 -0.198 0.000 2.598 110 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 110 I C 0.731 176.781 176.117 -0.112 0.000 1.140 110 I CA 0.195 61.394 61.300 -0.167 0.000 1.420 110 I CB 0.474 38.380 38.000 -0.156 0.000 1.387 110 I HN -0.427 nan 8.210 nan 0.000 0.553 111 K N 5.726 126.080 120.400 -0.075 0.000 2.276 111 K HA 0.454 4.774 4.320 -0.000 0.000 0.285 111 K C -0.897 175.753 176.600 0.084 0.000 1.062 111 K CA -0.514 55.788 56.287 0.026 0.000 0.918 111 K CB 1.530 34.097 32.500 0.113 0.000 1.055 111 K HN 0.333 nan 8.250 nan 0.000 0.477 112 V N 4.108 124.061 119.914 0.066 0.000 2.435 112 V HA 0.205 4.325 4.120 -0.000 0.000 0.290 112 V C -0.208 175.890 176.094 0.007 0.000 1.030 112 V CA -0.796 61.552 62.300 0.080 0.000 0.881 112 V CB 1.458 33.358 31.823 0.129 0.000 0.983 112 V HN 0.662 nan 8.190 nan 0.000 0.445 113 Q N 3.188 122.951 119.800 -0.061 0.000 2.340 113 Q HA 0.609 4.949 4.340 -0.000 0.000 0.268 113 Q C -1.232 174.464 176.000 -0.506 0.000 1.031 113 Q CA -0.553 55.060 55.803 -0.317 0.000 0.804 113 Q CB 2.831 31.342 28.738 -0.378 0.000 1.286 113 Q HN 0.538 nan 8.270 nan 0.000 0.448 114 V N 3.486 123.065 119.914 -0.559 0.000 2.417 114 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 114 V C -1.089 174.631 176.094 -0.623 0.000 1.024 114 V CA -0.641 61.394 62.300 -0.440 0.000 0.861 114 V CB 0.892 32.605 31.823 -0.184 0.000 0.985 114 V HN 0.611 nan 8.190 nan 0.000 0.436 115 Y N 1.259 121.368 120.300 -0.319 0.000 2.499 115 Y HA 0.437 4.987 4.550 -0.000 0.000 0.347 115 Y C 0.177 175.956 175.900 -0.202 0.000 0.987 115 Y CA -0.968 56.923 58.100 -0.347 0.000 1.044 115 Y CB 1.520 39.527 38.460 -0.754 0.000 1.245 115 Y HN 0.529 nan 8.280 nan 0.000 0.461 116 D N 2.382 122.835 120.400 0.089 0.000 2.312 116 D HA 0.142 4.782 4.640 -0.000 0.000 0.252 116 D C 1.049 177.462 176.300 0.189 0.000 1.150 116 D CA 0.302 54.359 54.000 0.095 0.000 0.870 116 D CB 1.115 41.955 40.800 0.067 0.000 1.153 116 D HN 0.688 nan 8.370 nan 0.000 0.457 117 I N 3.561 124.252 120.570 0.202 0.000 2.399 117 I HA -0.284 3.886 4.170 -0.000 0.000 0.254 117 I C 2.215 178.425 176.117 0.154 0.000 1.146 117 I CA 0.989 62.429 61.300 0.234 0.000 1.412 117 I CB 0.011 38.113 38.000 0.170 0.000 1.076 117 I HN 0.384 nan 8.210 nan 0.000 0.432 118 K N 0.402 120.870 120.400 0.112 0.000 2.211 118 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 118 K C 1.925 178.572 176.600 0.079 0.000 1.047 118 K CA 1.372 57.707 56.287 0.080 0.000 0.935 118 K CB -0.354 32.183 32.500 0.061 0.000 0.728 118 K HN 0.449 nan 8.250 nan 0.000 0.452 119 G N 0.576 109.438 108.800 0.104 0.000 2.813 119 G HA2 0.236 4.196 3.960 -0.000 0.000 0.209 119 G HA3 0.236 4.196 3.960 -0.000 0.000 0.209 119 G C 0.400 175.351 174.900 0.086 0.000 1.150 119 G CA 0.300 45.455 45.100 0.091 0.000 0.785 119 G HN 0.465 nan 8.290 nan 0.000 0.535 120 G N -1.660 107.197 108.800 0.094 0.000 2.712 120 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 120 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 120 G C -0.289 174.599 174.900 -0.019 0.000 1.321 120 G CA -0.568 44.551 45.100 0.032 0.000 0.813 120 G HN 0.701 nan 8.290 nan 0.000 0.599 121 C N 1.257 120.422 119.300 -0.225 0.000 2.330 121 C HA 0.556 5.016 4.460 -0.000 0.000 0.344 121 C C 0.836 175.668 174.990 -0.263 0.000 1.273 121 C CA -0.778 57.877 59.018 -0.605 0.000 1.879 121 C CB 0.049 27.289 27.740 -0.833 0.000 2.376 121 C HN 0.691 nan 8.230 nan 0.000 0.534 122 N N 0.868 119.464 118.700 -0.174 0.000 2.472 122 N HA 0.456 5.196 4.740 -0.000 0.000 0.277 122 N C -1.082 174.372 175.510 -0.093 0.000 1.081 122 N CA -0.344 52.654 53.050 -0.088 0.000 0.973 122 N CB 1.197 39.651 38.487 -0.055 0.000 1.105 122 N HN 0.441 nan 8.380 nan 0.000 0.470 123 V N 2.417 122.292 119.914 -0.065 0.000 2.304 123 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 123 V C -0.088 175.980 176.094 -0.044 0.000 1.018 123 V CA -0.197 62.070 62.300 -0.054 0.000 0.814 123 V CB 0.932 32.733 31.823 -0.036 0.000 1.021 123 V HN 0.794 nan 8.190 nan 0.000 0.440 124 E N 2.014 122.192 120.200 -0.036 0.000 4.106 124 E HA 0.346 4.696 4.350 -0.000 0.000 0.167 124 E C -0.224 176.359 176.600 -0.029 0.000 1.009 124 E CA -0.805 55.575 56.400 -0.033 0.000 1.003 124 E CB 0.520 30.206 29.700 -0.023 0.000 1.840 124 E HN 0.704 nan 8.360 nan 0.000 0.386 125 E N 1.180 121.371 120.200 -0.015 0.000 2.428 125 E HA 0.255 4.605 4.350 -0.000 0.000 0.257 125 E C 0.701 177.307 176.600 0.010 0.000 1.197 125 E CA 0.592 56.990 56.400 -0.003 0.000 0.974 125 E CB 0.445 30.151 29.700 0.010 0.000 0.976 125 E HN 0.627 nan 8.360 nan 0.000 0.463 126 G N 0.187 108.999 108.800 0.020 0.000 2.498 126 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.245 126 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.245 126 G C -1.054 173.852 174.900 0.010 0.000 1.204 126 G CA 0.085 45.202 45.100 0.029 0.000 0.933 126 G HN 0.822 nan 8.290 nan 0.000 0.574 127 L N 0.258 121.482 121.223 0.002 0.000 2.386 127 L HA 0.801 5.141 4.340 -0.000 0.000 0.271 127 L C 0.055 176.899 176.870 -0.044 0.000 0.993 127 L CA -0.108 54.720 54.840 -0.020 0.000 0.819 127 L CB 2.259 44.303 42.059 -0.026 0.000 1.294 127 L HN 0.850 nan 8.230 nan 0.000 0.414 128 T N 6.181 120.698 114.554 -0.061 0.000 2.772 128 T HA 0.610 4.960 4.350 -0.000 0.000 0.288 128 T C -0.498 174.120 174.700 -0.138 0.000 0.994 128 T CA -0.245 61.788 62.100 -0.113 0.000 0.951 128 T CB 0.732 69.530 68.868 -0.117 0.000 0.933 128 T HN 0.291 nan 8.240 nan 0.000 0.447 129 I N 3.874 124.319 120.570 -0.208 0.000 2.389 129 I HA 0.413 4.583 4.170 -0.000 0.000 0.288 129 I C -0.526 175.448 176.117 -0.238 0.000 0.999 129 I CA -1.171 60.032 61.300 -0.161 0.000 1.129 129 I CB 1.024 38.921 38.000 -0.173 0.000 1.288 129 I HN 0.548 nan 8.210 nan 0.000 0.444 130 F N 5.927 125.846 119.950 -0.051 0.000 2.410 130 F HA 0.358 4.885 4.527 -0.000 0.000 0.348 130 F C 0.513 176.280 175.800 -0.054 0.000 1.106 130 F CA -0.440 57.536 58.000 -0.040 0.000 1.163 130 F CB 0.770 39.782 39.000 0.020 0.000 1.129 130 F HN 0.148 nan 8.300 nan 0.000 0.516 131 L N 5.557 126.766 121.223 -0.024 0.000 2.259 131 L HA 0.515 4.854 4.340 -0.000 0.000 0.288 131 L C -0.484 176.397 176.870 0.018 0.000 1.051 131 L CA -0.845 53.945 54.840 -0.084 0.000 0.824 131 L CB 0.356 42.187 42.059 -0.380 0.000 1.206 131 L HN 0.413 nan 8.230 nan 0.000 0.429 132 V N 0.553 120.518 119.914 0.086 0.000 2.680 132 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 132 V C -0.597 175.532 176.094 0.057 0.000 1.052 132 V CA -0.619 61.720 62.300 0.065 0.000 0.908 132 V CB 1.832 33.668 31.823 0.023 0.000 1.001 132 V HN 0.810 nan 8.190 nan 0.000 0.431 133 N N 1.969 120.694 118.700 0.042 0.000 2.966 133 N HA 0.565 5.305 4.740 -0.000 0.000 0.314 133 N C -1.115 174.412 175.510 0.028 0.000 1.397 133 N CA -0.825 52.251 53.050 0.044 0.000 0.776 133 N CB 1.551 40.068 38.487 0.050 0.000 1.576 133 N HN 0.717 nan 8.380 nan 0.000 0.592 134 N N -0.666 118.052 118.700 0.030 0.000 2.701 134 N HA 0.362 5.102 4.740 -0.000 0.000 0.258 134 N C -3.118 172.407 175.510 0.025 0.000 1.262 134 N CA -1.053 52.009 53.050 0.021 0.000 0.780 134 N CB 1.199 39.693 38.487 0.012 0.000 1.380 134 N HN 0.379 nan 8.380 nan 0.000 0.548 135 P HA 0.287 nan 4.420 nan 0.000 0.264 135 P C 0.704 178.018 177.300 0.023 0.000 1.193 135 P CA 0.655 63.771 63.100 0.028 0.000 0.763 135 P CB 0.803 32.520 31.700 0.028 0.000 0.810 136 G N 1.092 109.906 108.800 0.024 0.000 1.894 136 G HA2 0.242 4.202 3.960 -0.000 0.000 0.076 136 G HA3 0.242 4.202 3.960 -0.000 0.000 0.076 136 G C 0.034 174.946 174.900 0.020 0.000 0.954 136 G CA 0.844 45.956 45.100 0.020 0.000 1.214 136 G HN 0.669 nan 8.290 nan 0.000 0.409 137 K N -1.193 119.217 120.400 0.018 0.000 3.181 137 K HA 0.386 4.706 4.320 -0.000 0.000 0.269 137 K C 0.773 177.387 176.600 0.024 0.000 1.097 137 K CA 2.459 58.757 56.287 0.017 0.000 0.783 137 K CB -2.780 29.729 32.500 0.014 0.000 1.267 137 K HN 2.616 nan 8.250 nan 0.000 0.484 138 E N 1.647 121.862 120.200 0.025 0.000 2.480 138 E HA 0.391 4.741 4.350 -0.000 0.000 0.258 138 E C 0.907 177.527 176.600 0.033 0.000 0.984 138 E CA 0.169 56.587 56.400 0.030 0.000 0.930 138 E CB -0.112 29.605 29.700 0.027 0.000 0.936 138 E HN 1.278 nan 8.360 nan 0.000 0.466 139 N N 0.531 119.256 118.700 0.042 0.000 2.708 139 N HA -0.126 4.614 4.740 -0.000 0.000 0.249 139 N C 0.588 176.124 175.510 0.044 0.000 1.097 139 N CA 1.219 54.300 53.050 0.051 0.000 0.710 139 N CB -1.662 36.855 38.487 0.050 0.000 1.032 139 N HN 1.066 nan 8.380 nan 0.000 0.551 140 G N 0.235 109.056 108.800 0.034 0.000 2.684 140 G HA2 0.364 4.324 3.960 -0.000 0.000 0.255 140 G HA3 0.364 4.324 3.960 -0.000 0.000 0.255 140 G C -2.177 172.734 174.900 0.019 0.000 1.219 140 G CA -0.633 44.479 45.100 0.021 0.000 0.901 140 G HN 0.077 nan 8.290 nan 0.000 0.548 141 P HA 0.141 nan 4.420 nan 0.000 0.271 141 P C -0.037 177.239 177.300 -0.039 0.000 1.218 141 P CA -0.313 62.778 63.100 -0.015 0.000 0.780 141 P CB 1.087 32.766 31.700 -0.035 0.000 0.901 142 V N 4.020 123.894 119.914 -0.068 0.000 2.521 142 V HA 0.063 4.183 4.120 -0.000 0.000 0.286 142 V C 0.865 176.892 176.094 -0.112 0.000 1.034 142 V CA 0.629 62.838 62.300 -0.152 0.000 1.045 142 V CB -0.478 31.154 31.823 -0.319 0.000 0.974 142 V HN 0.479 nan 8.190 nan 0.000 0.480 143 K N 5.278 125.614 120.400 -0.107 0.000 2.507 143 K HA 0.526 4.846 4.320 -0.000 0.000 0.252 143 K C -1.224 175.311 176.600 -0.109 0.000 0.943 143 K CA -0.714 55.517 56.287 -0.093 0.000 0.808 143 K CB 1.927 34.390 32.500 -0.062 0.000 1.142 143 K HN 0.408 nan 8.250 nan 0.000 0.426 144 I N 3.284 123.763 120.570 -0.152 0.000 2.312 144 I HA 0.020 4.190 4.170 -0.000 0.000 0.291 144 I C 1.407 177.454 176.117 -0.116 0.000 1.031 144 I CA 0.295 61.469 61.300 -0.209 0.000 1.293 144 I CB 0.958 38.697 38.000 -0.435 0.000 1.403 144 I HN 0.719 nan 8.210 nan 0.000 0.484 145 S N 2.988 118.662 115.700 -0.043 0.000 2.492 145 S HA 0.121 4.591 4.470 -0.000 0.000 0.218 145 S C 0.890 175.501 174.600 0.019 0.000 1.016 145 S CA -0.347 57.848 58.200 -0.009 0.000 0.916 145 S CB 0.079 63.287 63.200 0.013 0.000 0.791 145 S HN 0.531 nan 8.310 nan 0.000 0.513 146 S N 2.396 118.133 115.700 0.062 0.000 2.568 146 S HA 0.196 4.666 4.470 -0.000 0.000 0.282 146 S C -0.009 174.623 174.600 0.053 0.000 1.338 146 S CA -0.401 57.855 58.200 0.094 0.000 1.045 146 S CB 0.522 63.835 63.200 0.189 0.000 0.873 146 S HN 0.455 nan 8.310 nan 0.000 0.516 147 K N 2.160 122.584 120.400 0.040 0.000 2.379 147 K HA 0.218 4.538 4.320 -0.000 0.000 0.284 147 K C -1.161 175.447 176.600 0.012 0.000 1.044 147 K CA -0.190 56.109 56.287 0.020 0.000 0.974 147 K CB 0.289 32.801 32.500 0.020 0.000 0.962 147 K HN 0.343 nan 8.250 nan 0.000 0.474 148 V N 4.956 124.876 119.914 0.009 0.000 2.398 148 V HA 0.095 4.215 4.120 -0.000 0.000 0.286 148 V C -0.048 176.041 176.094 -0.009 0.000 1.026 148 V CA -0.965 61.336 62.300 0.003 0.000 0.868 148 V CB 1.418 33.263 31.823 0.035 0.000 0.982 148 V HN 0.751 nan 8.190 nan 0.000 0.443 149 N N 4.857 123.542 118.700 -0.025 0.000 3.193 149 N HA 0.138 4.878 4.740 -0.000 0.000 0.312 149 N C -0.406 175.098 175.510 -0.010 0.000 1.261 149 N CA 0.307 53.348 53.050 -0.014 0.000 1.208 149 N CB -0.154 38.324 38.487 -0.016 0.000 1.471 149 N HN 0.764 nan 8.380 nan 0.000 0.548 150 D N -0.230 120.168 120.400 -0.003 0.000 2.633 150 D HA 0.041 4.681 4.640 -0.000 0.000 0.198 150 D C 0.213 176.518 176.300 0.010 0.000 1.273 150 D CA -0.295 53.706 54.000 0.002 0.000 0.830 150 D CB 1.204 42.003 40.800 -0.002 0.000 1.771 150 D HN -0.093 nan 8.370 nan 0.000 0.547 151 K N 1.267 121.675 120.400 0.012 0.000 2.025 151 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 151 K C 1.945 178.561 176.600 0.027 0.000 1.049 151 K CA 1.092 57.388 56.287 0.015 0.000 0.933 151 K CB 0.213 32.720 32.500 0.013 0.000 0.714 151 K HN 0.380 nan 8.250 nan 0.000 0.438 152 Q N 0.423 120.245 119.800 0.036 0.000 2.061 152 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 152 Q C 2.318 178.364 176.000 0.076 0.000 0.984 152 Q CA 1.387 57.226 55.803 0.060 0.000 0.846 152 Q CB -0.512 28.268 28.738 0.069 0.000 0.902 152 Q HN 0.155 nan 8.270 nan 0.000 0.421 153 V N 0.874 120.815 119.914 0.044 0.000 2.358 153 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 153 V C 2.383 178.512 176.094 0.058 0.000 1.047 153 V CA 1.811 64.134 62.300 0.038 0.000 1.035 153 V CB -0.750 31.076 31.823 0.004 0.000 0.658 153 V HN 0.262 nan 8.190 nan 0.000 0.452 154 S N -0.099 115.620 115.700 0.031 0.000 2.370 154 S HA -0.282 4.188 4.470 -0.000 0.000 0.226 154 S C 2.030 176.639 174.600 0.015 0.000 1.033 154 S CA 1.911 60.117 58.200 0.011 0.000 1.011 154 S CB -0.343 62.858 63.200 0.001 0.000 0.852 154 S HN 0.720 nan 8.310 nan 0.000 0.457 155 E N 1.234 121.452 120.200 0.030 0.000 2.051 155 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 155 E C 1.681 178.291 176.600 0.017 0.000 0.991 155 E CA 1.275 57.682 56.400 0.012 0.000 0.799 155 E CB -0.580 29.130 29.700 0.017 0.000 0.748 155 E HN 0.522 nan 8.360 nan 0.000 0.449 156 F N 0.354 120.256 119.950 -0.079 0.000 2.126 156 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 156 F C 1.548 177.242 175.800 -0.176 0.000 1.096 156 F CA 1.249 59.178 58.000 -0.119 0.000 1.255 156 F CB 0.120 39.053 39.000 -0.112 0.000 0.997 156 F HN 0.031 nan 8.300 nan 0.000 0.479 157 L N 1.029 122.334 121.223 0.137 0.000 2.629 157 L HA 0.049 4.389 4.340 -0.000 0.000 0.230 157 L C 0.722 177.544 176.870 -0.079 0.000 1.151 157 L CA -0.273 54.571 54.840 0.005 0.000 0.924 157 L CB -0.919 41.082 42.059 -0.096 0.000 1.137 157 L HN 0.058 nan 8.230 nan 0.000 0.457 158 K N -1.176 119.175 120.400 -0.083 0.000 2.276 158 K HA 0.017 4.337 4.320 -0.000 0.000 0.259 158 K C 0.079 176.614 176.600 -0.108 0.000 1.001 158 K CA -0.443 55.789 56.287 -0.091 0.000 0.927 158 K CB 0.925 33.374 32.500 -0.084 0.000 0.969 158 K HN -0.179 nan 8.250 nan 0.000 0.490 159 D N 1.245 121.588 120.400 -0.094 0.000 2.133 159 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 159 D C 1.654 177.886 176.300 -0.113 0.000 0.997 159 D CA 1.752 55.695 54.000 -0.095 0.000 0.840 159 D CB -0.134 40.621 40.800 -0.076 0.000 0.947 159 D HN 0.829 nan 8.370 nan 0.000 0.452 160 E N 0.205 120.336 120.200 -0.115 0.000 2.085 160 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 160 E C 1.554 178.047 176.600 -0.179 0.000 0.994 160 E CA 1.163 57.484 56.400 -0.130 0.000 0.801 160 E CB 0.142 29.772 29.700 -0.117 0.000 0.743 160 E HN 0.166 nan 8.360 nan 0.000 0.453 161 N N -0.303 118.273 118.700 -0.206 0.000 2.300 161 N HA -0.080 4.660 4.740 -0.000 0.000 0.179 161 N C 1.557 176.902 175.510 -0.275 0.000 1.016 161 N CA 0.926 53.807 53.050 -0.282 0.000 0.876 161 N CB -0.052 38.207 38.487 -0.380 0.000 0.979 161 N HN 0.282 nan 8.380 nan 0.000 0.432 162 M N 1.044 120.543 119.600 -0.168 0.000 2.447 162 M HA -0.011 4.469 4.480 -0.000 0.000 0.264 162 M C 1.819 178.048 176.300 -0.117 0.000 1.095 162 M CA 0.666 55.938 55.300 -0.046 0.000 1.125 162 M CB -0.670 31.910 32.600 -0.034 0.000 1.389 162 M HN 0.304 nan 8.290 nan 0.000 0.459 163 E N 1.474 121.573 120.200 -0.169 0.000 2.338 163 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 163 E C 1.491 177.973 176.600 -0.197 0.000 1.007 163 E CA 0.944 57.257 56.400 -0.144 0.000 0.849 163 E CB -0.470 29.158 29.700 -0.120 0.000 0.774 163 E HN 0.587 nan 8.360 nan 0.000 0.506 164 K N 0.316 120.485 120.400 -0.385 0.000 2.486 164 K HA 0.008 4.328 4.320 -0.000 0.000 0.194 164 K C -0.411 175.918 176.600 -0.452 0.000 1.033 164 K CA 0.162 56.169 56.287 -0.466 0.000 1.004 164 K CB -0.032 32.102 32.500 -0.609 0.000 0.798 164 K HN -0.008 nan 8.250 nan 0.000 0.495 165 F N 2.190 122.164 119.950 0.040 0.000 2.507 165 F HA 0.314 4.841 4.527 -0.000 0.000 0.327 165 F C 0.209 176.032 175.800 0.039 0.000 1.068 165 F CA -1.608 56.453 58.000 0.102 0.000 0.965 165 F CB 1.119 40.236 39.000 0.195 0.000 1.192 165 F HN 0.090 nan 8.300 nan 0.000 0.476 166 N N -1.297 117.592 118.700 0.315 0.000 2.457 166 N HA 0.497 5.237 4.740 -0.000 0.000 0.290 166 N C -0.331 175.300 175.510 0.201 0.000 1.232 166 N CA -0.838 52.317 53.050 0.174 0.000 0.852 166 N CB 1.450 40.015 38.487 0.130 0.000 1.313 166 N HN 0.387 nan 8.380 nan 0.000 0.522 167 V N -3.541 116.448 119.914 0.126 0.000 3.577 167 V HA 0.221 4.341 4.120 -0.000 0.000 0.294 167 V C 0.736 176.914 176.094 0.140 0.000 1.317 167 V CA -0.375 62.011 62.300 0.142 0.000 1.169 167 V CB -1.460 30.406 31.823 0.072 0.000 1.011 167 V HN 0.754 nan 8.190 nan 0.000 0.426 168 K N 1.494 121.973 120.400 0.130 0.000 2.530 168 K HA -0.032 4.288 4.320 -0.000 0.000 0.280 168 K C 0.018 176.668 176.600 0.083 0.000 1.004 168 K CA -0.345 55.998 56.287 0.093 0.000 1.071 168 K CB 0.336 32.885 32.500 0.083 0.000 0.876 168 K HN 0.477 nan 8.250 nan 0.000 0.487 169 L N 5.532 126.794 121.223 0.066 0.000 2.660 169 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 169 L C 1.146 178.039 176.870 0.038 0.000 1.194 169 L CA 2.200 57.074 54.840 0.056 0.000 0.945 169 L CB -0.145 41.946 42.059 0.053 0.000 1.212 169 L HN 0.998 nan 8.230 nan 0.000 0.490 170 G N 1.948 110.762 108.800 0.024 0.000 2.195 170 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.246 170 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.246 170 G C 0.641 175.516 174.900 -0.040 0.000 0.984 170 G CA 0.270 45.366 45.100 -0.007 0.000 0.633 170 G HN 0.858 nan 8.290 nan 0.000 0.525 171 T N 1.068 115.608 114.554 -0.023 0.000 2.900 171 T HA 0.559 4.909 4.350 -0.000 0.000 0.307 171 T C 0.526 175.089 174.700 -0.228 0.000 1.065 171 T CA 1.221 63.283 62.100 -0.064 0.000 1.105 171 T CB 0.740 69.623 68.868 0.024 0.000 0.979 171 T HN 1.669 nan 8.240 nan 0.000 0.544 172 S N 2.793 118.275 115.700 -0.364 0.000 2.565 172 S HA 0.731 5.200 4.470 -0.000 0.000 0.269 172 S C -1.829 172.349 174.600 -0.702 0.000 1.153 172 S CA -1.115 56.669 58.200 -0.693 0.000 0.835 172 S CB 1.855 64.755 63.200 -0.499 0.000 1.122 172 S HN 0.585 nan 8.310 nan 0.000 0.462 173 K N 1.010 120.809 120.400 -1.002 0.000 2.502 173 K HA 0.452 4.772 4.320 -0.000 0.000 0.257 173 K C -1.691 174.364 176.600 -0.909 0.000 0.938 173 K CA -0.543 55.289 56.287 -0.757 0.000 0.819 173 K CB 1.775 33.810 32.500 -0.776 0.000 1.333 173 K HN 0.853 nan 8.250 nan 0.000 0.434 174 H N 0.485 119.217 119.070 -0.562 0.000 2.472 174 H HA 0.505 5.061 4.556 0.000 0.000 0.338 174 H C -0.774 174.378 175.328 -0.294 0.000 1.133 174 H CA -0.120 55.657 56.048 -0.453 0.000 1.216 174 H CB 0.959 30.601 29.762 -0.200 0.000 1.497 174 H HN 0.307 nan 8.280 nan 0.000 0.500 175 F N 1.376 121.358 119.950 0.052 0.000 2.563 175 F HA 0.358 4.885 4.527 -0.000 0.000 0.316 175 F C -0.896 174.878 175.800 -0.044 0.000 1.076 175 F CA -1.129 56.852 58.000 -0.032 0.000 0.921 175 F CB 1.887 40.683 39.000 -0.340 0.000 1.209 175 F HN 0.422 nan 8.300 nan 0.000 0.462 176 Y N 4.884 125.195 120.300 0.019 0.000 2.442 176 Y HA 0.726 5.276 4.550 0.000 0.000 0.344 176 Y C -0.863 174.966 175.900 -0.119 0.000 0.976 176 Y CA -1.099 56.956 58.100 -0.076 0.000 1.040 176 Y CB 1.694 40.145 38.460 -0.015 0.000 1.228 176 Y HN 0.648 nan 8.280 nan 0.000 0.451 177 M N 3.482 122.613 119.600 -0.782 0.000 3.012 177 M HA 0.499 4.979 4.480 -0.000 0.000 0.272 177 M C -2.314 173.505 176.300 -0.801 0.000 1.187 177 M CA -0.734 54.259 55.300 -0.512 0.000 0.813 177 M CB 2.104 34.563 32.600 -0.235 0.000 1.626 177 M HN 0.494 nan 8.290 nan 0.000 0.507 178 F N 2.455 122.282 119.950 -0.205 0.000 2.421 178 F HA 0.480 5.007 4.527 -0.000 0.000 0.337 178 F C 0.588 176.336 175.800 -0.086 0.000 1.105 178 F CA -0.208 57.705 58.000 -0.145 0.000 1.049 178 F CB 1.246 40.198 39.000 -0.080 0.000 1.139 178 F HN 0.753 nan 8.300 nan 0.000 0.479 179 N N 0.534 119.251 118.700 0.030 0.000 2.418 179 N HA 0.087 4.827 4.740 -0.000 0.000 0.283 179 N C 0.317 175.863 175.510 0.059 0.000 1.267 179 N CA -0.456 52.607 53.050 0.022 0.000 0.975 179 N CB 0.217 38.692 38.487 -0.020 0.000 1.167 179 N HN 0.418 nan 8.380 nan 0.000 0.581 180 D N -1.198 119.223 120.400 0.035 0.000 2.309 180 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 180 D C 0.284 176.604 176.300 0.034 0.000 0.968 180 D CA 0.913 54.933 54.000 0.033 0.000 0.882 180 D CB -0.265 40.547 40.800 0.020 0.000 0.918 180 D HN 0.504 nan 8.370 nan 0.000 0.503 181 N N 0.199 118.921 118.700 0.037 0.000 2.270 181 N HA 0.013 4.753 4.740 -0.000 0.000 0.198 181 N C 0.130 175.676 175.510 0.060 0.000 1.117 181 N CA 0.074 53.147 53.050 0.037 0.000 0.845 181 N CB 0.708 39.211 38.487 0.026 0.000 0.980 181 N HN -0.083 nan 8.380 nan 0.000 0.486 182 K N -0.260 120.196 120.400 0.094 0.000 3.512 182 K HA -0.149 4.171 4.320 -0.000 0.000 0.309 182 K C -1.048 175.715 176.600 0.271 0.000 1.350 182 K CA 0.504 56.880 56.287 0.148 0.000 0.960 182 K CB -1.817 30.721 32.500 0.063 0.000 1.290 182 K HN 0.375 nan 8.250 nan 0.000 0.454 183 N N 0.460 119.263 118.700 0.172 0.000 2.426 183 N HA 0.263 5.003 4.740 -0.000 0.000 0.275 183 N C -0.534 174.935 175.510 -0.069 0.000 1.019 183 N CA -0.141 52.973 53.050 0.107 0.000 0.941 183 N CB 1.367 39.874 38.487 0.035 0.000 1.123 183 N HN 0.219 nan 8.380 nan 0.000 0.486 184 S N 0.901 116.435 115.700 -0.278 0.000 2.537 184 S HA 0.286 4.756 4.470 -0.000 0.000 0.286 184 S C 0.152 174.460 174.600 -0.487 0.000 1.299 184 S CA -0.824 56.861 58.200 -0.859 0.000 1.067 184 S CB 0.174 62.806 63.200 -0.946 0.000 0.864 184 S HN 0.386 nan 8.310 nan 0.000 0.494 185 V N -0.232 119.360 119.914 -0.536 0.000 2.735 185 V HA 0.949 5.069 4.120 -0.000 0.000 0.310 185 V C -0.061 175.879 176.094 -0.256 0.000 1.061 185 V CA -1.026 61.102 62.300 -0.286 0.000 0.913 185 V CB 1.121 32.827 31.823 -0.195 0.000 1.005 185 V HN 1.271 nan 8.190 nan 0.000 0.428 186 A N 3.674 126.435 122.820 -0.099 0.000 2.290 186 A HA 0.907 5.227 4.320 -0.000 0.000 0.310 186 A C -0.413 177.154 177.584 -0.028 0.000 1.202 186 A CA -0.532 51.494 52.037 -0.018 0.000 0.837 186 A CB 1.159 20.193 19.000 0.056 0.000 1.139 186 A HN 1.355 nan 8.150 nan 0.000 0.509 187 V N 0.947 120.852 119.914 -0.016 0.000 3.141 187 V HA 0.966 5.086 4.120 -0.000 0.000 0.312 187 V C 0.612 176.632 176.094 -0.123 0.000 1.157 187 V CA 0.193 62.511 62.300 0.029 0.000 1.041 187 V CB 2.164 34.067 31.823 0.133 0.000 1.071 187 V HN 1.586 nan 8.190 nan 0.000 0.441 188 G N 0.291 109.008 108.800 -0.138 0.000 2.427 188 G HA2 0.638 4.598 3.960 -0.000 0.000 0.306 188 G HA3 0.638 4.598 3.960 -0.000 0.000 0.306 188 G C -2.035 172.795 174.900 -0.116 0.000 1.280 188 G CA -0.010 44.762 45.100 -0.546 0.000 0.837 188 G HN 1.479 nan 8.290 nan 0.000 0.482 189 Y N -1.905 118.181 120.300 -0.356 0.000 2.609 189 Y HA 0.778 5.328 4.550 0.000 0.000 0.336 189 Y C -1.405 174.382 175.900 -0.188 0.000 1.129 189 Y CA -1.486 56.536 58.100 -0.129 0.000 1.040 189 Y CB 1.561 40.011 38.460 -0.016 0.000 1.310 189 Y HN 0.569 nan 8.280 nan 0.000 0.460 190 V N 2.487 122.357 119.914 -0.072 0.000 2.495 190 V HA 0.712 4.832 4.120 -0.000 0.000 0.298 190 V C 0.481 176.663 176.094 0.146 0.000 1.031 190 V CA -0.423 61.796 62.300 -0.135 0.000 0.871 190 V CB 1.535 33.284 31.823 -0.123 0.000 0.988 190 V HN 1.138 nan 8.190 nan 0.000 0.432 191 G N 1.920 110.811 108.800 0.152 0.000 2.378 191 G HA2 0.295 4.255 3.960 -0.000 0.000 0.255 191 G HA3 0.295 4.255 3.960 -0.000 0.000 0.255 191 G C 0.446 175.408 174.900 0.104 0.000 1.270 191 G CA -0.143 45.087 45.100 0.216 0.000 0.876 191 G HN 0.900 nan 8.290 nan 0.000 0.521 192 C N 2.188 121.544 119.300 0.094 0.000 3.000 192 C HA 0.637 5.097 4.460 -0.000 0.000 0.286 192 C C 1.666 176.696 174.990 0.067 0.000 1.343 192 C CA 0.124 59.182 59.018 0.067 0.000 1.742 192 C CB -1.479 26.291 27.740 0.051 0.000 2.200 192 C HN 1.390 nan 8.230 nan 0.000 0.621 193 G N 1.943 110.786 108.800 0.071 0.000 2.542 193 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 193 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 193 G C 0.424 175.356 174.900 0.054 0.000 1.286 193 G CA 0.303 45.440 45.100 0.062 0.000 0.904 193 G HN 0.915 nan 8.290 nan 0.000 0.577 194 S N -1.792 113.937 115.700 0.048 0.000 2.900 194 S HA 0.546 5.016 4.470 -0.000 0.000 0.253 194 S C 0.033 174.657 174.600 0.041 0.000 1.029 194 S CA 0.665 58.890 58.200 0.041 0.000 1.096 194 S CB 0.928 64.149 63.200 0.036 0.000 1.067 194 S HN 1.289 nan 8.310 nan 0.000 0.610 195 V N 2.512 122.453 119.914 0.046 0.000 2.370 195 V HA 0.646 4.766 4.120 -0.000 0.000 0.279 195 V C 1.304 177.429 176.094 0.051 0.000 1.029 195 V CA -0.054 62.273 62.300 0.046 0.000 0.870 195 V CB 1.011 32.862 31.823 0.048 0.000 0.984 195 V HN 0.473 nan 8.190 nan 0.000 0.451 196 A N 3.555 126.404 122.820 0.049 0.000 2.066 196 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 196 A C 0.674 178.294 177.584 0.062 0.000 1.157 196 A CA 0.832 52.901 52.037 0.053 0.000 0.670 196 A CB -0.159 18.869 19.000 0.047 0.000 0.804 196 A HN 0.772 nan 8.150 nan 0.000 0.453 197 D N -0.239 120.197 120.400 0.060 0.000 2.414 197 D HA 0.500 5.140 4.640 -0.000 0.000 0.232 197 D C -0.652 175.689 176.300 0.069 0.000 1.070 197 D CA -0.114 53.925 54.000 0.066 0.000 0.839 197 D CB 1.035 41.870 40.800 0.058 0.000 1.079 197 D HN 0.170 nan 8.370 nan 0.000 0.521 198 L N 2.045 123.318 121.223 0.082 0.000 2.416 198 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 198 L C 1.106 178.019 176.870 0.073 0.000 1.161 198 L CA -0.278 54.614 54.840 0.087 0.000 0.845 198 L CB 0.648 42.775 42.059 0.113 0.000 1.119 198 L HN 0.424 nan 8.230 nan 0.000 0.464 199 S N 1.609 117.349 115.700 0.066 0.000 2.624 199 S HA 0.030 4.500 4.470 -0.000 0.000 0.263 199 S C 1.031 175.646 174.600 0.025 0.000 1.287 199 S CA -0.472 57.753 58.200 0.042 0.000 0.990 199 S CB 1.273 64.508 63.200 0.059 0.000 0.950 199 S HN 0.760 nan 8.310 nan 0.000 0.561 200 E N 1.425 121.581 120.200 -0.074 0.000 2.130 200 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 200 E C 1.900 178.555 176.600 0.092 0.000 0.998 200 E CA 1.796 58.075 56.400 -0.201 0.000 0.806 200 E CB -0.844 28.585 29.700 -0.452 0.000 0.738 200 E HN 0.789 nan 8.360 nan 0.000 0.459 201 A N 1.573 124.452 122.820 0.099 0.000 1.898 201 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 201 A C 1.926 179.592 177.584 0.136 0.000 1.181 201 A CA 1.692 53.812 52.037 0.139 0.000 0.620 201 A CB -0.443 18.631 19.000 0.124 0.000 0.819 201 A HN 0.284 nan 8.150 nan 0.000 0.442 202 D N -0.672 119.798 120.400 0.117 0.000 2.097 202 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 202 D C 1.829 178.212 176.300 0.138 0.000 0.989 202 D CA 1.821 55.886 54.000 0.110 0.000 0.827 202 D CB -0.420 40.437 40.800 0.095 0.000 0.966 202 D HN 0.418 nan 8.370 nan 0.000 0.456 203 M N 1.265 120.980 119.600 0.191 0.000 2.117 203 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 203 M C 1.887 178.329 176.300 0.235 0.000 1.065 203 M CA 1.556 57.012 55.300 0.260 0.000 1.114 203 M CB -0.160 32.677 32.600 0.395 0.000 1.361 203 M HN -0.185 nan 8.290 nan 0.000 0.408 204 K N -0.650 119.907 120.400 0.262 0.000 2.063 204 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 204 K C 2.348 178.993 176.600 0.075 0.000 1.048 204 K CA 1.631 58.010 56.287 0.153 0.000 0.928 204 K CB -0.224 32.395 32.500 0.198 0.000 0.713 204 K HN 0.357 nan 8.250 nan 0.000 0.442 205 R N 0.167 120.718 120.500 0.086 0.000 2.073 205 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 205 R C 2.142 178.459 176.300 0.028 0.000 1.134 205 R CA 1.604 57.735 56.100 0.051 0.000 0.952 205 R CB -0.243 30.091 30.300 0.057 0.000 0.850 205 R HN 0.080 nan 8.270 nan 0.000 0.433 206 V N 0.308 120.252 119.914 0.051 0.000 2.287 206 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 206 V C 2.406 178.502 176.094 0.003 0.000 1.053 206 V CA 1.799 64.121 62.300 0.036 0.000 1.027 206 V CB -0.404 31.467 31.823 0.081 0.000 0.646 206 V HN 0.179 nan 8.190 nan 0.000 0.447 207 V N -0.270 119.639 119.914 -0.008 0.000 2.287 207 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 207 V C 2.321 178.331 176.094 -0.141 0.000 1.053 207 V CA 2.084 64.303 62.300 -0.136 0.000 1.027 207 V CB -0.568 31.100 31.823 -0.257 0.000 0.646 207 V HN 0.450 nan 8.190 nan 0.000 0.447 208 L N -0.346 120.827 121.223 -0.082 0.000 2.046 208 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 208 L C 2.655 179.472 176.870 -0.089 0.000 1.077 208 L CA 1.647 56.443 54.840 -0.073 0.000 0.747 208 L CB -0.702 41.342 42.059 -0.024 0.000 0.896 208 L HN 0.321 nan 8.230 nan 0.000 0.432 209 S N 0.203 115.855 115.700 -0.080 0.000 2.365 209 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 209 S C 1.868 176.378 174.600 -0.150 0.000 1.039 209 S CA 1.525 59.662 58.200 -0.104 0.000 1.033 209 S CB -0.421 62.716 63.200 -0.105 0.000 0.887 209 S HN 0.238 nan 8.310 nan 0.000 0.447 210 L N 1.777 122.902 121.223 -0.162 0.000 2.042 210 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 210 L C 2.213 178.919 176.870 -0.274 0.000 1.076 210 L CA 1.494 56.210 54.840 -0.206 0.000 0.749 210 L CB -0.726 41.226 42.059 -0.178 0.000 0.893 210 L HN 0.137 nan 8.230 nan 0.000 0.432 211 V N -0.371 119.365 119.914 -0.296 0.000 2.407 211 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 211 V C 2.697 178.556 176.094 -0.391 0.000 1.055 211 V CA 2.048 64.097 62.300 -0.418 0.000 1.049 211 V CB -1.227 30.386 31.823 -0.349 0.000 0.662 211 V HN 0.776 nan 8.190 nan 0.000 0.455 212 T N -1.851 112.586 114.554 -0.196 0.000 2.833 212 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 212 T C 1.730 176.391 174.700 -0.064 0.000 1.054 212 T CA 1.792 63.844 62.100 -0.080 0.000 1.135 212 T CB -0.411 68.437 68.868 -0.034 0.000 0.869 212 T HN 0.431 nan 8.240 nan 0.000 0.466 213 M N 0.458 119.995 119.600 -0.105 0.000 2.319 213 M HA 0.202 4.682 4.480 -0.000 0.000 0.265 213 M C 2.269 178.532 176.300 -0.062 0.000 1.068 213 M CA 1.145 56.428 55.300 -0.029 0.000 1.118 213 M CB -0.571 31.952 32.600 -0.129 0.000 1.395 213 M HN 0.189 nan 8.290 nan 0.000 0.435 214 L N -1.125 119.975 121.223 -0.205 0.000 2.109 214 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 214 L C 0.861 177.701 176.870 -0.049 0.000 1.086 214 L CA 0.706 55.407 54.840 -0.231 0.000 0.760 214 L CB -0.677 41.028 42.059 -0.590 0.000 0.910 214 L HN 0.314 nan 8.230 nan 0.000 0.437 215 H N 0.338 119.390 119.070 -0.031 0.000 2.707 215 H HA -0.018 4.538 4.556 0.000 0.000 0.359 215 H C -0.061 175.244 175.328 -0.037 0.000 1.113 215 H CA -0.612 55.424 56.048 -0.020 0.000 1.422 215 H CB 0.626 30.375 29.762 -0.021 0.000 1.443 215 H HN 0.102 nan 8.280 nan 0.000 0.591 216 D N 1.320 121.771 120.400 0.086 0.000 2.870 216 D HA -0.218 4.422 4.640 -0.000 0.000 0.228 216 D C -0.714 175.581 176.300 -0.009 0.000 1.147 216 D CA 0.821 54.826 54.000 0.009 0.000 0.757 216 D CB -1.030 39.768 40.800 -0.003 0.000 1.091 216 D HN 0.540 nan 8.370 nan 0.000 0.429 217 N N 0.712 119.415 118.700 0.005 0.000 2.629 217 N HA 0.059 4.799 4.740 -0.000 0.000 0.277 217 N C -0.958 174.556 175.510 0.007 0.000 1.188 217 N CA -0.392 52.654 53.050 -0.008 0.000 0.835 217 N CB 0.863 39.344 38.487 -0.011 0.000 1.420 217 N HN -0.084 nan 8.380 nan 0.000 0.542 218 K N 3.277 123.678 120.400 0.001 0.000 2.315 218 K HA 0.174 4.494 4.320 -0.000 0.000 0.281 218 K C -0.346 176.269 176.600 0.025 0.000 1.086 218 K CA 0.345 56.638 56.287 0.010 0.000 1.042 218 K CB 0.397 32.900 32.500 0.004 0.000 0.949 218 K HN 0.413 nan 8.250 nan 0.000 0.450 219 L N 1.758 123.005 121.223 0.041 0.000 2.365 219 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 219 L C 1.228 178.143 176.870 0.074 0.000 1.000 219 L CA -0.371 54.499 54.840 0.051 0.000 0.819 219 L CB 2.083 44.167 42.059 0.042 0.000 1.284 219 L HN 0.578 nan 8.230 nan 0.000 0.418 220 S N 0.858 116.608 115.700 0.084 0.000 2.478 220 S HA 0.087 4.557 4.470 -0.000 0.000 0.222 220 S C 0.410 175.107 174.600 0.163 0.000 1.008 220 S CA 0.134 58.405 58.200 0.119 0.000 0.928 220 S CB 0.211 63.490 63.200 0.133 0.000 0.781 220 S HN 0.609 nan 8.310 nan 0.000 0.518 221 K N 0.001 120.482 120.400 0.134 0.000 2.523 221 K HA 0.565 4.885 4.320 -0.000 0.000 0.257 221 K C -2.201 174.450 176.600 0.085 0.000 0.932 221 K CA -0.968 55.408 56.287 0.149 0.000 0.812 221 K CB 1.862 34.453 32.500 0.151 0.000 1.326 221 K HN 0.183 nan 8.250 nan 0.000 0.433 222 L N 2.038 123.310 121.223 0.080 0.000 2.346 222 L HA 0.614 4.954 4.340 -0.000 0.000 0.274 222 L C -1.329 175.581 176.870 0.068 0.000 1.007 222 L CA 0.224 55.083 54.840 0.031 0.000 0.818 222 L CB 2.310 44.352 42.059 -0.028 0.000 1.284 222 L HN 0.654 nan 8.230 nan 0.000 0.424 223 T N 3.880 118.458 114.554 0.039 0.000 2.861 223 T HA 0.667 5.017 4.350 -0.000 0.000 0.287 223 T C -1.134 173.568 174.700 0.002 0.000 1.003 223 T CA -0.408 61.742 62.100 0.083 0.000 0.977 223 T CB 1.677 70.608 68.868 0.105 0.000 0.996 223 T HN 0.372 nan 8.240 nan 0.000 0.448 224 V N 3.605 123.556 119.914 0.061 0.000 2.444 224 V HA 0.452 4.572 4.120 -0.000 0.000 0.294 224 V C -0.330 175.748 176.094 -0.028 0.000 1.022 224 V CA -0.791 61.475 62.300 -0.056 0.000 0.850 224 V CB 1.812 33.628 31.823 -0.013 0.000 0.992 224 V HN 0.726 nan 8.190 nan 0.000 0.426 225 V N 5.408 125.165 119.914 -0.262 0.000 2.350 225 V HA 0.418 4.538 4.120 -0.000 0.000 0.276 225 V C -0.354 175.665 176.094 -0.124 0.000 1.028 225 V CA -0.447 61.744 62.300 -0.180 0.000 0.860 225 V CB 1.030 32.465 31.823 -0.647 0.000 0.990 225 V HN 0.653 nan 8.190 nan 0.000 0.453 226 F N 3.633 123.537 119.950 -0.077 0.000 2.466 226 F HA 0.284 4.811 4.527 0.000 0.000 0.363 226 F C 1.341 177.137 175.800 -0.007 0.000 1.109 226 F CA -0.076 57.875 58.000 -0.082 0.000 1.161 226 F CB 0.535 39.450 39.000 -0.142 0.000 1.117 226 F HN 0.564 nan 8.300 nan 0.000 0.539 227 E N 4.892 125.163 120.200 0.119 0.000 2.585 227 E HA 0.203 4.553 4.350 -0.000 0.000 0.206 227 E C -0.179 176.481 176.600 0.100 0.000 1.007 227 E CA 0.005 56.480 56.400 0.125 0.000 1.028 227 E CB 0.287 30.067 29.700 0.134 0.000 1.087 227 E HN 0.575 nan 8.360 nan 0.000 0.455 228 I N -2.942 117.702 120.570 0.123 0.000 2.846 228 I HA 0.450 4.620 4.170 -0.000 0.000 0.307 228 I C -0.333 175.876 176.117 0.153 0.000 1.053 228 I CA -1.144 60.228 61.300 0.119 0.000 1.050 228 I CB 1.748 39.805 38.000 0.095 0.000 1.239 228 I HN -0.254 nan 8.210 nan 0.000 0.439 229 N N 3.375 122.146 118.700 0.119 0.000 2.422 229 N HA 0.422 5.162 4.740 -0.000 0.000 0.264 229 N C -0.926 174.660 175.510 0.127 0.000 1.063 229 N CA -0.107 53.008 53.050 0.109 0.000 0.959 229 N CB 1.967 40.506 38.487 0.087 0.000 1.087 229 N HN 0.580 nan 8.380 nan 0.000 0.483 230 V N -0.169 119.819 119.914 0.123 0.000 2.656 230 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 230 V C -0.075 176.141 176.094 0.202 0.000 1.051 230 V CA -1.183 61.211 62.300 0.157 0.000 0.893 230 V CB 1.879 33.807 31.823 0.176 0.000 0.999 230 V HN 0.527 nan 8.190 nan 0.000 0.426 231 D N 3.131 123.642 120.400 0.186 0.000 2.414 231 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 231 D C 0.802 177.264 176.300 0.270 0.000 1.252 231 D CA -0.291 53.816 54.000 0.179 0.000 0.999 231 D CB 0.964 41.820 40.800 0.093 0.000 1.093 231 D HN 0.576 nan 8.370 nan 0.000 0.515 232 K N -0.650 119.838 120.400 0.146 0.000 2.097 232 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 232 K C 1.702 178.444 176.600 0.237 0.000 1.049 232 K CA 1.036 57.417 56.287 0.157 0.000 0.933 232 K CB -0.109 32.343 32.500 -0.080 0.000 0.717 232 K HN 0.331 nan 8.250 nan 0.000 0.442 233 N N 0.940 119.736 118.700 0.159 0.000 2.188 233 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 233 N C 1.700 177.339 175.510 0.215 0.000 1.018 233 N CA 0.828 53.971 53.050 0.156 0.000 0.858 233 N CB -0.162 38.382 38.487 0.095 0.000 0.989 233 N HN 0.047 nan 8.380 nan 0.000 0.426 234 L N 0.295 121.650 121.223 0.220 0.000 2.056 234 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 234 L C 2.025 179.104 176.870 0.348 0.000 1.078 234 L CA 1.132 56.131 54.840 0.265 0.000 0.749 234 L CB -0.902 41.282 42.059 0.208 0.000 0.901 234 L HN 0.028 nan 8.230 nan 0.000 0.433 235 F N 0.412 120.462 119.950 0.167 0.000 2.095 235 F HA -0.270 4.257 4.527 0.000 0.000 0.298 235 F C 2.765 178.669 175.800 0.172 0.000 1.104 235 F CA 2.126 60.171 58.000 0.076 0.000 1.232 235 F CB -0.327 38.629 39.000 -0.074 0.000 0.987 235 F HN 0.059 nan 8.300 nan 0.000 0.475 236 R N -0.657 119.962 120.500 0.198 0.000 2.081 236 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 236 R C 2.410 178.731 176.300 0.036 0.000 1.131 236 R CA 1.925 58.060 56.100 0.059 0.000 0.960 236 R CB -0.904 29.474 30.300 0.130 0.000 0.856 236 R HN 0.421 nan 8.270 nan 0.000 0.436 237 F N 0.686 120.652 119.950 0.027 0.000 2.126 237 F HA -0.242 4.285 4.527 0.000 0.000 0.299 237 F C 1.872 177.655 175.800 -0.028 0.000 1.096 237 F CA 1.597 59.612 58.000 0.024 0.000 1.255 237 F CB -0.577 38.461 39.000 0.064 0.000 0.997 237 F HN 0.076 nan 8.300 nan 0.000 0.479 238 F N 0.586 120.472 119.950 -0.108 0.000 2.095 238 F HA -0.227 4.300 4.527 0.000 0.000 0.298 238 F C 1.867 177.392 175.800 -0.457 0.000 1.104 238 F CA 1.923 59.783 58.000 -0.233 0.000 1.232 238 F CB -0.573 38.386 39.000 -0.069 0.000 0.987 238 F HN -0.026 nan 8.300 nan 0.000 0.475 239 L N -0.002 120.900 121.223 -0.534 0.000 2.027 239 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 239 L C 2.419 178.627 176.870 -1.103 0.000 1.074 239 L CA 1.728 56.002 54.840 -0.943 0.000 0.745 239 L CB -0.883 40.716 42.059 -0.766 0.000 0.898 239 L HN 0.152 nan 8.230 nan 0.000 0.433 240 E N -0.354 119.513 120.200 -0.556 0.000 2.085 240 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 240 E C 2.073 178.526 176.600 -0.244 0.000 0.994 240 E CA 1.915 58.188 56.400 -0.210 0.000 0.801 240 E CB -0.109 29.567 29.700 -0.039 0.000 0.743 240 E HN 0.434 nan 8.360 nan 0.000 0.453 241 T N 1.253 115.496 114.554 -0.519 0.000 2.857 241 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 241 T C 1.802 176.282 174.700 -0.368 0.000 1.048 241 T CA 0.608 62.427 62.100 -0.470 0.000 1.139 241 T CB -0.177 68.222 68.868 -0.780 0.000 0.874 241 T HN 0.028 nan 8.240 nan 0.000 0.455 242 L N 0.841 121.684 121.223 -0.634 0.000 1.994 242 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 242 L C 1.937 178.653 176.870 -0.257 0.000 1.071 242 L CA 1.844 56.329 54.840 -0.592 0.000 0.745 242 L CB -0.988 40.501 42.059 -0.950 0.000 0.892 242 L HN 0.098 nan 8.230 nan 0.000 0.431 243 F N -1.012 118.745 119.950 -0.321 0.000 2.095 243 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 243 F C 2.568 178.170 175.800 -0.330 0.000 1.104 243 F CA 1.492 59.210 58.000 -0.471 0.000 1.232 243 F CB -1.675 36.816 39.000 -0.847 0.000 0.987 243 F HN 0.190 nan 8.300 nan 0.000 0.475 244 Y N 1.181 121.530 120.300 0.082 0.000 2.145 244 Y HA -0.205 4.345 4.550 0.000 0.000 0.286 244 Y C 2.384 178.340 175.900 0.094 0.000 1.145 244 Y CA 1.894 60.124 58.100 0.217 0.000 1.148 244 Y CB -0.280 38.290 38.460 0.183 0.000 0.981 244 Y HN -0.023 nan 8.280 nan 0.000 0.507 245 E N -1.085 119.165 120.200 0.084 0.000 2.107 245 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 245 E C 2.010 178.646 176.600 0.060 0.000 0.982 245 E CA 0.987 57.401 56.400 0.023 0.000 0.809 245 E CB -0.779 28.927 29.700 0.011 0.000 0.756 245 E HN 0.545 nan 8.360 nan 0.000 0.459 246 Y N 1.096 121.334 120.300 -0.103 0.000 2.242 246 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 246 Y C 1.066 177.026 175.900 0.099 0.000 1.137 246 Y CA 0.382 58.456 58.100 -0.044 0.000 1.181 246 Y CB -0.227 38.202 38.460 -0.053 0.000 0.989 246 Y HN -0.011 nan 8.280 nan 0.000 0.527 247 M N 1.141 120.734 119.600 -0.013 0.000 2.238 247 M HA 0.155 4.635 4.480 -0.000 0.000 0.350 247 M C -0.635 175.608 176.300 -0.095 0.000 1.321 247 M CA 0.655 55.844 55.300 -0.184 0.000 1.097 247 M CB 0.315 32.618 32.600 -0.496 0.000 1.713 247 M HN 0.009 nan 8.290 nan 0.000 0.455 248 T N 4.085 118.647 114.554 0.014 0.000 2.792 248 T HA 0.244 4.594 4.350 -0.000 0.000 0.280 248 T C -1.044 173.690 174.700 0.056 0.000 0.990 248 T CA -0.597 61.516 62.100 0.022 0.000 0.960 248 T CB 0.756 69.618 68.868 -0.009 0.000 0.939 248 T HN 0.557 nan 8.240 nan 0.000 0.439 249 D N 2.614 123.067 120.400 0.087 0.000 2.393 249 D HA 0.111 4.751 4.640 -0.000 0.000 0.232 249 D C 0.526 176.848 176.300 0.038 0.000 1.192 249 D CA -0.168 53.901 54.000 0.114 0.000 0.882 249 D CB 0.674 41.543 40.800 0.115 0.000 1.038 249 D HN 0.522 nan 8.370 nan 0.000 0.499 250 E N 2.754 122.952 120.200 -0.004 0.000 2.499 250 E HA 0.095 4.445 4.350 -0.000 0.000 0.199 250 E C 1.347 177.871 176.600 -0.127 0.000 1.016 250 E CA -0.187 56.191 56.400 -0.037 0.000 0.933 250 E CB 0.629 30.314 29.700 -0.025 0.000 1.050 250 E HN 0.377 nan 8.360 nan 0.000 0.462 251 R N -0.195 120.150 120.500 -0.258 0.000 2.120 251 R HA -0.085 4.255 4.340 -0.000 0.000 0.234 251 R C 1.034 176.898 176.300 -0.726 0.000 1.123 251 R CA 1.267 57.026 56.100 -0.569 0.000 0.975 251 R CB -0.028 29.713 30.300 -0.932 0.000 0.866 251 R HN 0.144 nan 8.270 nan 0.000 0.446 252 F N 0.453 120.330 119.950 -0.122 0.000 2.695 252 F HA 0.182 4.709 4.527 -0.000 0.000 0.303 252 F C 0.549 176.313 175.800 -0.060 0.000 1.091 252 F CA -0.280 57.643 58.000 -0.128 0.000 1.300 252 F CB 0.343 39.239 39.000 -0.173 0.000 1.071 252 F HN -0.361 nan 8.300 nan 0.000 0.578 253 K N 0.516 120.937 120.400 0.035 0.000 2.270 253 K HA 0.234 4.554 4.320 -0.000 0.000 0.276 253 K C 0.800 177.405 176.600 0.009 0.000 1.023 253 K CA 0.163 56.465 56.287 0.025 0.000 0.955 253 K CB 1.934 34.435 32.500 0.003 0.000 0.975 253 K HN 0.074 nan 8.250 nan 0.000 0.471 254 S N 0.462 116.174 115.700 0.020 0.000 3.829 254 S HA -0.070 4.400 4.470 -0.000 0.000 0.201 254 S C 1.422 176.028 174.600 0.009 0.000 1.005 254 S CA 0.565 58.775 58.200 0.015 0.000 0.935 254 S CB -0.286 62.933 63.200 0.032 0.000 1.181 254 S HN 0.695 nan 8.310 nan 0.000 0.622 255 T N -0.946 113.616 114.554 0.014 0.000 3.113 255 T HA 0.162 4.512 4.350 -0.000 0.000 0.256 255 T C 0.608 175.310 174.700 0.003 0.000 1.131 255 T CA 1.352 63.456 62.100 0.008 0.000 1.074 255 T CB -0.142 68.732 68.868 0.010 0.000 0.944 255 T HN 0.361 nan 8.240 nan 0.000 0.516 256 D N 0.575 120.977 120.400 0.003 0.000 2.623 256 D HA 0.229 4.869 4.640 -0.000 0.000 0.252 256 D C -0.072 176.222 176.300 -0.010 0.000 1.294 256 D CA -0.496 53.503 54.000 -0.002 0.000 0.824 256 D CB 0.113 40.916 40.800 0.004 0.000 1.070 256 D HN 0.296 nan 8.370 nan 0.000 0.487 257 K N 0.434 120.827 120.400 -0.013 0.000 2.319 257 K HA 0.102 4.422 4.320 -0.000 0.000 0.265 257 K C 0.536 177.118 176.600 -0.031 0.000 1.000 257 K CA -0.447 55.827 56.287 -0.022 0.000 0.943 257 K CB 0.499 32.987 32.500 -0.021 0.000 0.950 257 K HN 0.135 nan 8.250 nan 0.000 0.485 262 E N 0.696 120.782 120.200 -0.191 0.000 2.221 262 E HA 0.592 4.942 4.350 -0.000 0.000 0.268 262 E C -1.773 174.710 176.600 -0.195 0.000 0.933 262 E CA -0.460 55.873 56.400 -0.112 0.000 0.809 262 E CB 2.165 31.845 29.700 -0.033 0.000 1.190 262 E HN 0.444 nan 8.360 nan 0.000 0.406 263 Y N 1.355 121.623 120.300 -0.053 0.000 2.446 263 Y HA 0.322 4.872 4.550 0.000 0.000 0.338 263 Y C 0.494 176.419 175.900 0.042 0.000 1.055 263 Y CA -1.158 56.906 58.100 -0.059 0.000 1.101 263 Y CB 0.944 39.259 38.460 -0.242 0.000 1.221 263 Y HN 0.422 nan 8.280 nan 0.000 0.460 264 I N -0.185 120.568 120.570 0.305 0.000 2.872 264 I HA 0.085 4.255 4.170 -0.000 0.000 0.291 264 I C 0.259 176.419 176.117 0.072 0.000 1.216 264 I CA -0.086 61.321 61.300 0.179 0.000 1.424 264 I CB 0.843 38.952 38.000 0.183 0.000 1.351 264 I HN 0.714 nan 8.210 nan 0.000 0.592 265 K N 2.780 123.152 120.400 -0.047 0.000 2.352 265 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 265 K C -0.240 176.022 176.600 -0.563 0.000 1.038 265 K CA 0.251 56.353 56.287 -0.308 0.000 1.023 265 K CB 0.115 32.369 32.500 -0.410 0.000 0.840 265 K HN 0.633 nan 8.250 nan 0.000 0.519 266 H N 0.009 119.118 119.070 0.065 0.000 2.806 266 H HA 0.307 4.863 4.556 -0.000 0.000 0.367 266 H C -1.528 173.850 175.328 0.083 0.000 1.136 266 H CA -1.028 55.059 56.048 0.066 0.000 1.178 266 H CB 2.205 32.008 29.762 0.068 0.000 1.718 266 H HN -0.128 nan 8.280 nan 0.000 0.540 267 L N 1.849 123.194 121.223 0.204 0.000 2.372 267 L HA 0.569 4.909 4.340 -0.000 0.000 0.274 267 L C -0.139 176.837 176.870 0.177 0.000 0.988 267 L CA -0.201 54.745 54.840 0.177 0.000 0.833 267 L CB 1.506 43.674 42.059 0.182 0.000 1.236 267 L HN 0.774 nan 8.230 nan 0.000 0.410 268 G N 4.061 112.981 108.800 0.199 0.000 2.371 268 G HA2 0.613 4.572 3.960 -0.000 0.000 0.326 268 G HA3 0.613 4.572 3.960 -0.000 0.000 0.326 268 G C -1.475 173.561 174.900 0.227 0.000 1.127 268 G CA -0.468 44.777 45.100 0.242 0.000 0.885 268 G HN 0.472 nan 8.290 nan 0.000 0.477 269 V N 2.157 122.168 119.914 0.162 0.000 2.531 269 V HA 0.344 4.464 4.120 -0.000 0.000 0.301 269 V C -1.301 174.872 176.094 0.131 0.000 1.034 269 V CA -0.809 61.627 62.300 0.225 0.000 0.865 269 V CB 1.348 33.335 31.823 0.274 0.000 0.995 269 V HN 0.675 nan 8.190 nan 0.000 0.424 270 Y N 5.076 125.490 120.300 0.190 0.000 2.331 270 Y HA 0.759 5.309 4.550 -0.000 0.000 0.338 270 Y C 0.026 175.977 175.900 0.085 0.000 0.992 270 Y CA -0.418 57.766 58.100 0.139 0.000 1.121 270 Y CB 1.769 40.269 38.460 0.066 0.000 1.184 270 Y HN 0.568 nan 8.280 nan 0.000 0.469 271 I N 2.613 123.236 120.570 0.089 0.000 2.913 271 I HA 0.331 4.501 4.170 -0.000 0.000 0.302 271 I C -1.157 174.931 176.117 -0.048 0.000 1.246 271 I CA -0.877 60.369 61.300 -0.091 0.000 1.010 271 I CB 1.648 39.307 38.000 -0.568 0.000 1.259 271 I HN 0.557 nan 8.210 nan 0.000 0.434 272 N N 4.800 123.482 118.700 -0.029 0.000 2.479 272 N HA 0.123 4.863 4.740 -0.000 0.000 0.257 272 N C -0.440 175.108 175.510 0.065 0.000 1.232 272 N CA 0.433 53.501 53.050 0.031 0.000 0.920 272 N CB 0.260 38.776 38.487 0.048 0.000 1.105 272 N HN 0.596 nan 8.380 nan 0.000 0.444 273 N N 0.038 118.776 118.700 0.064 0.000 2.705 273 N HA -0.221 4.519 4.740 -0.000 0.000 0.255 273 N C 0.684 176.248 175.510 0.091 0.000 1.008 273 N CA 0.719 53.804 53.050 0.059 0.000 0.742 273 N CB -1.086 37.428 38.487 0.043 0.000 0.906 273 N HN 0.674 nan 8.380 nan 0.000 0.541 274 A N 0.050 122.895 122.820 0.042 0.000 1.940 274 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 274 A C 1.857 179.429 177.584 -0.021 0.000 1.176 274 A CA 1.761 53.800 52.037 0.003 0.000 0.631 274 A CB -0.085 18.880 19.000 -0.059 0.000 0.814 274 A HN 0.336 nan 8.150 nan 0.000 0.446 275 D N -0.481 119.895 120.400 -0.039 0.000 2.190 275 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 275 D C 2.228 178.466 176.300 -0.104 0.000 0.992 275 D CA 1.985 55.947 54.000 -0.063 0.000 0.854 275 D CB -0.439 40.330 40.800 -0.051 0.000 0.936 275 D HN 0.649 nan 8.370 nan 0.000 0.462 276 T N -2.651 111.808 114.554 -0.159 0.000 3.055 276 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 276 T C 1.678 176.117 174.700 -0.435 0.000 1.111 276 T CA 0.639 62.562 62.100 -0.295 0.000 1.118 276 T CB -0.338 68.303 68.868 -0.379 0.000 0.909 276 T HN 0.151 nan 8.240 nan 0.000 0.501 277 Y N 0.744 120.877 120.300 -0.279 0.000 2.481 277 Y HA 0.460 5.010 4.550 0.000 0.000 0.258 277 Y C 2.443 178.195 175.900 -0.247 0.000 1.103 277 Y CA -0.501 57.349 58.100 -0.416 0.000 1.287 277 Y CB 0.165 38.033 38.460 -0.987 0.000 1.108 277 Y HN 0.101 nan 8.280 nan 0.000 0.529 278 K N 0.685 121.058 120.400 -0.046 0.000 2.074 278 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 278 K C 2.245 178.866 176.600 0.035 0.000 1.048 278 K CA 1.844 58.130 56.287 -0.002 0.000 0.926 278 K CB -0.168 32.310 32.500 -0.036 0.000 0.713 278 K HN 0.478 nan 8.250 nan 0.000 0.444 279 E N 1.534 121.735 120.200 0.002 0.000 2.338 279 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 279 E C 1.516 178.141 176.600 0.042 0.000 1.007 279 E CA 1.042 57.447 56.400 0.008 0.000 0.849 279 E CB -0.414 29.271 29.700 -0.025 0.000 0.774 279 E HN 0.311 nan 8.360 nan 0.000 0.506 280 E N 0.007 120.270 120.200 0.105 0.000 2.418 280 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 280 E C 2.170 178.874 176.600 0.173 0.000 1.026 280 E CA 0.760 57.259 56.400 0.164 0.000 0.862 280 E CB 0.138 30.050 29.700 0.354 0.000 0.799 280 E HN 0.484 nan 8.360 nan 0.000 0.518 281 V N 1.603 121.634 119.914 0.196 0.000 2.283 281 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 281 V C 2.203 178.398 176.094 0.169 0.000 1.039 281 V CA 1.510 63.931 62.300 0.202 0.000 1.016 281 V CB -0.214 31.726 31.823 0.195 0.000 0.650 281 V HN 0.116 nan 8.190 nan 0.000 0.449 282 E N 0.078 120.347 120.200 0.114 0.000 2.152 282 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 282 E C 2.122 178.778 176.600 0.093 0.000 0.983 282 E CA 0.891 57.355 56.400 0.106 0.000 0.818 282 E CB -0.242 29.500 29.700 0.071 0.000 0.758 282 E HN 0.545 nan 8.360 nan 0.000 0.467 283 K N 0.813 121.224 120.400 0.018 0.000 2.032 283 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 283 K C 2.048 178.584 176.600 -0.106 0.000 1.048 283 K CA 1.466 57.682 56.287 -0.118 0.000 0.927 283 K CB -0.094 32.263 32.500 -0.238 0.000 0.712 283 K HN 0.070 nan 8.250 nan 0.000 0.441 284 A N 1.101 123.934 122.820 0.022 0.000 1.933 284 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 284 A C 2.101 179.928 177.584 0.404 0.000 1.175 284 A CA 1.731 53.851 52.037 0.139 0.000 0.628 284 A CB -0.524 18.504 19.000 0.047 0.000 0.814 284 A HN 0.403 nan 8.150 nan 0.000 0.444 285 R N -0.577 120.180 120.500 0.428 0.000 2.092 285 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 285 R C 1.829 178.432 176.300 0.504 0.000 1.119 285 R CA 1.552 57.922 56.100 0.450 0.000 0.970 285 R CB -0.361 30.069 30.300 0.216 0.000 0.864 285 R HN 0.277 nan 8.270 nan 0.000 0.440 286 V N 0.115 120.283 119.914 0.424 0.000 2.307 286 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 286 V C 1.948 178.439 176.094 0.662 0.000 1.045 286 V CA 1.575 64.195 62.300 0.535 0.000 1.024 286 V CB -0.691 31.327 31.823 0.325 0.000 0.651 286 V HN 0.300 nan 8.190 nan 0.000 0.449 287 Y N -0.075 120.406 120.300 0.303 0.000 2.128 287 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 287 Y C 2.534 178.578 175.900 0.239 0.000 1.154 287 Y CA 1.434 59.673 58.100 0.232 0.000 1.149 287 Y CB -1.418 37.144 38.460 0.171 0.000 0.976 287 Y HN 0.470 nan 8.280 nan 0.000 0.505 288 Y N -0.408 120.135 120.300 0.406 0.000 2.081 288 Y HA -0.348 4.202 4.550 -0.000 0.000 0.280 288 Y C 2.360 178.468 175.900 0.346 0.000 1.163 288 Y CA 1.834 60.143 58.100 0.348 0.000 1.135 288 Y CB -1.285 37.430 38.460 0.424 0.000 0.970 288 Y HN 0.044 nan 8.280 nan 0.000 0.498 289 F N 1.157 120.897 119.950 -0.349 0.000 2.146 289 F HA 0.056 4.583 4.527 -0.000 0.000 0.298 289 F C 2.452 178.098 175.800 -0.258 0.000 1.096 289 F CA 1.619 59.298 58.000 -0.535 0.000 1.275 289 F CB -0.937 37.905 39.000 -0.264 0.000 1.008 289 F HN 0.144 nan 8.300 nan 0.000 0.480 290 G N -0.618 108.147 108.800 -0.058 0.000 2.469 290 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 290 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 290 G C 1.626 176.442 174.900 -0.140 0.000 1.150 290 G CA 1.775 46.861 45.100 -0.023 0.000 0.763 290 G HN 0.469 nan 8.290 nan 0.000 0.561 291 T N -2.430 112.057 114.554 -0.112 0.000 2.896 291 T HA -0.091 4.259 4.350 -0.000 0.000 0.263 291 T C 2.167 176.840 174.700 -0.045 0.000 1.050 291 T CA 1.195 63.230 62.100 -0.108 0.000 1.140 291 T CB -0.394 68.378 68.868 -0.161 0.000 0.877 291 T HN 0.251 nan 8.240 nan 0.000 0.457 292 Y N 0.847 121.022 120.300 -0.210 0.000 2.314 292 Y HA 0.020 4.570 4.550 -0.000 0.000 0.293 292 Y C 2.222 177.882 175.900 -0.400 0.000 1.129 292 Y CA 0.100 58.094 58.100 -0.175 0.000 1.201 292 Y CB -0.592 37.628 38.460 -0.400 0.000 0.999 292 Y HN 0.286 nan 8.280 nan 0.000 0.541 293 Y N 0.249 119.976 120.300 -0.955 0.000 2.114 293 Y HA -0.200 4.350 4.550 0.000 0.000 0.284 293 Y C 2.510 178.102 175.900 -0.514 0.000 1.143 293 Y CA 1.964 59.504 58.100 -0.934 0.000 1.135 293 Y CB -0.930 36.872 38.460 -1.097 0.000 0.980 293 Y HN 0.102 nan 8.280 nan 0.000 0.499 294 A N -0.739 121.887 122.820 -0.323 0.000 1.917 294 A HA -0.273 4.047 4.320 -0.000 0.000 0.219 294 A C 2.519 179.946 177.584 -0.262 0.000 1.182 294 A CA 2.290 54.176 52.037 -0.250 0.000 0.633 294 A CB -1.548 17.395 19.000 -0.095 0.000 0.819 294 A HN 0.552 nan 8.150 nan 0.000 0.448 295 S N -0.791 114.772 115.700 -0.229 0.000 2.368 295 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 295 S C 2.129 176.562 174.600 -0.278 0.000 1.030 295 S CA 1.735 59.843 58.200 -0.152 0.000 0.999 295 S CB -0.435 62.781 63.200 0.027 0.000 0.844 295 S HN 0.683 nan 8.310 nan 0.000 0.459 296 Q N 0.210 119.692 119.800 -0.529 0.000 2.124 296 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 296 Q C 2.292 178.110 176.000 -0.303 0.000 0.977 296 Q CA 1.613 57.136 55.803 -0.466 0.000 0.850 296 Q CB -0.306 28.054 28.738 -0.630 0.000 0.901 296 Q HN 0.548 nan 8.270 nan 0.000 0.429 297 L N 0.030 121.019 121.223 -0.389 0.000 2.027 297 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 297 L C 2.309 179.112 176.870 -0.111 0.000 1.074 297 L CA 0.905 55.583 54.840 -0.269 0.000 0.745 297 L CB -0.401 41.447 42.059 -0.351 0.000 0.898 297 L HN 0.231 nan 8.230 nan 0.000 0.433 298 I N 0.222 120.749 120.570 -0.072 0.000 2.142 298 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 298 I C 2.777 178.976 176.117 0.137 0.000 1.078 298 I CA 1.332 62.672 61.300 0.066 0.000 1.343 298 I CB -0.487 37.599 38.000 0.143 0.000 1.046 298 I HN 0.182 nan 8.210 nan 0.000 0.405 299 A N 0.865 123.753 122.820 0.114 0.000 2.015 299 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 299 A C 1.582 179.173 177.584 0.012 0.000 1.163 299 A CA 0.811 52.938 52.037 0.150 0.000 0.646 299 A CB -0.747 18.318 19.000 0.107 0.000 0.806 299 A HN 0.362 nan 8.150 nan 0.000 0.448 300 A N 1.158 123.977 122.820 -0.002 0.000 2.522 300 A HA 0.463 4.783 4.320 -0.000 0.000 0.256 300 A C -2.260 175.247 177.584 -0.128 0.000 1.086 300 A CA -0.940 51.050 52.037 -0.078 0.000 0.763 300 A CB -0.355 18.693 19.000 0.079 0.000 1.024 300 A HN 0.281 nan 8.150 nan 0.000 0.502 301 P HA 0.164 nan 4.420 nan 0.000 0.272 301 P C 0.798 178.089 177.300 -0.015 0.000 1.240 301 P CA -0.227 62.794 63.100 -0.130 0.000 0.791 301 P CB 0.633 32.227 31.700 -0.176 0.000 0.978 302 S N 0.454 116.129 115.700 -0.041 0.000 2.474 302 S HA -0.108 4.362 4.470 -0.000 0.000 0.235 302 S C 1.517 176.064 174.600 -0.088 0.000 0.997 302 S CA 0.906 59.080 58.200 -0.044 0.000 0.949 302 S CB -0.839 62.326 63.200 -0.057 0.000 0.766 302 S HN 0.633 nan 8.310 nan 0.000 0.517 303 N N 0.740 119.390 118.700 -0.083 0.000 2.270 303 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 303 N C 1.266 176.664 175.510 -0.187 0.000 1.016 303 N CA 1.258 54.235 53.050 -0.123 0.000 0.870 303 N CB -0.716 37.679 38.487 -0.154 0.000 0.979 303 N HN 0.446 nan 8.380 nan 0.000 0.431 304 Y N 0.622 120.879 120.300 -0.072 0.000 2.206 304 Y HA 0.113 4.663 4.550 -0.000 0.000 0.292 304 Y C 1.270 177.133 175.900 -0.063 0.000 1.123 304 Y CA 0.585 58.674 58.100 -0.017 0.000 1.142 304 Y CB -0.155 38.347 38.460 0.070 0.000 1.006 304 Y HN 0.154 nan 8.280 nan 0.000 0.518 305 C N 2.987 122.331 119.300 0.073 0.000 2.184 305 C HA 0.482 4.942 4.460 -0.000 0.000 0.328 305 C C -0.310 174.610 174.990 -0.117 0.000 1.081 305 C CA -0.967 58.044 59.018 -0.012 0.000 1.533 305 C CB -2.589 25.157 27.740 0.009 0.000 1.905 305 C HN 0.539 nan 8.230 nan 0.000 0.439 306 N N 4.068 122.620 118.700 -0.245 0.000 2.653 306 N HA 0.665 5.405 4.740 -0.000 0.000 0.294 306 N C -2.506 172.834 175.510 -0.284 0.000 1.305 306 N CA -1.780 50.994 53.050 -0.460 0.000 0.827 306 N CB 0.661 38.406 38.487 -1.238 0.000 1.415 306 N HN 0.044 nan 8.380 nan 0.000 0.546 307 P HA -0.108 nan 4.420 nan 0.000 0.218 307 P C 1.049 178.343 177.300 -0.010 0.000 1.148 307 P CA 0.819 63.898 63.100 -0.036 0.000 0.822 307 P CB 0.200 31.937 31.700 0.061 0.000 0.784 308 V N 0.258 120.159 119.914 -0.021 0.000 2.323 308 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 308 V C 2.527 178.622 176.094 0.002 0.000 1.041 308 V CA 2.477 64.794 62.300 0.029 0.000 1.025 308 V CB -1.709 30.167 31.823 0.088 0.000 0.656 308 V HN 0.255 nan 8.190 nan 0.000 0.451 309 S N -0.123 115.551 115.700 -0.044 0.000 2.402 309 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 309 S C 2.038 176.634 174.600 -0.007 0.000 1.021 309 S CA 1.293 59.484 58.200 -0.016 0.000 0.974 309 S CB -0.532 62.655 63.200 -0.021 0.000 0.800 309 S HN 0.479 nan 8.310 nan 0.000 0.484 310 L N 2.004 123.211 121.223 -0.027 0.000 2.072 310 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 310 L C 2.887 179.763 176.870 0.009 0.000 1.079 310 L CA 1.683 56.514 54.840 -0.015 0.000 0.752 310 L CB -0.622 41.419 42.059 -0.032 0.000 0.906 310 L HN 0.622 nan 8.230 nan 0.000 0.436 311 S N -0.624 115.086 115.700 0.018 0.000 2.383 311 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 311 S C 1.678 176.292 174.600 0.023 0.000 1.026 311 S CA 1.101 59.323 58.200 0.036 0.000 0.981 311 S CB -0.556 62.683 63.200 0.064 0.000 0.818 311 S HN 0.453 nan 8.310 nan 0.000 0.472 312 N N 2.907 121.620 118.700 0.022 0.000 2.084 312 N HA 0.037 4.777 4.740 -0.000 0.000 0.190 312 N C 2.032 177.550 175.510 0.014 0.000 1.030 312 N CA 1.621 54.678 53.050 0.011 0.000 0.849 312 N CB -1.088 37.414 38.487 0.026 0.000 1.012 312 N HN 0.610 nan 8.380 nan 0.000 0.423 313 A N 0.989 123.834 122.820 0.043 0.000 1.940 313 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 313 A C 2.371 180.019 177.584 0.107 0.000 1.176 313 A CA 2.059 54.152 52.037 0.094 0.000 0.631 313 A CB -0.872 18.178 19.000 0.085 0.000 0.814 313 A HN 0.335 nan 8.150 nan 0.000 0.446 314 A N -0.560 122.300 122.820 0.065 0.000 1.902 314 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 314 A C 2.234 179.782 177.584 -0.060 0.000 1.181 314 A CA 1.805 53.870 52.037 0.048 0.000 0.623 314 A CB -1.026 18.006 19.000 0.053 0.000 0.818 314 A HN 0.412 nan 8.150 nan 0.000 0.443 315 V N 0.165 119.982 119.914 -0.161 0.000 2.282 315 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 315 V C 2.581 178.476 176.094 -0.331 0.000 1.057 315 V CA 2.519 64.544 62.300 -0.458 0.000 1.032 315 V CB -0.746 30.803 31.823 -0.455 0.000 0.645 315 V HN 0.816 nan 8.190 nan 0.000 0.447 316 E N -0.268 119.856 120.200 -0.127 0.000 2.110 316 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 316 E C 2.179 178.758 176.600 -0.036 0.000 0.988 316 E CA 1.486 57.854 56.400 -0.053 0.000 0.804 316 E CB -0.139 29.588 29.700 0.045 0.000 0.745 316 E HN 0.472 nan 8.360 nan 0.000 0.458 317 L N 0.842 122.078 121.223 0.022 0.000 2.017 317 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 317 L C 2.308 179.164 176.870 -0.025 0.000 1.073 317 L CA 2.216 57.069 54.840 0.022 0.000 0.745 317 L CB -0.661 41.417 42.059 0.032 0.000 0.894 317 L HN 0.180 nan 8.230 nan 0.000 0.432 318 A N -1.133 121.662 122.820 -0.041 0.000 1.933 318 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 318 A C 2.187 179.804 177.584 0.055 0.000 1.175 318 A CA 1.832 53.883 52.037 0.023 0.000 0.628 318 A CB -0.601 18.456 19.000 0.094 0.000 0.814 318 A HN 0.670 nan 8.150 nan 0.000 0.444 319 Q N -0.394 119.406 119.800 -0.001 0.000 2.084 319 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 319 Q C 2.040 178.037 176.000 -0.005 0.000 0.978 319 Q CA 1.791 57.614 55.803 0.032 0.000 0.844 319 Q CB -0.196 28.542 28.738 -0.001 0.000 0.898 319 Q HN 0.650 nan 8.270 nan 0.000 0.426 320 K N 0.221 120.590 120.400 -0.052 0.000 2.148 320 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 320 K C 1.543 178.117 176.600 -0.043 0.000 1.050 320 K CA 0.850 57.086 56.287 -0.084 0.000 0.942 320 K CB 0.144 32.544 32.500 -0.166 0.000 0.724 320 K HN 0.168 nan 8.250 nan 0.000 0.446 321 L N 0.488 121.703 121.223 -0.014 0.000 2.640 321 L HA 0.120 4.460 4.340 -0.000 0.000 0.230 321 L C -0.147 176.742 176.870 0.033 0.000 1.123 321 L CA -0.234 54.603 54.840 -0.004 0.000 0.900 321 L CB 0.021 42.069 42.059 -0.018 0.000 1.146 321 L HN 0.220 nan 8.230 nan 0.000 0.484 322 N N 1.253 119.980 118.700 0.044 0.000 2.735 322 N HA -0.166 4.574 4.740 -0.000 0.000 0.248 322 N C -0.364 175.201 175.510 0.092 0.000 1.083 322 N CA 0.756 53.845 53.050 0.064 0.000 0.703 322 N CB -1.082 37.431 38.487 0.043 0.000 1.005 322 N HN 0.299 nan 8.380 nan 0.000 0.550 323 L N 0.631 121.927 121.223 0.122 0.000 2.379 323 L HA 0.293 4.633 4.340 -0.000 0.000 0.269 323 L C 1.120 178.091 176.870 0.168 0.000 1.084 323 L CA -0.586 54.347 54.840 0.154 0.000 0.802 323 L CB 0.832 42.989 42.059 0.162 0.000 1.175 323 L HN 0.015 nan 8.230 nan 0.000 0.448 324 E N 0.965 121.237 120.200 0.120 0.000 2.373 324 E HA 0.316 4.666 4.350 -0.000 0.000 0.263 324 E C -1.515 175.179 176.600 0.156 0.000 1.073 324 E CA -0.171 56.263 56.400 0.057 0.000 0.894 324 E CB 0.978 30.669 29.700 -0.016 0.000 1.008 324 E HN 0.419 nan 8.360 nan 0.000 0.420 325 Y N -0.958 119.364 120.300 0.037 0.000 2.552 325 Y HA 0.598 5.148 4.550 0.000 0.000 0.337 325 Y C -1.287 174.643 175.900 0.049 0.000 1.094 325 Y CA -1.358 56.779 58.100 0.061 0.000 1.028 325 Y CB 1.410 39.920 38.460 0.084 0.000 1.321 325 Y HN 0.379 nan 8.280 nan 0.000 0.456 326 K N 3.685 124.235 120.400 0.250 0.000 2.513 326 K HA 0.628 4.948 4.320 -0.000 0.000 0.251 326 K C -2.112 174.692 176.600 0.340 0.000 0.939 326 K CA -0.699 55.719 56.287 0.219 0.000 0.793 326 K CB 1.468 34.040 32.500 0.120 0.000 1.241 326 K HN 0.751 nan 8.250 nan 0.000 0.431 327 I N 5.557 126.317 120.570 0.316 0.000 2.330 327 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 327 I C -0.566 175.690 176.117 0.232 0.000 1.001 327 I CA -0.872 60.593 61.300 0.276 0.000 1.193 327 I CB 0.846 38.983 38.000 0.227 0.000 1.345 327 I HN 0.582 nan 8.210 nan 0.000 0.461 328 L N 6.089 127.463 121.223 0.253 0.000 2.319 328 L HA 0.545 4.885 4.340 -0.000 0.000 0.280 328 L C 1.054 178.035 176.870 0.185 0.000 1.099 328 L CA 0.249 55.201 54.840 0.185 0.000 0.828 328 L CB 0.850 42.977 42.059 0.112 0.000 1.150 328 L HN 0.690 nan 8.230 nan 0.000 0.442 329 G N 1.917 110.795 108.800 0.131 0.000 2.537 329 G HA2 0.436 4.396 3.960 -0.000 0.000 0.297 329 G HA3 0.436 4.396 3.960 -0.000 0.000 0.297 329 G C 0.928 175.873 174.900 0.075 0.000 1.310 329 G CA -0.627 44.536 45.100 0.104 0.000 1.027 329 G HN 0.368 nan 8.290 nan 0.000 0.505 330 V N 0.352 120.292 119.914 0.043 0.000 2.287 330 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 330 V C 2.873 178.976 176.094 0.016 0.000 1.053 330 V CA 2.451 64.757 62.300 0.009 0.000 1.027 330 V CB -0.524 31.294 31.823 -0.008 0.000 0.646 330 V HN 0.832 nan 8.190 nan 0.000 0.447 331 K N 0.081 120.495 120.400 0.024 0.000 2.063 331 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 331 K C 2.210 178.827 176.600 0.029 0.000 1.048 331 K CA 2.204 58.505 56.287 0.023 0.000 0.928 331 K CB -0.167 32.348 32.500 0.025 0.000 0.713 331 K HN 0.594 nan 8.250 nan 0.000 0.442 332 E N 0.526 120.750 120.200 0.040 0.000 2.106 332 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 332 E C 2.107 178.731 176.600 0.040 0.000 0.984 332 E CA 0.818 57.244 56.400 0.044 0.000 0.806 332 E CB -0.011 29.724 29.700 0.058 0.000 0.750 332 E HN 0.340 nan 8.360 nan 0.000 0.458 333 L N 0.621 121.870 121.223 0.044 0.000 2.083 333 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 333 L C 2.368 179.258 176.870 0.033 0.000 1.083 333 L CA 1.325 56.194 54.840 0.048 0.000 0.752 333 L CB -0.351 41.745 42.059 0.061 0.000 0.899 333 L HN 0.154 nan 8.230 nan 0.000 0.433 334 E N -0.107 120.104 120.200 0.019 0.000 2.077 334 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 334 E C 2.065 178.678 176.600 0.021 0.000 0.989 334 E CA 1.177 57.586 56.400 0.015 0.000 0.800 334 E CB -0.007 29.698 29.700 0.008 0.000 0.746 334 E HN 0.316 nan 8.360 nan 0.000 0.452 335 E N 1.015 121.229 120.200 0.023 0.000 2.118 335 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 335 E C 1.670 178.285 176.600 0.025 0.000 0.992 335 E CA 0.951 57.365 56.400 0.022 0.000 0.804 335 E CB -0.071 29.642 29.700 0.023 0.000 0.741 335 E HN 0.207 nan 8.360 nan 0.000 0.458 336 L N -0.033 121.209 121.223 0.031 0.000 2.599 336 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 336 L C 0.438 177.333 176.870 0.042 0.000 1.141 336 L CA 0.301 55.163 54.840 0.036 0.000 0.877 336 L CB -0.188 41.897 42.059 0.044 0.000 1.009 336 L HN 0.096 nan 8.230 nan 0.000 0.447 337 K N -0.243 120.181 120.400 0.040 0.000 3.117 337 K HA -0.190 4.130 4.320 -0.000 0.000 0.269 337 K C 0.146 176.783 176.600 0.062 0.000 1.098 337 K CA 0.493 56.806 56.287 0.044 0.000 0.785 337 K CB -1.367 31.157 32.500 0.040 0.000 1.242 337 K HN 0.296 nan 8.250 nan 0.000 0.491 338 M N 0.510 120.154 119.600 0.074 0.000 3.706 338 M HA 0.022 4.502 4.480 -0.000 0.000 0.204 338 M C 1.690 178.048 176.300 0.097 0.000 1.455 338 M CA 0.495 55.865 55.300 0.117 0.000 1.659 338 M CB 0.102 32.822 32.600 0.200 0.000 1.076 338 M HN 0.421 nan 8.290 nan 0.000 0.577 339 G N 0.346 109.189 108.800 0.072 0.000 2.422 339 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 339 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 339 G C 1.495 176.422 174.900 0.045 0.000 1.140 339 G CA 0.984 46.113 45.100 0.048 0.000 0.775 339 G HN 0.644 nan 8.290 nan 0.000 0.545 340 A N 0.218 123.081 122.820 0.072 0.000 1.855 340 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 340 A C 2.212 179.828 177.584 0.053 0.000 1.191 340 A CA 1.636 53.708 52.037 0.058 0.000 0.613 340 A CB -0.763 18.264 19.000 0.045 0.000 0.829 340 A HN 0.392 nan 8.150 nan 0.000 0.442 341 Y N 0.768 121.040 120.300 -0.047 0.000 2.128 341 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 341 Y C 1.922 177.784 175.900 -0.064 0.000 1.154 341 Y CA 1.677 59.751 58.100 -0.044 0.000 1.149 341 Y CB -0.670 37.806 38.460 0.027 0.000 0.976 341 Y HN 0.204 nan 8.280 nan 0.000 0.505 342 L N -0.831 120.277 121.223 -0.192 0.000 2.083 342 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 342 L C 2.525 179.255 176.870 -0.233 0.000 1.083 342 L CA 1.500 56.159 54.840 -0.302 0.000 0.752 342 L CB -0.691 41.264 42.059 -0.174 0.000 0.899 342 L HN 0.124 nan 8.230 nan 0.000 0.433 343 S N -0.564 115.017 115.700 -0.197 0.000 2.368 343 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 343 S C 2.054 176.305 174.600 -0.582 0.000 1.030 343 S CA 1.237 59.278 58.200 -0.265 0.000 0.999 343 S CB -0.242 62.848 63.200 -0.183 0.000 0.844 343 S HN 0.174 nan 8.310 nan 0.000 0.459 344 V N 1.546 121.061 119.914 -0.665 0.000 2.332 344 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 344 V C 2.483 178.396 176.094 -0.302 0.000 1.055 344 V CA 1.988 63.885 62.300 -0.671 0.000 1.038 344 V CB -1.322 30.317 31.823 -0.307 0.000 0.651 344 V HN 0.608 nan 8.190 nan 0.000 0.450 345 G N -1.165 107.500 108.800 -0.226 0.000 2.744 345 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.211 345 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.211 345 G C 1.541 176.392 174.900 -0.080 0.000 1.143 345 G CA 0.141 45.165 45.100 -0.127 0.000 0.788 345 G HN 0.453 nan 8.290 nan 0.000 0.534 346 K N 0.162 120.508 120.400 -0.090 0.000 2.103 346 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 346 K C 2.544 179.156 176.600 0.019 0.000 1.048 346 K CA 1.022 57.292 56.287 -0.028 0.000 0.930 346 K CB -0.170 32.333 32.500 0.004 0.000 0.716 346 K HN 0.265 nan 8.250 nan 0.000 0.444 347 G N 0.246 109.079 108.800 0.054 0.000 2.744 347 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.211 347 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.211 347 G C 0.375 175.298 174.900 0.038 0.000 1.143 347 G CA -0.033 45.111 45.100 0.073 0.000 0.788 347 G HN 0.176 nan 8.290 nan 0.000 0.534 348 S N -0.045 115.671 115.700 0.028 0.000 2.585 348 S HA 0.367 4.837 4.470 -0.000 0.000 0.277 348 S C 1.649 176.214 174.600 -0.059 0.000 1.241 348 S CA -0.569 57.648 58.200 0.029 0.000 1.041 348 S CB 0.892 64.156 63.200 0.106 0.000 0.987 348 S HN 0.295 nan 8.310 nan 0.000 0.512 349 M N 3.097 122.581 119.600 -0.193 0.000 2.562 349 M HA 0.179 4.659 4.480 -0.000 0.000 0.257 349 M C -0.867 175.182 176.300 -0.419 0.000 1.099 349 M CA 0.640 55.739 55.300 -0.335 0.000 1.099 349 M CB -0.440 31.879 32.600 -0.469 0.000 1.427 349 M HN 0.536 nan 8.290 nan 0.000 0.489 350 Y N 2.265 122.566 120.300 0.001 0.000 2.350 350 Y HA 0.505 5.055 4.550 -0.000 0.000 0.340 350 Y C -2.248 173.652 175.900 -0.001 0.000 1.006 350 Y CA -2.872 55.231 58.100 0.005 0.000 1.166 350 Y CB -0.055 38.413 38.460 0.014 0.000 1.168 350 Y HN 0.019 nan 8.280 nan 0.000 0.502 351 P HA -0.024 nan 4.420 nan 0.000 0.266 351 P C -0.655 176.690 177.300 0.074 0.000 1.195 351 P CA -0.134 63.004 63.100 0.064 0.000 0.768 351 P CB 0.560 32.295 31.700 0.058 0.000 0.838 352 N N 2.616 121.315 118.700 -0.002 0.000 2.412 352 N HA 0.035 4.775 4.740 -0.000 0.000 0.254 352 N C -0.033 175.542 175.510 0.107 0.000 1.232 352 N CA 0.711 53.753 53.050 -0.014 0.000 0.880 352 N CB 0.024 38.311 38.487 -0.332 0.000 1.076 352 N HN 0.184 nan 8.380 nan 0.000 0.458 353 K N 2.100 122.625 120.400 0.209 0.000 2.507 353 K HA 0.280 4.600 4.320 -0.000 0.000 0.252 353 K C -1.173 175.611 176.600 0.308 0.000 0.943 353 K CA -0.527 55.898 56.287 0.231 0.000 0.808 353 K CB 1.430 34.020 32.500 0.150 0.000 1.142 353 K HN 0.404 nan 8.250 nan 0.000 0.426 354 F N 4.141 124.197 119.950 0.176 0.000 2.391 354 F HA 0.416 4.943 4.527 -0.000 0.000 0.359 354 F C 0.046 175.874 175.800 0.047 0.000 1.122 354 F CA -0.915 57.124 58.000 0.065 0.000 1.120 354 F CB 0.478 39.475 39.000 -0.004 0.000 1.142 354 F HN 0.391 nan 8.300 nan 0.000 0.483 355 I N 6.242 126.776 120.570 -0.059 0.000 2.371 355 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 355 I C -0.462 175.803 176.117 0.247 0.000 1.028 355 I CA -0.249 61.118 61.300 0.112 0.000 1.345 355 I CB 0.858 38.873 38.000 0.025 0.000 1.407 355 I HN 0.593 nan 8.210 nan 0.000 0.501 356 H N 6.872 126.125 119.070 0.305 0.000 2.991 356 H HA 0.462 5.018 4.556 -0.000 0.000 0.304 356 H C -1.503 174.055 175.328 0.382 0.000 1.040 356 H CA -0.915 55.364 56.048 0.385 0.000 1.410 356 H CB 0.949 30.986 29.762 0.459 0.000 1.529 356 H HN 0.397 nan 8.280 nan 0.000 0.509 357 L N 3.589 125.194 121.223 0.637 0.000 2.344 357 L HA 0.448 4.788 4.340 -0.000 0.000 0.272 357 L C 0.049 177.295 176.870 0.626 0.000 1.035 357 L CA -0.219 54.928 54.840 0.511 0.000 0.807 357 L CB 2.081 44.368 42.059 0.380 0.000 1.237 357 L HN 0.610 nan 8.230 nan 0.000 0.442 358 T N 1.166 115.964 114.554 0.406 0.000 2.928 358 T HA 0.346 4.696 4.350 -0.000 0.000 0.296 358 T C -1.486 173.379 174.700 0.275 0.000 1.000 358 T CA -0.397 61.870 62.100 0.279 0.000 0.989 358 T CB 0.905 69.828 68.868 0.092 0.000 1.005 358 T HN 0.303 nan 8.240 nan 0.000 0.442 359 Y N 2.787 123.214 120.300 0.211 0.000 2.341 359 Y HA 0.680 5.230 4.550 -0.000 0.000 0.337 359 Y C -0.297 175.622 175.900 0.032 0.000 1.014 359 Y CA -0.907 57.286 58.100 0.155 0.000 1.111 359 Y CB 1.081 39.706 38.460 0.275 0.000 1.194 359 Y HN 0.540 nan 8.280 nan 0.000 0.462 360 K N 4.102 124.027 120.400 -0.791 0.000 2.507 360 K HA 0.476 4.796 4.320 -0.000 0.000 0.252 360 K C -1.078 175.052 176.600 -0.783 0.000 0.943 360 K CA -0.546 55.395 56.287 -0.577 0.000 0.808 360 K CB 1.258 33.588 32.500 -0.282 0.000 1.142 360 K HN 0.751 nan 8.250 nan 0.000 0.426 361 S N 2.522 117.921 115.700 -0.502 0.000 2.568 361 S HA 0.085 4.555 4.470 -0.000 0.000 0.282 361 S C 1.437 175.941 174.600 -0.159 0.000 1.338 361 S CA 0.113 58.171 58.200 -0.236 0.000 1.045 361 S CB 1.345 64.540 63.200 -0.008 0.000 0.873 361 S HN 0.759 nan 8.310 nan 0.000 0.516 362 K N 2.198 122.541 120.400 -0.095 0.000 2.217 362 K HA 0.142 4.462 4.320 -0.000 0.000 0.202 362 K C 1.237 177.812 176.600 -0.041 0.000 1.051 362 K CA 1.109 57.357 56.287 -0.065 0.000 0.952 362 K CB -0.994 31.483 32.500 -0.039 0.000 0.736 362 K HN 0.772 nan 8.250 nan 0.000 0.453 363 G N 0.074 108.858 108.800 -0.026 0.000 2.514 363 G HA2 0.356 4.316 3.960 -0.000 0.000 0.245 363 G HA3 0.356 4.316 3.960 -0.000 0.000 0.245 363 G C 0.086 174.974 174.900 -0.020 0.000 1.488 363 G CA 0.249 45.339 45.100 -0.016 0.000 1.063 363 G HN 0.650 nan 8.290 nan 0.000 0.557 364 D N -0.994 119.398 120.400 -0.013 0.000 2.343 364 D HA 0.436 5.076 4.640 -0.000 0.000 0.255 364 D C 0.191 176.484 176.300 -0.012 0.000 1.187 364 D CA -0.440 53.553 54.000 -0.013 0.000 0.875 364 D CB 1.014 41.808 40.800 -0.010 0.000 1.136 364 D HN 0.318 nan 8.370 nan 0.000 0.469 365 V N 2.890 122.795 119.914 -0.015 0.000 2.479 365 V HA 0.139 4.259 4.120 -0.000 0.000 0.281 365 V C 1.352 177.441 176.094 -0.009 0.000 1.031 365 V CA 0.272 62.565 62.300 -0.012 0.000 1.038 365 V CB 0.996 32.810 31.823 -0.015 0.000 0.981 365 V HN 0.736 nan 8.190 nan 0.000 0.478 366 K N 3.085 123.481 120.400 -0.007 0.000 2.360 366 K HA 0.260 4.580 4.320 -0.000 0.000 0.196 366 K C 0.203 176.790 176.600 -0.022 0.000 1.049 366 K CA -0.176 56.103 56.287 -0.012 0.000 1.049 366 K CB 0.629 33.125 32.500 -0.007 0.000 0.881 366 K HN 0.343 nan 8.250 nan 0.000 0.542 367 K N 1.511 121.899 120.400 -0.019 0.000 2.525 367 K HA 0.286 4.606 4.320 -0.000 0.000 0.254 367 K C -1.856 174.734 176.600 -0.017 0.000 0.934 367 K CA -0.380 55.885 56.287 -0.037 0.000 0.802 367 K CB 1.550 34.039 32.500 -0.019 0.000 1.295 367 K HN -0.199 nan 8.250 nan 0.000 0.433 368 K N 3.795 124.177 120.400 -0.029 0.000 2.345 368 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 368 K C -0.677 175.960 176.600 0.063 0.000 0.934 368 K CA -0.707 55.602 56.287 0.036 0.000 0.801 368 K CB 1.737 34.274 32.500 0.062 0.000 1.137 368 K HN 0.449 nan 8.250 nan 0.000 0.424 369 I N 1.665 122.308 120.570 0.122 0.000 2.569 369 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 369 I C -0.892 175.330 176.117 0.175 0.000 1.088 369 I CA -0.922 60.484 61.300 0.176 0.000 1.047 369 I CB 2.199 40.305 38.000 0.177 0.000 1.237 369 I HN 0.631 nan 8.210 nan 0.000 0.421 370 A N 7.506 130.446 122.820 0.200 0.000 2.288 370 A HA 0.819 5.139 4.320 -0.000 0.000 0.320 370 A C -0.852 176.817 177.584 0.142 0.000 1.217 370 A CA -0.448 51.687 52.037 0.163 0.000 0.840 370 A CB 0.663 19.756 19.000 0.156 0.000 1.179 370 A HN 0.680 nan 8.150 nan 0.000 0.504 371 L N 3.466 124.725 121.223 0.060 0.000 2.280 371 L HA 0.491 4.831 4.340 -0.000 0.000 0.287 371 L C -0.839 176.098 176.870 0.111 0.000 1.023 371 L CA -0.780 54.112 54.840 0.088 0.000 0.819 371 L CB 1.525 43.617 42.059 0.055 0.000 1.212 371 L HN 0.404 nan 8.230 nan 0.000 0.420 372 V N 2.288 122.274 119.914 0.120 0.000 2.384 372 V HA 0.647 4.767 4.120 -0.000 0.000 0.287 372 V C 0.503 176.639 176.094 0.070 0.000 1.020 372 V CA -0.475 61.877 62.300 0.087 0.000 0.850 372 V CB 1.574 33.465 31.823 0.113 0.000 0.987 372 V HN 0.855 nan 8.190 nan 0.000 0.436 373 G N 3.063 111.873 108.800 0.017 0.000 2.461 373 G HA2 0.527 4.487 3.960 -0.000 0.000 0.323 373 G HA3 0.527 4.487 3.960 -0.000 0.000 0.323 373 G C -0.683 174.190 174.900 -0.044 0.000 1.229 373 G CA -0.777 44.330 45.100 0.012 0.000 0.941 373 G HN 0.699 nan 8.290 nan 0.000 0.477 374 K N 0.988 121.371 120.400 -0.028 0.000 2.379 374 K HA 0.386 4.707 4.320 -0.000 0.000 0.284 374 K C 0.635 177.186 176.600 -0.082 0.000 1.044 374 K CA -0.062 56.189 56.287 -0.060 0.000 0.974 374 K CB 0.527 33.006 32.500 -0.036 0.000 0.962 374 K HN 0.449 nan 8.250 nan 0.000 0.474 375 G N 6.246 114.988 108.800 -0.095 0.000 4.975 375 G HA2 0.253 4.213 3.960 -0.000 0.000 0.312 375 G HA3 0.253 4.213 3.960 -0.000 0.000 0.312 375 G C -0.423 174.453 174.900 -0.041 0.000 1.425 375 G CA -0.489 44.563 45.100 -0.079 0.000 1.076 375 G HN 0.499 nan 8.290 nan 0.000 0.586 376 I N 2.630 123.173 120.570 -0.044 0.000 2.301 376 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 376 I C 1.749 177.864 176.117 -0.002 0.000 1.046 376 I CA -0.170 61.121 61.300 -0.015 0.000 1.282 376 I CB 0.626 38.605 38.000 -0.035 0.000 1.409 376 I HN 0.274 nan 8.210 nan 0.000 0.484 377 T N 2.784 117.360 114.554 0.037 0.000 3.023 377 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 377 T C 0.226 175.032 174.700 0.176 0.000 1.093 377 T CA 0.624 62.758 62.100 0.057 0.000 1.129 377 T CB 0.043 68.913 68.868 0.004 0.000 0.899 377 T HN 0.316 nan 8.240 nan 0.000 0.491 378 F N 1.052 121.004 119.950 0.004 0.000 2.622 378 F HA 0.479 5.006 4.527 0.000 0.000 0.318 378 F C -2.216 173.603 175.800 0.031 0.000 1.135 378 F CA -1.766 56.245 58.000 0.018 0.000 1.015 378 F CB 2.054 41.066 39.000 0.020 0.000 1.275 378 F HN -0.115 nan 8.300 nan 0.000 0.457 379 D N 2.682 122.597 120.400 -0.809 0.000 2.462 379 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 379 D C 0.673 176.521 176.300 -0.753 0.000 1.117 379 D CA 0.162 53.844 54.000 -0.530 0.000 0.900 379 D CB 1.197 41.831 40.800 -0.275 0.000 1.039 379 D HN 0.448 nan 8.370 nan 0.000 0.516 380 S N 1.930 117.343 115.700 -0.479 0.000 2.481 380 S HA 0.159 4.629 4.470 -0.000 0.000 0.231 380 S C 1.751 176.284 174.600 -0.112 0.000 0.996 380 S CA 0.710 58.791 58.200 -0.198 0.000 0.942 380 S CB 0.004 63.274 63.200 0.117 0.000 0.768 380 S HN 0.729 nan 8.310 nan 0.000 0.520 381 G N 0.523 109.266 108.800 -0.096 0.000 2.234 381 G HA2 0.136 4.096 3.960 -0.000 0.000 0.235 381 G HA3 0.136 4.096 3.960 -0.000 0.000 0.235 381 G C 1.227 176.130 174.900 0.004 0.000 0.997 381 G CA 0.316 45.393 45.100 -0.039 0.000 0.623 381 G HN 1.810 nan 8.290 nan 0.000 0.514 382 G N -0.660 108.146 108.800 0.010 0.000 2.569 382 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.259 382 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.259 382 G C 0.550 175.406 174.900 -0.072 0.000 1.263 382 G CA 0.650 45.761 45.100 0.019 0.000 0.928 382 G HN 1.078 nan 8.290 nan 0.000 0.572 383 Y N 1.229 121.511 120.300 -0.030 0.000 2.256 383 Y HA -0.073 4.477 4.550 -0.000 0.000 0.288 383 Y C 2.402 178.271 175.900 -0.053 0.000 1.155 383 Y CA 2.008 60.081 58.100 -0.046 0.000 1.203 383 Y CB -0.260 38.156 38.460 -0.073 0.000 0.980 383 Y HN 0.425 nan 8.280 nan 0.000 0.530 384 N N 1.166 119.895 118.700 0.049 0.000 3.210 384 N HA 0.091 4.831 4.740 -0.000 0.000 0.314 384 N C -0.801 174.702 175.510 -0.011 0.000 1.291 384 N CA -0.195 52.858 53.050 0.005 0.000 1.202 384 N CB -0.294 38.179 38.487 -0.022 0.000 1.475 384 N HN 0.073 nan 8.380 nan 0.000 0.554 385 L N 1.053 122.265 121.223 -0.018 0.000 2.578 385 L HA -0.081 4.259 4.340 -0.000 0.000 0.279 385 L C 0.188 177.045 176.870 -0.021 0.000 1.227 385 L CA 0.272 55.094 54.840 -0.030 0.000 0.900 385 L CB 0.290 42.327 42.059 -0.036 0.000 1.144 385 L HN 0.295 nan 8.230 nan 0.000 0.496 386 K N 5.757 126.141 120.400 -0.027 0.000 2.062 386 K HA 0.124 4.444 4.320 -0.000 0.000 0.251 386 K C 0.588 177.182 176.600 -0.010 0.000 1.113 386 K CA 0.621 56.895 56.287 -0.023 0.000 1.096 386 K CB -0.177 32.300 32.500 -0.038 0.000 1.099 386 K HN 0.756 nan 8.250 nan 0.000 0.350 387 A N 1.672 124.487 122.820 -0.009 0.000 2.358 387 A HA 0.274 4.594 4.320 -0.000 0.000 0.223 387 A C 0.766 178.346 177.584 -0.007 0.000 1.218 387 A CA -0.129 51.904 52.037 -0.006 0.000 0.942 387 A CB 0.540 19.537 19.000 -0.005 0.000 1.005 387 A HN 0.573 nan 8.150 nan 0.000 0.514 388 A N 1.394 124.209 122.820 -0.009 0.000 2.425 388 A HA 0.558 4.878 4.320 -0.000 0.000 0.249 388 A C -2.506 175.073 177.584 -0.008 0.000 1.084 388 A CA -1.099 50.932 52.037 -0.009 0.000 0.781 388 A CB -0.521 18.472 19.000 -0.011 0.000 1.019 388 A HN 0.186 nan 8.150 nan 0.000 0.490 389 P HA 0.256 nan 4.420 nan 0.000 0.262 389 P C 1.002 178.298 177.300 -0.006 0.000 1.182 389 P CA 1.829 64.924 63.100 -0.008 0.000 0.761 389 P CB 0.581 32.276 31.700 -0.007 0.000 0.795 390 G N 2.491 111.284 108.800 -0.012 0.000 2.195 390 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 390 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 390 G C 1.159 176.052 174.900 -0.010 0.000 0.984 390 G CA 0.435 45.528 45.100 -0.012 0.000 0.633 390 G HN 0.587 nan 8.290 nan 0.000 0.525 391 S N -0.078 115.616 115.700 -0.010 0.000 2.515 391 S HA 0.229 4.699 4.470 -0.000 0.000 0.231 391 S C 1.590 176.176 174.600 -0.023 0.000 0.987 391 S CA 1.240 59.434 58.200 -0.009 0.000 0.936 391 S CB -0.403 62.791 63.200 -0.011 0.000 0.766 391 S HN 1.290 nan 8.310 nan 0.000 0.528 392 M N -0.181 119.398 119.600 -0.036 0.000 2.461 392 M HA -0.182 4.298 4.480 -0.000 0.000 0.203 392 M C 0.768 177.028 176.300 -0.066 0.000 0.428 392 M CA 0.427 55.689 55.300 -0.063 0.000 0.509 392 M CB -1.854 30.694 32.600 -0.087 0.000 1.851 392 M HN 0.498 nan 8.290 nan 0.000 0.834 393 I N 1.661 122.212 120.570 -0.031 0.000 2.399 393 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 393 I C 2.113 178.271 176.117 0.069 0.000 1.146 393 I CA 2.512 63.809 61.300 -0.004 0.000 1.412 393 I CB -0.025 38.003 38.000 0.046 0.000 1.076 393 I HN 0.582 nan 8.210 nan 0.000 0.432 394 D N 0.414 120.826 120.400 0.020 0.000 2.312 394 D HA -0.209 4.431 4.640 -0.000 0.000 0.211 394 D C 1.884 178.133 176.300 -0.085 0.000 0.964 394 D CA 0.668 54.674 54.000 0.010 0.000 0.877 394 D CB -0.415 40.367 40.800 -0.030 0.000 0.924 394 D HN 0.434 nan 8.370 nan 0.000 0.515 395 L N -0.574 120.530 121.223 -0.198 0.000 2.592 395 L HA 0.187 4.527 4.340 -0.000 0.000 0.227 395 L C 1.694 178.420 176.870 -0.240 0.000 1.127 395 L CA 0.215 54.778 54.840 -0.462 0.000 0.884 395 L CB -0.104 41.510 42.059 -0.740 0.000 1.065 395 L HN -0.193 nan 8.230 nan 0.000 0.457 396 M N -0.066 119.526 119.600 -0.013 0.000 2.686 396 M HA -0.072 4.408 4.480 -0.000 0.000 0.246 396 M C 1.871 178.264 176.300 0.155 0.000 1.096 396 M CA 0.723 56.033 55.300 0.016 0.000 1.076 396 M CB -0.817 31.538 32.600 -0.409 0.000 1.504 396 M HN 0.394 nan 8.290 nan 0.000 0.524 397 K N 0.831 121.413 120.400 0.303 0.000 2.362 397 K HA -0.181 4.139 4.320 -0.000 0.000 0.202 397 K C 1.491 178.211 176.600 0.199 0.000 1.045 397 K CA 1.379 57.815 56.287 0.248 0.000 0.936 397 K CB -0.999 31.577 32.500 0.128 0.000 0.747 397 K HN 0.489 nan 8.250 nan 0.000 0.467 398 F N 0.219 120.125 119.950 -0.072 0.000 2.811 398 F HA 0.194 4.721 4.527 0.000 0.000 0.301 398 F C 0.856 176.648 175.800 -0.012 0.000 1.151 398 F CA -0.468 57.515 58.000 -0.029 0.000 1.412 398 F CB 0.089 39.058 39.000 -0.052 0.000 1.113 398 F HN -0.116 nan 8.300 nan 0.000 0.579 399 D N 1.861 122.164 120.400 -0.162 0.000 2.363 399 D HA -0.049 4.591 4.640 -0.000 0.000 0.226 399 D C 1.368 177.539 176.300 -0.214 0.000 1.020 399 D CA 0.742 54.552 54.000 -0.317 0.000 0.892 399 D CB 0.007 40.715 40.800 -0.153 0.000 0.900 399 D HN 0.475 nan 8.370 nan 0.000 0.531 400 M N -2.014 117.503 119.600 -0.139 0.000 2.549 400 M HA 0.390 4.870 4.480 -0.000 0.000 0.273 400 M C 1.326 177.566 176.300 -0.100 0.000 1.213 400 M CA -0.172 55.069 55.300 -0.098 0.000 0.976 400 M CB 0.245 32.814 32.600 -0.052 0.000 1.457 400 M HN -0.325 nan 8.290 nan 0.000 0.485 401 S N 1.294 116.896 115.700 -0.163 0.000 2.399 401 S HA -0.010 4.460 4.470 -0.000 0.000 0.231 401 S C 1.978 176.549 174.600 -0.048 0.000 1.022 401 S CA 1.518 59.660 58.200 -0.097 0.000 0.983 401 S CB -0.671 62.446 63.200 -0.139 0.000 0.803 401 S HN 0.791 nan 8.310 nan 0.000 0.480 402 G N 0.233 108.996 108.800 -0.063 0.000 2.414 402 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 402 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 402 G C 1.754 176.659 174.900 0.008 0.000 1.188 402 G CA 1.002 46.097 45.100 -0.009 0.000 0.783 402 G HN 0.596 nan 8.290 nan 0.000 0.537 403 C N 1.124 120.412 119.300 -0.020 0.000 2.413 403 C HA 0.124 4.584 4.460 -0.000 0.000 0.276 403 C C 3.435 178.432 174.990 0.011 0.000 1.248 403 C CA 1.745 60.757 59.018 -0.011 0.000 1.742 403 C CB -1.107 26.606 27.740 -0.046 0.000 2.017 403 C HN 0.541 nan 8.230 nan 0.000 0.481 404 A N 0.417 123.228 122.820 -0.015 0.000 1.908 404 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 404 A C 2.509 180.106 177.584 0.021 0.000 1.181 404 A CA 2.397 54.420 52.037 -0.024 0.000 0.627 404 A CB -1.226 17.732 19.000 -0.070 0.000 0.818 404 A HN 0.922 nan 8.150 nan 0.000 0.445 405 A N -0.741 122.098 122.820 0.032 0.000 1.933 405 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 405 A C 2.229 179.866 177.584 0.087 0.000 1.175 405 A CA 1.791 53.857 52.037 0.048 0.000 0.628 405 A CB -0.839 18.198 19.000 0.062 0.000 0.814 405 A HN 0.389 nan 8.150 nan 0.000 0.444 406 V N 0.040 120.024 119.914 0.116 0.000 2.358 406 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 406 V C 2.535 178.748 176.094 0.199 0.000 1.047 406 V CA 1.843 64.269 62.300 0.209 0.000 1.035 406 V CB -0.649 31.300 31.823 0.210 0.000 0.658 406 V HN 0.572 nan 8.190 nan 0.000 0.452 407 L N 0.218 121.519 121.223 0.131 0.000 2.093 407 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 407 L C 2.651 179.585 176.870 0.108 0.000 1.085 407 L CA 1.638 56.542 54.840 0.107 0.000 0.755 407 L CB -1.173 41.016 42.059 0.217 0.000 0.904 407 L HN 0.455 nan 8.230 nan 0.000 0.435 408 G N -0.804 108.092 108.800 0.160 0.000 2.418 408 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 408 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 408 G C 1.820 176.770 174.900 0.082 0.000 1.158 408 G CA 0.831 46.010 45.100 0.132 0.000 0.771 408 G HN 0.461 nan 8.290 nan 0.000 0.545 409 C N 1.028 120.370 119.300 0.070 0.000 2.413 409 C HA 0.109 4.569 4.460 -0.000 0.000 0.276 409 C C 3.435 178.430 174.990 0.008 0.000 1.248 409 C CA 1.695 60.770 59.018 0.095 0.000 1.742 409 C CB -1.089 26.784 27.740 0.221 0.000 2.017 409 C HN 0.548 nan 8.230 nan 0.000 0.481 410 A N -1.079 121.562 122.820 -0.298 0.000 1.908 410 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 410 A C 2.042 179.407 177.584 -0.366 0.000 1.181 410 A CA 1.897 53.413 52.037 -0.869 0.000 0.627 410 A CB -1.239 17.028 19.000 -1.221 0.000 0.818 410 A HN 0.834 nan 8.150 nan 0.000 0.445 411 Y N 0.357 120.494 120.300 -0.272 0.000 2.128 411 Y HA -0.323 4.227 4.550 0.000 0.000 0.284 411 Y C 2.532 178.392 175.900 -0.066 0.000 1.154 411 Y CA 1.773 59.773 58.100 -0.166 0.000 1.149 411 Y CB -0.839 37.521 38.460 -0.167 0.000 0.976 411 Y HN 0.381 nan 8.280 nan 0.000 0.505 412 C N -1.020 118.178 119.300 -0.171 0.000 2.446 412 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 412 C C 2.806 177.680 174.990 -0.195 0.000 1.275 412 C CA 0.974 59.901 59.018 -0.150 0.000 1.727 412 C CB -1.206 26.570 27.740 0.061 0.000 2.010 412 C HN 0.502 nan 8.230 nan 0.000 0.486 413 V N 1.485 121.290 119.914 -0.181 0.000 2.307 413 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 413 V C 2.716 178.530 176.094 -0.467 0.000 1.045 413 V CA 2.382 64.518 62.300 -0.273 0.000 1.024 413 V CB -1.553 30.192 31.823 -0.129 0.000 0.651 413 V HN 0.632 nan 8.190 nan 0.000 0.449 414 G N -0.607 107.971 108.800 -0.370 0.000 2.462 414 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 414 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 414 G C 1.654 176.421 174.900 -0.221 0.000 1.121 414 G CA 1.654 46.611 45.100 -0.240 0.000 0.758 414 G HN 0.494 nan 8.290 nan 0.000 0.559 415 T N 0.616 114.967 114.554 -0.339 0.000 2.939 415 T HA 0.133 4.483 4.350 -0.000 0.000 0.254 415 T C 2.316 176.920 174.700 -0.159 0.000 1.041 415 T CA 0.367 62.292 62.100 -0.292 0.000 1.142 415 T CB -0.047 68.522 68.868 -0.497 0.000 0.874 415 T HN 0.135 nan 8.240 nan 0.000 0.452 416 L N 0.267 121.399 121.223 -0.151 0.000 2.341 416 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 416 L C 0.325 177.155 176.870 -0.066 0.000 1.115 416 L CA 0.267 55.061 54.840 -0.077 0.000 0.820 416 L CB -0.303 41.736 42.059 -0.033 0.000 0.944 416 L HN 0.204 nan 8.230 nan 0.000 0.452 417 K N 0.411 120.736 120.400 -0.125 0.000 4.007 417 K HA -0.143 4.177 4.320 -0.000 0.000 0.279 417 K C -2.226 174.408 176.600 0.057 0.000 0.919 417 K CA -0.286 55.988 56.287 -0.021 0.000 0.800 417 K CB -1.433 31.133 32.500 0.111 0.000 1.572 417 K HN 0.238 nan 8.250 nan 0.000 0.443 418 P HA 0.015 nan 4.420 nan 0.000 0.272 418 P C -0.163 177.245 177.300 0.179 0.000 1.223 418 P CA 0.207 63.344 63.100 0.062 0.000 0.784 418 P CB 0.714 32.423 31.700 0.015 0.000 0.923 419 E N 1.028 121.291 120.200 0.106 0.000 2.283 419 E HA 0.154 4.504 4.350 -0.000 0.000 0.267 419 E C 0.343 176.985 176.600 0.069 0.000 1.045 419 E CA -0.624 55.829 56.400 0.088 0.000 0.884 419 E CB 0.264 29.992 29.700 0.048 0.000 1.106 419 E HN 0.381 nan 8.360 nan 0.000 0.408 420 N N -1.138 117.590 118.700 0.046 0.000 2.800 420 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 420 N C -0.660 174.868 175.510 0.030 0.000 1.078 420 N CA 1.196 54.261 53.050 0.025 0.000 0.804 420 N CB -1.840 36.656 38.487 0.015 0.000 1.135 420 N HN 0.315 nan 8.380 nan 0.000 0.565 421 V N -2.962 116.989 119.914 0.063 0.000 3.007 421 V HA 0.769 4.889 4.120 -0.000 0.000 0.311 421 V C -0.278 175.858 176.094 0.070 0.000 1.120 421 V CA -0.870 61.471 62.300 0.067 0.000 0.980 421 V CB 3.058 34.931 31.823 0.085 0.000 1.033 421 V HN 0.170 nan 8.190 nan 0.000 0.429 422 E N 3.357 123.577 120.200 0.035 0.000 2.224 422 E HA 0.618 4.968 4.350 -0.000 0.000 0.265 422 E C -1.749 174.825 176.600 -0.043 0.000 0.878 422 E CA -0.842 55.547 56.400 -0.018 0.000 0.759 422 E CB 1.908 31.582 29.700 -0.044 0.000 1.164 422 E HN 0.768 nan 8.360 nan 0.000 0.414 423 I N 4.234 124.756 120.570 -0.081 0.000 2.465 423 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 423 I C -0.302 175.544 176.117 -0.452 0.000 1.014 423 I CA -0.710 60.453 61.300 -0.229 0.000 1.093 423 I CB 1.382 39.229 38.000 -0.254 0.000 1.267 423 I HN 0.608 nan 8.210 nan 0.000 0.431 424 H N 5.762 124.731 119.070 -0.169 0.000 2.458 424 H HA 0.471 5.027 4.556 -0.000 0.000 0.330 424 H C -1.244 173.956 175.328 -0.214 0.000 1.111 424 H CA -0.303 55.755 56.048 0.017 0.000 1.245 424 H CB 1.846 31.693 29.762 0.141 0.000 1.456 424 H HN 0.308 nan 8.280 nan 0.000 0.488 425 F N 3.199 123.350 119.950 0.335 0.000 2.403 425 F HA 0.359 4.886 4.527 0.000 0.000 0.355 425 F C -0.143 175.772 175.800 0.191 0.000 1.119 425 F CA -0.569 57.565 58.000 0.222 0.000 1.007 425 F CB 1.108 40.221 39.000 0.188 0.000 1.194 425 F HN 0.145 nan 8.300 nan 0.000 0.443 426 L N 2.481 123.827 121.223 0.204 0.000 2.362 426 L HA 0.765 5.105 4.340 -0.000 0.000 0.271 426 L C -0.325 176.429 176.870 -0.194 0.000 1.002 426 L CA -0.754 54.088 54.840 0.004 0.000 0.818 426 L CB 2.308 44.380 42.059 0.022 0.000 1.298 426 L HN 0.530 nan 8.230 nan 0.000 0.420 427 S N 1.239 116.621 115.700 -0.531 0.000 2.592 427 S HA 0.659 5.129 4.470 -0.000 0.000 0.275 427 S C -0.887 173.118 174.600 -0.992 0.000 1.169 427 S CA -0.443 57.420 58.200 -0.562 0.000 0.958 427 S CB 1.631 64.680 63.200 -0.253 0.000 1.095 427 S HN 0.695 nan 8.310 nan 0.000 0.471 428 A N 4.606 126.825 122.820 -1.002 0.000 2.666 428 A HA 0.583 4.903 4.320 -0.000 0.000 0.312 428 A C -0.116 177.196 177.584 -0.455 0.000 1.471 428 A CA -0.325 51.037 52.037 -1.124 0.000 1.134 428 A CB -0.335 17.846 19.000 -1.364 0.000 1.129 428 A HN 0.746 nan 8.150 nan 0.000 0.539 429 V N 2.417 122.271 119.914 -0.101 0.000 2.546 429 V HA 0.493 4.613 4.120 -0.000 0.000 0.284 429 V C 0.564 176.815 176.094 0.262 0.000 1.050 429 V CA -0.070 62.266 62.300 0.060 0.000 0.981 429 V CB 0.141 31.975 31.823 0.017 0.000 0.990 429 V HN 1.204 nan 8.190 nan 0.000 0.474 430 C N 2.277 121.687 119.300 0.183 0.000 3.272 430 C HA 0.770 5.230 4.460 -0.000 0.000 0.363 430 C C -0.874 174.179 174.990 0.105 0.000 1.514 430 C CA -0.932 58.175 59.018 0.147 0.000 1.185 430 C CB 1.577 29.396 27.740 0.132 0.000 1.716 430 C HN 0.879 nan 8.230 nan 0.000 0.440 431 E N 0.709 120.978 120.200 0.115 0.000 2.238 431 E HA 0.496 4.846 4.350 -0.000 0.000 0.267 431 E C -1.469 175.201 176.600 0.116 0.000 0.887 431 E CA -0.306 56.180 56.400 0.142 0.000 0.769 431 E CB 1.519 31.357 29.700 0.229 0.000 1.187 431 E HN 0.651 nan 8.360 nan 0.000 0.416 432 N N 4.910 123.674 118.700 0.106 0.000 2.609 432 N HA 0.236 4.976 4.740 -0.000 0.000 0.234 432 N C -1.176 174.404 175.510 0.117 0.000 1.001 432 N CA -0.162 52.944 53.050 0.092 0.000 0.926 432 N CB 0.433 38.955 38.487 0.058 0.000 1.130 432 N HN 0.419 nan 8.380 nan 0.000 0.510 433 M N 1.322 120.997 119.600 0.125 0.000 2.775 433 M HA 0.497 4.977 4.480 -0.000 0.000 0.296 433 M C -0.717 175.602 176.300 0.032 0.000 1.248 433 M CA -1.045 54.318 55.300 0.104 0.000 0.800 433 M CB 1.561 34.225 32.600 0.106 0.000 1.765 433 M HN -0.043 nan 8.290 nan 0.000 0.472 434 V N 0.540 120.427 119.914 -0.045 0.000 2.384 434 V HA 0.677 4.797 4.120 -0.000 0.000 0.287 434 V C -0.237 175.786 176.094 -0.118 0.000 1.020 434 V CA -0.251 61.919 62.300 -0.218 0.000 0.850 434 V CB 1.399 33.011 31.823 -0.352 0.000 0.987 434 V HN 0.944 nan 8.190 nan 0.000 0.436 435 S N 3.100 118.777 115.700 -0.037 0.000 2.625 435 S HA 0.386 4.856 4.470 -0.000 0.000 0.271 435 S C 0.802 175.499 174.600 0.161 0.000 1.161 435 S CA -0.320 57.911 58.200 0.051 0.000 0.820 435 S CB 1.869 65.102 63.200 0.054 0.000 1.137 435 S HN 0.848 nan 8.310 nan 0.000 0.470 436 K N 1.283 121.752 120.400 0.115 0.000 2.281 436 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 436 K C 0.772 177.438 176.600 0.111 0.000 1.046 436 K CA 2.071 58.428 56.287 0.117 0.000 0.938 436 K CB -0.563 31.974 32.500 0.062 0.000 0.737 436 K HN 0.530 nan 8.250 nan 0.000 0.458 437 N N 0.468 119.230 118.700 0.104 0.000 2.299 437 N HA 0.039 4.779 4.740 -0.000 0.000 0.187 437 N C -0.566 175.021 175.510 0.128 0.000 1.099 437 N CA -0.280 52.822 53.050 0.086 0.000 0.867 437 N CB 0.607 39.123 38.487 0.048 0.000 0.974 437 N HN 0.050 nan 8.380 nan 0.000 0.477 438 S N 1.033 116.859 115.700 0.210 0.000 2.579 438 S HA -0.009 4.461 4.470 -0.000 0.000 0.275 438 S C -0.114 174.675 174.600 0.314 0.000 1.345 438 S CA -0.578 57.799 58.200 0.295 0.000 1.031 438 S CB 0.128 63.581 63.200 0.423 0.000 0.892 438 S HN 0.298 nan 8.310 nan 0.000 0.529 439 Y N 1.112 121.468 120.300 0.093 0.000 2.457 439 Y HA 0.471 5.021 4.550 -0.000 0.000 0.341 439 Y C 0.158 176.095 175.900 0.063 0.000 1.240 439 Y CA -0.968 57.166 58.100 0.057 0.000 1.437 439 Y CB 0.163 38.647 38.460 0.040 0.000 1.328 439 Y HN 0.462 nan 8.280 nan 0.000 0.588 440 R N 2.779 123.217 120.500 -0.102 0.000 2.732 440 R HA 0.459 4.799 4.340 -0.000 0.000 0.278 440 R C -2.663 173.455 176.300 -0.304 0.000 0.976 440 R CA -2.181 53.766 56.100 -0.254 0.000 0.963 440 R CB 1.071 31.228 30.300 -0.238 0.000 1.150 440 R HN 0.472 nan 8.270 nan 0.000 0.478 441 P HA -0.052 nan 4.420 nan 0.000 0.262 441 P C 0.499 177.717 177.300 -0.136 0.000 1.182 441 P CA 1.158 64.144 63.100 -0.191 0.000 0.761 441 P CB 0.568 32.189 31.700 -0.131 0.000 0.795 442 G N 2.296 111.039 108.800 -0.095 0.000 2.258 442 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.233 442 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.233 442 G C 0.009 174.887 174.900 -0.037 0.000 1.006 442 G CA -0.261 44.804 45.100 -0.058 0.000 0.620 442 G HN 0.507 nan 8.290 nan 0.000 0.511 443 D N 0.713 121.091 120.400 -0.037 0.000 2.506 443 D HA 0.399 5.039 4.640 -0.000 0.000 0.234 443 D C 0.754 177.085 176.300 0.052 0.000 1.143 443 D CA 0.517 54.524 54.000 0.012 0.000 0.871 443 D CB 0.675 41.510 40.800 0.057 0.000 1.190 443 D HN 0.406 nan 8.370 nan 0.000 0.459 444 I N 2.994 123.597 120.570 0.055 0.000 2.354 444 I HA 0.337 4.507 4.170 -0.000 0.000 0.292 444 I C 0.234 176.406 176.117 0.091 0.000 0.989 444 I CA -0.682 60.667 61.300 0.081 0.000 1.188 444 I CB 0.880 38.923 38.000 0.072 0.000 1.342 444 I HN 0.208 nan 8.210 nan 0.000 0.457 445 I N 1.705 122.345 120.570 0.116 0.000 2.892 445 I HA 0.647 4.817 4.170 -0.000 0.000 0.306 445 I C -0.817 175.370 176.117 0.116 0.000 1.078 445 I CA -0.491 60.875 61.300 0.111 0.000 1.032 445 I CB 2.465 40.540 38.000 0.126 0.000 1.229 445 I HN 0.279 nan 8.210 nan 0.000 0.435 446 T N 3.430 118.043 114.554 0.098 0.000 2.770 446 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 446 T C 0.219 174.986 174.700 0.111 0.000 0.988 446 T CA -0.387 61.775 62.100 0.103 0.000 0.957 446 T CB 1.394 70.308 68.868 0.077 0.000 0.930 446 T HN 0.837 nan 8.240 nan 0.000 0.443 447 A N 2.260 125.170 122.820 0.151 0.000 2.327 447 A HA 0.474 4.794 4.320 -0.000 0.000 0.255 447 A C 1.687 179.349 177.584 0.130 0.000 1.099 447 A CA -0.168 51.961 52.037 0.153 0.000 0.801 447 A CB 0.001 19.157 19.000 0.260 0.000 1.062 447 A HN 0.934 nan 8.150 nan 0.000 0.496 448 S N 0.126 115.896 115.700 0.118 0.000 2.474 448 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 448 S C 0.903 175.553 174.600 0.083 0.000 0.997 448 S CA 1.101 59.355 58.200 0.091 0.000 0.949 448 S CB -0.512 62.739 63.200 0.086 0.000 0.766 448 S HN 0.877 nan 8.310 nan 0.000 0.517 449 N N 0.945 119.713 118.700 0.114 0.000 2.270 449 N HA 0.259 4.999 4.740 -0.000 0.000 0.198 449 N C 1.181 176.714 175.510 0.037 0.000 1.117 449 N CA 0.502 53.590 53.050 0.062 0.000 0.845 449 N CB -0.322 38.197 38.487 0.052 0.000 0.980 449 N HN 0.530 nan 8.380 nan 0.000 0.486 450 G N 0.122 108.959 108.800 0.062 0.000 2.199 450 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.254 450 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.254 450 G C -0.217 174.711 174.900 0.047 0.000 0.982 450 G CA 0.074 45.201 45.100 0.045 0.000 0.632 450 G HN 0.444 nan 8.290 nan 0.000 0.529 451 K N 2.309 122.744 120.400 0.058 0.000 2.416 451 K HA 0.355 4.675 4.320 -0.000 0.000 0.283 451 K C 0.937 177.611 176.600 0.123 0.000 1.037 451 K CA 0.770 57.088 56.287 0.052 0.000 0.995 451 K CB 0.440 32.926 32.500 -0.023 0.000 0.938 451 K HN 0.454 nan 8.250 nan 0.000 0.475 452 T N 0.646 115.259 114.554 0.097 0.000 2.889 452 T HA 0.505 4.855 4.350 -0.000 0.000 0.291 452 T C 0.259 175.056 174.700 0.162 0.000 0.995 452 T CA -0.714 61.460 62.100 0.122 0.000 1.092 452 T CB 0.533 69.459 68.868 0.097 0.000 0.954 452 T HN 0.353 nan 8.240 nan 0.000 0.506 453 I N 1.679 122.364 120.570 0.192 0.000 2.466 453 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 453 I C 0.060 176.289 176.117 0.187 0.000 1.026 453 I CA -0.792 60.654 61.300 0.243 0.000 1.078 453 I CB 2.229 40.428 38.000 0.333 0.000 1.249 453 I HN 0.743 nan 8.210 nan 0.000 0.429 454 E N 5.804 126.107 120.200 0.171 0.000 2.130 454 E HA 0.323 4.673 4.350 -0.000 0.000 0.284 454 E C -1.079 175.580 176.600 0.098 0.000 1.018 454 E CA -0.629 55.846 56.400 0.125 0.000 0.817 454 E CB 1.236 31.009 29.700 0.122 0.000 1.078 454 E HN 0.366 nan 8.360 nan 0.000 0.396 455 V N 5.155 125.111 119.914 0.070 0.000 2.439 455 V HA 0.121 4.241 4.120 -0.000 0.000 0.271 455 V C 1.184 177.262 176.094 -0.027 0.000 1.040 455 V CA 0.673 62.986 62.300 0.022 0.000 1.002 455 V CB 1.043 32.867 31.823 0.002 0.000 1.000 455 V HN 0.942 nan 8.190 nan 0.000 0.477 456 G N 3.860 112.640 108.800 -0.034 0.000 2.595 456 G HA2 0.027 3.987 3.960 -0.000 0.000 0.213 456 G HA3 0.027 3.987 3.960 -0.000 0.000 0.213 456 G C 0.550 175.412 174.900 -0.064 0.000 1.141 456 G CA 0.106 45.184 45.100 -0.037 0.000 0.806 456 G HN 0.598 nan 8.290 nan 0.000 0.530 457 N N -0.276 118.373 118.700 -0.085 0.000 2.648 457 N HA 0.038 4.778 4.740 -0.000 0.000 0.272 457 N C 0.993 176.436 175.510 -0.111 0.000 1.118 457 N CA 0.367 53.364 53.050 -0.088 0.000 0.973 457 N CB 1.299 39.750 38.487 -0.060 0.000 1.565 457 N HN -0.012 nan 8.380 nan 0.000 0.542 458 T N -0.888 113.560 114.554 -0.176 0.000 3.051 458 T HA -0.080 4.270 4.350 -0.000 0.000 0.269 458 T C 0.982 175.703 174.700 0.035 0.000 1.127 458 T CA 1.009 62.976 62.100 -0.223 0.000 1.107 458 T CB 0.064 68.694 68.868 -0.396 0.000 0.898 458 T HN 0.326 nan 8.240 nan 0.000 0.517 459 D N 1.619 122.017 120.400 -0.003 0.000 2.349 459 D HA 0.220 4.860 4.640 -0.000 0.000 0.224 459 D C 1.251 177.551 176.300 -0.000 0.000 1.029 459 D CA 0.227 54.230 54.000 0.005 0.000 0.879 459 D CB -0.339 40.451 40.800 -0.016 0.000 0.906 459 D HN 0.569 nan 8.370 nan 0.000 0.528 460 A N 0.926 123.741 122.820 -0.009 0.000 3.163 460 A HA 0.103 4.423 4.320 -0.000 0.000 0.283 460 A C 1.547 179.116 177.584 -0.025 0.000 1.412 460 A CA -0.291 51.719 52.037 -0.045 0.000 1.053 460 A CB -0.293 18.644 19.000 -0.105 0.000 1.082 460 A HN 0.165 nan 8.150 nan 0.000 0.639 461 E N 0.108 120.330 120.200 0.037 0.000 2.216 461 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 461 E C 1.577 178.176 176.600 -0.003 0.000 0.988 461 E CA 1.343 57.783 56.400 0.066 0.000 0.834 461 E CB -0.939 28.826 29.700 0.108 0.000 0.772 461 E HN 0.357 nan 8.360 nan 0.000 0.479 462 G N 2.652 111.440 108.800 -0.021 0.000 2.440 462 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 462 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 462 G C 1.882 176.762 174.900 -0.034 0.000 1.154 462 G CA 1.389 46.473 45.100 -0.026 0.000 0.767 462 G HN 0.484 nan 8.290 nan 0.000 0.552 463 R N 0.150 120.609 120.500 -0.068 0.000 2.189 463 R HA 0.210 4.550 4.340 -0.000 0.000 0.218 463 R C 2.193 178.489 176.300 -0.007 0.000 1.074 463 R CA 0.733 56.800 56.100 -0.055 0.000 0.991 463 R CB -0.492 29.698 30.300 -0.183 0.000 0.883 463 R HN 0.383 nan 8.270 nan 0.000 0.457 464 L N 1.661 122.851 121.223 -0.056 0.000 2.068 464 L HA -0.085 4.255 4.340 -0.000 0.000 0.204 464 L C 2.842 179.704 176.870 -0.014 0.000 1.076 464 L CA 1.800 56.635 54.840 -0.007 0.000 0.753 464 L CB -0.862 41.199 42.059 0.004 0.000 0.910 464 L HN 0.402 nan 8.230 nan 0.000 0.439 465 T N -1.404 113.151 114.554 0.002 0.000 2.720 465 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 465 T C 1.867 176.502 174.700 -0.107 0.000 1.037 465 T CA 1.127 63.220 62.100 -0.012 0.000 1.144 465 T CB -0.604 68.260 68.868 -0.007 0.000 0.864 465 T HN 0.208 nan 8.240 nan 0.000 0.444 466 L N 0.856 122.032 121.223 -0.077 0.000 2.201 466 L HA 0.090 4.430 4.340 -0.000 0.000 0.212 466 L C 3.316 180.126 176.870 -0.100 0.000 1.105 466 L CA 0.895 55.698 54.840 -0.062 0.000 0.775 466 L CB -0.756 41.300 42.059 -0.004 0.000 0.913 466 L HN 0.414 nan 8.230 nan 0.000 0.440 467 A N -0.014 122.676 122.820 -0.216 0.000 1.877 467 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 467 A C 1.985 179.389 177.584 -0.301 0.000 1.186 467 A CA 1.967 53.653 52.037 -0.585 0.000 0.620 467 A CB -0.480 17.757 19.000 -1.271 0.000 0.822 467 A HN 0.323 nan 8.150 nan 0.000 0.443 468 D N -0.165 120.147 120.400 -0.147 0.000 2.144 468 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 468 D C 2.206 178.559 176.300 0.088 0.000 0.978 468 D CA 1.347 55.353 54.000 0.010 0.000 0.833 468 D CB -0.290 40.565 40.800 0.091 0.000 0.961 468 D HN 0.418 nan 8.370 nan 0.000 0.470 469 A N 0.590 123.455 122.820 0.075 0.000 1.930 469 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 469 A C 2.375 180.070 177.584 0.186 0.000 1.175 469 A CA 0.733 52.888 52.037 0.196 0.000 0.627 469 A CB -0.589 18.419 19.000 0.013 0.000 0.815 469 A HN 0.185 nan 8.150 nan 0.000 0.443 470 L N -0.727 120.550 121.223 0.091 0.000 2.072 470 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 470 L C 2.506 179.426 176.870 0.084 0.000 1.079 470 L CA 0.824 55.709 54.840 0.076 0.000 0.752 470 L CB -0.554 41.497 42.059 -0.014 0.000 0.906 470 L HN 0.223 nan 8.230 nan 0.000 0.436 471 V N -0.695 119.279 119.914 0.099 0.000 2.287 471 V HA -0.364 3.756 4.120 -0.000 0.000 0.248 471 V C 2.245 178.388 176.094 0.082 0.000 1.053 471 V CA 2.104 64.459 62.300 0.092 0.000 1.027 471 V CB -0.678 31.217 31.823 0.120 0.000 0.646 471 V HN 0.414 nan 8.190 nan 0.000 0.447 472 Y N 1.071 121.358 120.300 -0.022 0.000 2.181 472 Y HA -0.225 4.325 4.550 0.000 0.000 0.288 472 Y C 2.390 178.251 175.900 -0.066 0.000 1.146 472 Y CA 1.758 59.813 58.100 -0.075 0.000 1.164 472 Y CB -0.412 37.960 38.460 -0.146 0.000 0.982 472 Y HN 0.164 nan 8.280 nan 0.000 0.515 473 A N 0.073 123.015 122.820 0.202 0.000 1.877 473 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 473 A C 2.174 179.744 177.584 -0.023 0.000 1.186 473 A CA 1.910 54.002 52.037 0.091 0.000 0.620 473 A CB -0.923 18.165 19.000 0.146 0.000 0.822 473 A HN 0.644 nan 8.150 nan 0.000 0.443 474 E N -0.084 120.113 120.200 -0.005 0.000 2.150 474 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 474 E C 1.766 178.319 176.600 -0.078 0.000 0.985 474 E CA 1.134 57.518 56.400 -0.026 0.000 0.814 474 E CB -0.088 29.602 29.700 -0.017 0.000 0.752 474 E HN 0.576 nan 8.360 nan 0.000 0.466 475 K N -0.034 120.290 120.400 -0.126 0.000 2.362 475 K HA -0.110 4.210 4.320 -0.000 0.000 0.200 475 K C 1.589 178.065 176.600 -0.207 0.000 1.046 475 K CA 0.272 56.458 56.287 -0.168 0.000 0.952 475 K CB 0.099 32.463 32.500 -0.227 0.000 0.753 475 K HN 0.157 nan 8.250 nan 0.000 0.466 476 L N 0.109 121.186 121.223 -0.244 0.000 2.376 476 L HA 0.003 4.343 4.340 -0.000 0.000 0.219 476 L C 1.002 177.784 176.870 -0.146 0.000 1.133 476 L CA 1.208 55.893 54.840 -0.259 0.000 0.816 476 L CB -0.867 40.952 42.059 -0.400 0.000 0.933 476 L HN 0.385 nan 8.230 nan 0.000 0.449 477 G N 0.235 108.976 108.800 -0.099 0.000 2.368 477 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.290 477 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.290 477 G C 0.122 175.002 174.900 -0.032 0.000 1.098 477 G CA 0.251 45.318 45.100 -0.056 0.000 1.073 477 G HN 0.423 nan 8.290 nan 0.000 0.511 478 V N -2.924 116.978 119.914 -0.021 0.000 2.966 478 V HA 0.750 4.870 4.120 -0.000 0.000 0.317 478 V C 1.065 177.130 176.094 -0.048 0.000 1.070 478 V CA -0.019 62.281 62.300 0.001 0.000 1.008 478 V CB 1.806 33.667 31.823 0.063 0.000 1.070 478 V HN 0.084 nan 8.190 nan 0.000 0.457 479 D N -0.060 120.257 120.400 -0.137 0.000 2.137 479 D HA 0.053 4.693 4.640 -0.000 0.000 0.202 479 D C -0.317 175.771 176.300 -0.354 0.000 0.970 479 D CA 2.059 55.846 54.000 -0.355 0.000 0.837 479 D CB 0.047 40.469 40.800 -0.631 0.000 0.981 479 D HN 0.661 nan 8.370 nan 0.000 0.475 480 Y N -0.451 119.933 120.300 0.139 0.000 2.457 480 Y HA 0.474 5.024 4.550 -0.000 0.000 0.343 480 Y C -0.109 175.908 175.900 0.194 0.000 0.994 480 Y CA -0.967 57.243 58.100 0.184 0.000 1.031 480 Y CB 1.649 40.275 38.460 0.277 0.000 1.246 480 Y HN -0.302 nan 8.280 nan 0.000 0.449 481 I N 3.418 124.217 120.570 0.381 0.000 2.378 481 I HA 0.593 4.763 4.170 -0.000 0.000 0.291 481 I C -0.980 175.319 176.117 0.302 0.000 0.992 481 I CA -1.028 60.476 61.300 0.339 0.000 1.154 481 I CB 1.616 39.834 38.000 0.364 0.000 1.315 481 I HN 0.242 nan 8.210 nan 0.000 0.448 482 V N 4.792 124.828 119.914 0.204 0.000 2.483 482 V HA 0.283 4.403 4.120 -0.000 0.000 0.297 482 V C -0.733 175.434 176.094 0.122 0.000 1.027 482 V CA -0.612 61.717 62.300 0.049 0.000 0.855 482 V CB 1.883 33.631 31.823 -0.125 0.000 0.995 482 V HN 0.879 nan 8.190 nan 0.000 0.424 483 D N 4.030 124.528 120.400 0.163 0.000 2.272 483 D HA 0.713 5.353 4.640 -0.000 0.000 0.247 483 D C -0.565 175.831 176.300 0.161 0.000 0.990 483 D CA -0.616 53.512 54.000 0.214 0.000 0.931 483 D CB 2.550 43.556 40.800 0.345 0.000 1.195 483 D HN 0.510 nan 8.370 nan 0.000 0.477 484 I N 0.296 120.950 120.570 0.140 0.000 2.569 484 I HA 0.709 4.879 4.170 -0.000 0.000 0.290 484 I C -1.821 174.356 176.117 0.100 0.000 1.088 484 I CA -0.565 60.795 61.300 0.099 0.000 1.047 484 I CB 1.421 39.465 38.000 0.074 0.000 1.237 484 I HN 0.790 nan 8.210 nan 0.000 0.421 485 A N 3.388 126.266 122.820 0.096 0.000 2.566 485 A HA 0.562 4.882 4.320 -0.000 0.000 0.297 485 A C -0.423 177.175 177.584 0.023 0.000 1.059 485 A CA -0.390 51.692 52.037 0.075 0.000 0.691 485 A CB 1.345 20.441 19.000 0.160 0.000 1.282 485 A HN 0.694 nan 8.150 nan 0.000 0.401 486 T N 1.125 115.631 114.554 -0.081 0.000 4.104 486 T HA 0.310 4.660 4.350 -0.000 0.000 0.285 486 T C 0.739 175.418 174.700 -0.035 0.000 1.346 486 T CA -0.043 61.978 62.100 -0.131 0.000 1.158 486 T CB -0.372 68.216 68.868 -0.465 0.000 1.290 486 T HN 0.547 nan 8.240 nan 0.000 0.975 487 L N 2.629 123.886 121.223 0.057 0.000 2.145 487 L HA 0.308 4.648 4.340 -0.000 0.000 0.201 487 L C 1.106 178.021 176.870 0.074 0.000 1.075 487 L CA 1.235 56.124 54.840 0.081 0.000 0.773 487 L CB 0.032 42.197 42.059 0.176 0.000 0.936 487 L HN 0.813 nan 8.230 nan 0.000 0.451 488 T N -4.468 110.149 114.554 0.104 0.000 2.928 488 T HA 0.487 4.837 4.350 -0.000 0.000 0.296 488 T C 0.892 175.672 174.700 0.134 0.000 1.000 488 T CA -0.308 61.853 62.100 0.101 0.000 0.989 488 T CB 1.274 70.201 68.868 0.098 0.000 1.005 488 T HN 0.133 nan 8.240 nan 0.000 0.442 489 G N 1.429 110.309 108.800 0.134 0.000 2.501 489 G HA2 0.016 3.976 3.960 -0.000 0.000 0.220 489 G HA3 0.016 3.976 3.960 -0.000 0.000 0.220 489 G C 1.553 176.588 174.900 0.224 0.000 1.114 489 G CA 0.591 45.793 45.100 0.170 0.000 0.757 489 G HN 1.173 nan 8.290 nan 0.000 0.559 490 A N 0.535 123.472 122.820 0.194 0.000 2.076 490 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 490 A C 2.338 180.071 177.584 0.248 0.000 1.160 490 A CA 1.600 53.778 52.037 0.235 0.000 0.653 490 A CB -0.289 18.790 19.000 0.130 0.000 0.801 490 A HN 0.314 nan 8.150 nan 0.000 0.455 491 M N -0.562 119.154 119.600 0.193 0.000 2.213 491 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 491 M C 1.987 178.345 176.300 0.098 0.000 1.062 491 M CA 1.120 56.515 55.300 0.158 0.000 1.105 491 M CB -1.359 31.329 32.600 0.146 0.000 1.385 491 M HN 0.430 nan 8.290 nan 0.000 0.417 492 L N -1.695 119.568 121.223 0.065 0.000 2.191 492 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 492 L C 1.933 178.639 176.870 -0.273 0.000 1.103 492 L CA 1.222 55.990 54.840 -0.120 0.000 0.769 492 L CB -0.583 41.340 42.059 -0.225 0.000 0.908 492 L HN 0.238 nan 8.230 nan 0.000 0.438 493 Y N -1.570 118.732 120.300 0.004 0.000 2.510 493 Y HA -0.054 4.496 4.550 -0.000 0.000 0.273 493 Y C 2.667 178.561 175.900 -0.010 0.000 1.119 493 Y CA 0.663 58.758 58.100 -0.009 0.000 1.286 493 Y CB 0.043 38.499 38.460 -0.005 0.000 1.061 493 Y HN 0.213 nan 8.280 nan 0.000 0.542 494 S N -0.941 114.835 115.700 0.125 0.000 2.541 494 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 494 S C 1.466 176.057 174.600 -0.014 0.000 1.025 494 S CA 0.352 58.596 58.200 0.072 0.000 0.917 494 S CB -0.519 62.751 63.200 0.117 0.000 0.859 494 S HN 0.314 nan 8.310 nan 0.000 0.584 495 L N 1.069 122.285 121.223 -0.011 0.000 2.575 495 L HA 0.424 4.764 4.340 -0.000 0.000 0.228 495 L C 1.519 178.335 176.870 -0.091 0.000 1.075 495 L CA 0.333 55.126 54.840 -0.078 0.000 0.867 495 L CB -0.275 41.782 42.059 -0.003 0.000 1.097 495 L HN 0.735 nan 8.230 nan 0.000 0.485 496 G N 1.057 109.825 108.800 -0.053 0.000 2.527 496 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.227 496 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.227 496 G C 0.539 175.443 174.900 0.006 0.000 1.291 496 G CA 0.119 45.182 45.100 -0.061 0.000 0.904 496 G HN 0.190 nan 8.290 nan 0.000 0.577 497 T N -2.399 112.175 114.554 0.032 0.000 3.107 497 T HA 0.469 4.819 4.350 -0.000 0.000 0.249 497 T C 1.988 176.752 174.700 0.107 0.000 1.096 497 T CA 1.686 63.855 62.100 0.115 0.000 1.012 497 T CB 0.395 69.373 68.868 0.184 0.000 0.977 497 T HN 1.687 nan 8.240 nan 0.000 0.527 498 S N -0.403 115.363 115.700 0.109 0.000 2.564 498 S HA 0.319 4.789 4.470 -0.000 0.000 0.231 498 S C -0.027 174.800 174.600 0.379 0.000 1.067 498 S CA -0.722 57.606 58.200 0.213 0.000 0.908 498 S CB 0.032 63.349 63.200 0.194 0.000 0.809 498 S HN 0.607 nan 8.310 nan 0.000 0.491 499 Y N 1.702 122.007 120.300 0.008 0.000 2.352 499 Y HA 0.704 5.254 4.550 -0.000 0.000 0.339 499 Y C 0.568 176.443 175.900 -0.042 0.000 0.992 499 Y CA -1.194 56.930 58.100 0.039 0.000 1.100 499 Y CB 1.740 40.234 38.460 0.057 0.000 1.192 499 Y HN 0.341 nan 8.280 nan 0.000 0.458 500 A N 2.085 124.928 122.820 0.037 0.000 2.332 500 A HA 0.615 4.935 4.320 -0.000 0.000 0.258 500 A C 0.359 177.997 177.584 0.091 0.000 1.087 500 A CA 0.027 52.035 52.037 -0.049 0.000 0.802 500 A CB 0.119 19.043 19.000 -0.126 0.000 1.042 500 A HN 0.858 nan 8.150 nan 0.000 0.489 501 G N -0.930 107.901 108.800 0.052 0.000 2.356 501 G HA2 0.524 4.484 3.960 -0.000 0.000 0.322 501 G HA3 0.524 4.484 3.960 -0.000 0.000 0.322 501 G C -0.979 173.847 174.900 -0.123 0.000 1.125 501 G CA -0.264 44.829 45.100 -0.011 0.000 0.885 501 G HN 1.227 nan 8.290 nan 0.000 0.467 502 V N 2.746 122.526 119.914 -0.222 0.000 2.495 502 V HA 0.834 4.954 4.120 -0.000 0.000 0.298 502 V C -1.222 174.691 176.094 -0.303 0.000 1.031 502 V CA -0.938 61.236 62.300 -0.210 0.000 0.871 502 V CB 1.038 32.748 31.823 -0.189 0.000 0.988 502 V HN 0.538 nan 8.190 nan 0.000 0.432 503 F N 4.319 124.243 119.950 -0.044 0.000 2.561 503 F HA 0.974 5.501 4.527 -0.000 0.000 0.321 503 F C 0.721 176.396 175.800 -0.208 0.000 1.065 503 F CA 0.027 58.056 58.000 0.048 0.000 0.934 503 F CB 2.516 41.600 39.000 0.140 0.000 1.215 503 F HN 0.793 nan 8.300 nan 0.000 0.471 504 G N 0.548 109.389 108.800 0.070 0.000 2.550 504 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 504 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 504 G C -1.230 173.761 174.900 0.153 0.000 1.402 504 G CA -0.889 44.106 45.100 -0.175 0.000 0.784 504 G HN 0.600 nan 8.290 nan 0.000 0.482 505 N N -0.522 118.331 118.700 0.254 0.000 2.203 505 N HA 0.104 4.844 4.740 -0.000 0.000 0.207 505 N C -0.076 175.549 175.510 0.191 0.000 1.130 505 N CA -0.316 52.920 53.050 0.311 0.000 0.861 505 N CB 0.631 39.376 38.487 0.431 0.000 1.005 505 N HN 0.440 nan 8.380 nan 0.000 0.507 506 N N 0.511 119.274 118.700 0.105 0.000 2.549 506 N HA 0.021 4.761 4.740 -0.000 0.000 0.290 506 N C -0.425 175.045 175.510 -0.066 0.000 1.122 506 N CA -0.077 53.006 53.050 0.055 0.000 0.885 506 N CB 1.774 40.320 38.487 0.098 0.000 1.455 506 N HN 0.132 nan 8.380 nan 0.000 0.521 507 E N 2.544 122.702 120.200 -0.070 0.000 2.110 507 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 507 E C 1.654 178.111 176.600 -0.238 0.000 0.988 507 E CA 2.132 58.405 56.400 -0.212 0.000 0.804 507 E CB 0.324 29.966 29.700 -0.097 0.000 0.745 507 E HN 0.776 nan 8.360 nan 0.000 0.458 508 E N 0.844 120.974 120.200 -0.116 0.000 2.077 508 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 508 E C 1.854 178.361 176.600 -0.154 0.000 0.989 508 E CA 1.415 57.757 56.400 -0.097 0.000 0.800 508 E CB -0.942 28.756 29.700 -0.003 0.000 0.746 508 E HN 0.266 nan 8.360 nan 0.000 0.452 509 L N -0.026 121.102 121.223 -0.158 0.000 2.056 509 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 509 L C 2.501 179.155 176.870 -0.360 0.000 1.078 509 L CA 1.718 56.393 54.840 -0.274 0.000 0.749 509 L CB -0.334 41.603 42.059 -0.203 0.000 0.901 509 L HN 0.407 nan 8.230 nan 0.000 0.433 510 I N 0.131 120.455 120.570 -0.410 0.000 2.208 510 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 510 I C 2.079 177.887 176.117 -0.514 0.000 1.097 510 I CA 1.315 62.274 61.300 -0.568 0.000 1.363 510 I CB -0.582 36.862 38.000 -0.928 0.000 1.051 510 I HN 0.369 nan 8.210 nan 0.000 0.413 511 N N 0.876 119.311 118.700 -0.442 0.000 2.223 511 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 511 N C 1.725 177.108 175.510 -0.212 0.000 1.016 511 N CA 1.169 54.030 53.050 -0.314 0.000 0.863 511 N CB -0.199 38.144 38.487 -0.240 0.000 0.983 511 N HN 0.394 nan 8.380 nan 0.000 0.429 512 K N 0.343 120.631 120.400 -0.186 0.000 2.057 512 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 512 K C 1.798 178.345 176.600 -0.089 0.000 1.049 512 K CA 0.664 56.907 56.287 -0.073 0.000 0.931 512 K CB 0.037 32.552 32.500 0.024 0.000 0.714 512 K HN 0.108 nan 8.250 nan 0.000 0.440 513 I N 1.414 121.817 120.570 -0.278 0.000 2.252 513 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 513 I C 2.238 178.234 176.117 -0.202 0.000 1.102 513 I CA 1.390 62.500 61.300 -0.317 0.000 1.385 513 I CB -0.960 36.787 38.000 -0.422 0.000 1.064 513 I HN 0.182 nan 8.210 nan 0.000 0.414 514 L N 0.071 121.163 121.223 -0.218 0.000 2.046 514 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 514 L C 2.665 179.465 176.870 -0.117 0.000 1.077 514 L CA 1.214 55.949 54.840 -0.175 0.000 0.747 514 L CB -0.619 41.310 42.059 -0.216 0.000 0.896 514 L HN 0.251 nan 8.230 nan 0.000 0.432 515 Q N 0.247 119.988 119.800 -0.097 0.000 2.084 515 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 515 Q C 2.263 178.246 176.000 -0.028 0.000 0.978 515 Q CA 2.206 57.977 55.803 -0.053 0.000 0.844 515 Q CB -0.217 28.499 28.738 -0.038 0.000 0.898 515 Q HN 0.341 nan 8.270 nan 0.000 0.426 516 S N -0.392 115.301 115.700 -0.011 0.000 2.382 516 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 516 S C 1.936 176.519 174.600 -0.028 0.000 1.027 516 S CA 1.072 59.282 58.200 0.017 0.000 0.991 516 S CB -0.571 62.667 63.200 0.064 0.000 0.823 516 S HN 0.523 nan 8.310 nan 0.000 0.469 517 S N 1.528 117.188 115.700 -0.067 0.000 2.368 517 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 517 S C 1.926 176.473 174.600 -0.088 0.000 1.030 517 S CA 1.559 59.706 58.200 -0.089 0.000 0.999 517 S CB -0.288 62.856 63.200 -0.092 0.000 0.844 517 S HN 0.551 nan 8.310 nan 0.000 0.459 518 K N 0.035 120.393 120.400 -0.070 0.000 2.057 518 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 518 K C 2.097 178.670 176.600 -0.045 0.000 1.049 518 K CA 1.871 58.122 56.287 -0.061 0.000 0.931 518 K CB -0.545 31.928 32.500 -0.044 0.000 0.714 518 K HN 0.629 nan 8.250 nan 0.000 0.440 519 T N -1.914 112.630 114.554 -0.016 0.000 3.043 519 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 519 T C 1.880 176.610 174.700 0.050 0.000 1.094 519 T CA 0.921 63.033 62.100 0.020 0.000 1.127 519 T CB -0.012 68.880 68.868 0.039 0.000 0.905 519 T HN 0.270 nan 8.240 nan 0.000 0.490 520 S N 1.445 117.160 115.700 0.024 0.000 2.528 520 S HA 0.092 4.562 4.470 -0.000 0.000 0.219 520 S C 0.978 175.576 174.600 -0.002 0.000 0.985 520 S CA -0.045 58.187 58.200 0.053 0.000 0.914 520 S CB -0.623 62.566 63.200 -0.017 0.000 0.776 520 S HN 0.505 nan 8.310 nan 0.000 0.526 521 N N 1.769 120.393 118.700 -0.126 0.000 2.725 521 N HA -0.132 4.608 4.740 -0.000 0.000 0.249 521 N C -1.208 174.140 175.510 -0.270 0.000 1.103 521 N CA 0.992 53.848 53.050 -0.324 0.000 0.707 521 N CB -1.296 36.729 38.487 -0.770 0.000 1.043 521 N HN 0.732 nan 8.380 nan 0.000 0.553 522 E N 0.778 120.861 120.200 -0.195 0.000 2.073 522 E HA 0.268 4.618 4.350 -0.000 0.000 0.269 522 E C -2.396 174.141 176.600 -0.106 0.000 0.917 522 E CA -1.609 54.650 56.400 -0.236 0.000 0.757 522 E CB 1.168 30.506 29.700 -0.603 0.000 1.111 522 E HN 0.101 nan 8.360 nan 0.000 0.410 523 P HA 0.111 nan 4.420 nan 0.000 0.276 523 P C -0.629 176.627 177.300 -0.073 0.000 1.230 523 P CA -0.225 62.719 63.100 -0.260 0.000 0.776 523 P CB 1.016 32.271 31.700 -0.742 0.000 0.888 524 V N 3.842 123.712 119.914 -0.073 0.000 2.876 524 V HA 0.462 4.582 4.120 -0.000 0.000 0.312 524 V C -0.942 175.279 176.094 0.212 0.000 1.085 524 V CA -0.620 61.736 62.300 0.093 0.000 0.945 524 V CB 2.913 34.766 31.823 0.049 0.000 1.017 524 V HN 0.642 nan 8.190 nan 0.000 0.428 525 W N 3.614 124.958 121.300 0.072 0.000 2.702 525 W HA 0.404 5.064 4.660 0.000 0.000 0.331 525 W C -1.282 175.275 176.519 0.063 0.000 1.049 525 W CA -0.847 56.568 57.345 0.116 0.000 1.230 525 W CB 1.979 31.557 29.460 0.197 0.000 1.408 525 W HN 0.762 nan 8.180 nan 0.000 0.492 526 W N 7.603 128.653 121.300 -0.417 0.000 2.368 526 W HA 0.411 5.071 4.660 -0.000 0.000 0.316 526 W C -1.288 175.071 176.519 -0.267 0.000 1.375 526 W CA -0.436 56.687 57.345 -0.370 0.000 1.261 526 W CB 0.007 29.228 29.460 -0.399 0.000 1.298 526 W HN 0.176 nan 8.180 nan 0.000 0.539 527 L N 9.196 130.274 121.223 -0.243 0.000 2.333 527 L HA 0.544 4.884 4.340 -0.000 0.000 0.269 527 L C -1.738 174.931 176.870 -0.336 0.000 1.010 527 L CA -2.275 52.326 54.840 -0.398 0.000 0.818 527 L CB 2.290 43.984 42.059 -0.608 0.000 1.306 527 L HN 0.279 nan 8.230 nan 0.000 0.430 528 P HA 0.292 nan 4.420 nan 0.000 0.286 528 P C -0.907 176.584 177.300 0.317 0.000 1.261 528 P CA -0.347 62.746 63.100 -0.011 0.000 0.821 528 P CB 1.320 32.958 31.700 -0.104 0.000 1.013 529 I N 3.463 124.217 120.570 0.308 0.000 2.291 529 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 529 I C 0.639 176.835 176.117 0.131 0.000 1.064 529 I CA -0.529 60.946 61.300 0.291 0.000 1.269 529 I CB 0.161 38.357 38.000 0.327 0.000 1.418 529 I HN 0.116 nan 8.210 nan 0.000 0.485 530 I N 6.807 127.410 120.570 0.055 0.000 2.308 530 I HA 0.087 4.257 4.170 -0.000 0.000 0.293 530 I C 1.224 177.224 176.117 -0.195 0.000 1.078 530 I CA -0.187 61.010 61.300 -0.172 0.000 1.292 530 I CB 0.419 38.135 38.000 -0.473 0.000 1.423 530 I HN 0.565 nan 8.210 nan 0.000 0.493 531 N N 4.296 122.933 118.700 -0.104 0.000 2.289 531 N HA -0.193 4.547 4.740 -0.000 0.000 0.184 531 N C 1.602 177.068 175.510 -0.074 0.000 1.016 531 N CA 0.886 53.908 53.050 -0.047 0.000 0.872 531 N CB 0.052 38.533 38.487 -0.009 0.000 0.973 531 N HN 0.607 nan 8.380 nan 0.000 0.433 532 E N 0.155 120.248 120.200 -0.178 0.000 2.209 532 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 532 E C 0.908 177.507 176.600 -0.002 0.000 0.993 532 E CA 1.010 57.334 56.400 -0.127 0.000 0.819 532 E CB -0.078 29.512 29.700 -0.184 0.000 0.745 532 E HN 0.573 nan 8.360 nan 0.000 0.477 533 Y N -1.089 119.239 120.300 0.048 0.000 2.546 533 Y HA 0.008 4.558 4.550 0.000 0.000 0.287 533 Y C 2.225 178.155 175.900 0.050 0.000 1.158 533 Y CA -0.155 57.974 58.100 0.048 0.000 1.307 533 Y CB 0.128 38.621 38.460 0.055 0.000 1.036 533 Y HN -0.022 nan 8.280 nan 0.000 0.532 534 R N 1.991 122.585 120.500 0.156 0.000 2.091 534 R HA -0.184 4.156 4.340 -0.000 0.000 0.238 534 R C 2.213 178.572 176.300 0.098 0.000 1.136 534 R CA 1.698 57.867 56.100 0.115 0.000 0.959 534 R CB -0.951 29.388 30.300 0.066 0.000 0.856 534 R HN 0.241 nan 8.270 nan 0.000 0.437 535 A N -0.495 122.375 122.820 0.084 0.000 2.084 535 A HA -0.177 4.143 4.320 -0.000 0.000 0.221 535 A C 2.030 179.655 177.584 0.069 0.000 1.161 535 A CA 2.118 54.194 52.037 0.064 0.000 0.653 535 A CB -1.163 17.869 19.000 0.053 0.000 0.802 535 A HN 0.662 nan 8.150 nan 0.000 0.457 536 T N -2.671 111.938 114.554 0.091 0.000 3.118 536 T HA 0.202 4.552 4.350 -0.000 0.000 0.260 536 T C 1.234 175.979 174.700 0.074 0.000 1.139 536 T CA 0.730 62.873 62.100 0.072 0.000 1.085 536 T CB -0.327 68.579 68.868 0.064 0.000 0.934 536 T HN 0.334 nan 8.240 nan 0.000 0.518 537 L N 0.626 121.906 121.223 0.095 0.000 2.592 537 L HA 0.302 4.642 4.340 -0.000 0.000 0.227 537 L C 0.163 177.089 176.870 0.094 0.000 1.127 537 L CA -0.434 54.475 54.840 0.115 0.000 0.884 537 L CB -0.370 41.787 42.059 0.164 0.000 1.065 537 L HN 0.135 nan 8.230 nan 0.000 0.457 538 N N 0.956 119.693 118.700 0.062 0.000 2.452 538 N HA 0.020 4.760 4.740 -0.000 0.000 0.266 538 N C -0.067 175.465 175.510 0.038 0.000 1.175 538 N CA 0.294 53.367 53.050 0.040 0.000 0.945 538 N CB 1.221 39.720 38.487 0.020 0.000 1.063 538 N HN -0.075 nan 8.380 nan 0.000 0.472 539 S N 1.226 116.950 115.700 0.040 0.000 2.541 539 S HA 0.210 4.680 4.470 -0.000 0.000 0.283 539 S C 1.228 175.817 174.600 -0.019 0.000 1.196 539 S CA -0.653 57.574 58.200 0.044 0.000 1.062 539 S CB 1.150 64.403 63.200 0.089 0.000 1.009 539 S HN 0.513 nan 8.310 nan 0.000 0.502 540 K N 3.199 123.562 120.400 -0.062 0.000 2.148 540 K HA -0.004 4.316 4.320 -0.000 0.000 0.204 540 K C 0.648 176.961 176.600 -0.478 0.000 1.050 540 K CA 1.965 58.083 56.287 -0.282 0.000 0.942 540 K CB -0.312 31.978 32.500 -0.351 0.000 0.724 540 K HN 0.784 nan 8.250 nan 0.000 0.446 541 Y N -1.183 119.131 120.300 0.022 0.000 2.609 541 Y HA 0.454 5.004 4.550 0.000 0.000 0.281 541 Y C 0.983 176.900 175.900 0.028 0.000 1.132 541 Y CA 0.069 58.182 58.100 0.022 0.000 1.264 541 Y CB -0.155 38.317 38.460 0.020 0.000 1.325 541 Y HN 0.022 nan 8.280 nan 0.000 0.514 542 A N 0.126 123.052 122.820 0.176 0.000 2.239 542 A HA 0.238 4.558 4.320 -0.000 0.000 0.303 542 A C 0.644 178.278 177.584 0.083 0.000 1.114 542 A CA -0.084 52.031 52.037 0.130 0.000 0.871 542 A CB 0.087 19.173 19.000 0.142 0.000 1.201 542 A HN 0.237 nan 8.150 nan 0.000 0.506 543 D N -0.828 119.616 120.400 0.072 0.000 2.219 543 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 543 D C 0.263 176.588 176.300 0.042 0.000 0.970 543 D CA 1.582 55.604 54.000 0.036 0.000 0.851 543 D CB 0.104 40.910 40.800 0.011 0.000 0.943 543 D HN 0.411 nan 8.370 nan 0.000 0.488 544 I N -0.328 120.300 120.570 0.096 0.000 2.842 544 I HA 0.119 4.289 4.170 -0.000 0.000 0.297 544 I C -1.536 174.703 176.117 0.204 0.000 1.380 544 I CA -0.765 60.615 61.300 0.133 0.000 1.018 544 I CB 1.945 40.013 38.000 0.114 0.000 1.311 544 I HN -0.351 nan 8.210 nan 0.000 0.439 545 N N 5.176 123.995 118.700 0.199 0.000 2.514 545 N HA 0.145 4.885 4.740 -0.000 0.000 0.277 545 N C 0.360 176.024 175.510 0.258 0.000 1.126 545 N CA -0.159 53.003 53.050 0.187 0.000 0.978 545 N CB 1.729 40.287 38.487 0.119 0.000 1.106 545 N HN 0.662 nan 8.380 nan 0.000 0.461 546 Q N 1.966 121.839 119.800 0.123 0.000 2.124 546 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 546 Q C 0.298 176.167 176.000 -0.219 0.000 0.977 546 Q CA 1.248 56.937 55.803 -0.190 0.000 0.850 546 Q CB 0.170 28.812 28.738 -0.159 0.000 0.901 546 Q HN 0.761 nan 8.270 nan 0.000 0.429 547 I N -3.905 116.627 120.570 -0.063 0.000 3.042 547 I HA 0.486 4.656 4.170 -0.000 0.000 0.310 547 I C -0.530 175.590 176.117 0.005 0.000 1.117 547 I CA -1.199 60.072 61.300 -0.049 0.000 1.003 547 I CB 2.079 40.043 38.000 -0.061 0.000 1.228 547 I HN -0.262 nan 8.210 nan 0.000 0.443 548 S N 0.817 116.516 115.700 -0.001 0.000 2.565 548 S HA 0.297 4.767 4.470 -0.000 0.000 0.274 548 S C 1.011 175.604 174.600 -0.012 0.000 1.309 548 S CA 0.024 58.226 58.200 0.003 0.000 1.043 548 S CB 0.999 64.188 63.200 -0.019 0.000 0.939 548 S HN 0.817 nan 8.310 nan 0.000 0.504 549 S N 2.579 118.276 115.700 -0.005 0.000 2.470 549 S HA -0.021 4.449 4.470 -0.000 0.000 0.222 549 S C 1.712 176.296 174.600 -0.026 0.000 1.024 549 S CA 0.671 58.863 58.200 -0.013 0.000 0.931 549 S CB -0.295 62.903 63.200 -0.003 0.000 0.791 549 S HN 0.762 nan 8.310 nan 0.000 0.513 550 S N 0.709 116.391 115.700 -0.030 0.000 2.468 550 S HA 0.268 4.738 4.470 -0.000 0.000 0.226 550 S C 0.509 175.057 174.600 -0.086 0.000 1.051 550 S CA -0.182 57.991 58.200 -0.045 0.000 0.943 550 S CB -0.538 62.647 63.200 -0.026 0.000 0.810 550 S HN 0.238 nan 8.310 nan 0.000 0.509 551 V N 3.388 123.228 119.914 -0.123 0.000 2.432 551 V HA 0.277 4.397 4.120 -0.000 0.000 0.271 551 V C 0.758 176.739 176.094 -0.189 0.000 1.046 551 V CA -0.251 61.907 62.300 -0.237 0.000 0.945 551 V CB 1.205 32.780 31.823 -0.413 0.000 0.992 551 V HN 0.423 nan 8.190 nan 0.000 0.471 552 K N 3.481 123.775 120.400 -0.178 0.000 2.426 552 K HA 0.212 4.532 4.320 -0.000 0.000 0.193 552 K C 1.075 177.608 176.600 -0.113 0.000 1.028 552 K CA 0.522 56.733 56.287 -0.127 0.000 1.047 552 K CB 0.311 32.745 32.500 -0.110 0.000 0.821 552 K HN 0.709 nan 8.250 nan 0.000 0.513 553 A N 2.141 124.866 122.820 -0.157 0.000 3.026 553 A HA 0.045 4.365 4.320 -0.000 0.000 0.272 553 A C 1.404 178.977 177.584 -0.019 0.000 1.782 553 A CA -0.140 51.857 52.037 -0.065 0.000 1.451 553 A CB -0.571 18.390 19.000 -0.065 0.000 1.081 553 A HN 0.290 nan 8.150 nan 0.000 0.611 554 S N 0.319 116.016 115.700 -0.005 0.000 2.423 554 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 554 S C 1.763 176.377 174.600 0.023 0.000 1.014 554 S CA 1.520 59.720 58.200 -0.000 0.000 0.965 554 S CB -0.308 62.890 63.200 -0.004 0.000 0.785 554 S HN 0.558 nan 8.310 nan 0.000 0.495 555 S N 2.103 117.840 115.700 0.062 0.000 2.387 555 S HA 0.161 4.631 4.470 -0.000 0.000 0.226 555 S C 1.765 176.265 174.600 -0.166 0.000 1.026 555 S CA 1.157 59.373 58.200 0.028 0.000 0.972 555 S CB -0.483 62.842 63.200 0.209 0.000 0.814 555 S HN 0.522 nan 8.310 nan 0.000 0.477 556 I N 1.225 121.807 120.570 0.020 0.000 2.252 556 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 556 I C 2.172 178.342 176.117 0.089 0.000 1.102 556 I CA 0.800 62.147 61.300 0.078 0.000 1.385 556 I CB -0.490 37.714 38.000 0.339 0.000 1.064 556 I HN 0.143 nan 8.210 nan 0.000 0.414 557 V N 1.246 121.219 119.914 0.099 0.000 2.261 557 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 557 V C 2.815 178.969 176.094 0.100 0.000 1.047 557 V CA 2.020 64.386 62.300 0.111 0.000 1.015 557 V CB -1.147 30.707 31.823 0.051 0.000 0.642 557 V HN 0.493 nan 8.190 nan 0.000 0.446 558 A N 0.011 122.850 122.820 0.032 0.000 1.903 558 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 558 A C 2.474 180.097 177.584 0.065 0.000 1.191 558 A CA 2.689 54.743 52.037 0.028 0.000 0.638 558 A CB -0.906 18.080 19.000 -0.022 0.000 0.823 558 A HN 0.541 nan 8.150 nan 0.000 0.451 559 S N -0.275 115.407 115.700 -0.030 0.000 2.368 559 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 559 S C 1.815 176.567 174.600 0.254 0.000 1.030 559 S CA 1.451 59.700 58.200 0.082 0.000 0.999 559 S CB -0.483 62.651 63.200 -0.111 0.000 0.844 559 S HN 0.495 nan 8.310 nan 0.000 0.459 560 L N 0.021 121.364 121.223 0.199 0.000 2.042 560 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 560 L C 2.226 179.198 176.870 0.170 0.000 1.076 560 L CA 1.495 56.450 54.840 0.191 0.000 0.749 560 L CB -0.494 41.676 42.059 0.187 0.000 0.893 560 L HN 0.271 nan 8.230 nan 0.000 0.432 561 F N 0.422 120.421 119.950 0.082 0.000 2.075 561 F HA -0.250 4.277 4.527 0.000 0.000 0.297 561 F C 2.231 178.129 175.800 0.164 0.000 1.113 561 F CA 1.609 59.680 58.000 0.118 0.000 1.218 561 F CB -0.146 38.913 39.000 0.099 0.000 0.984 561 F HN -0.132 nan 8.300 nan 0.000 0.472 562 L N 0.277 121.637 121.223 0.228 0.000 2.083 562 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 562 L C 2.479 179.142 176.870 -0.345 0.000 1.083 562 L CA 1.741 56.599 54.840 0.030 0.000 0.752 562 L CB -0.773 41.340 42.059 0.089 0.000 0.899 562 L HN 0.145 nan 8.230 nan 0.000 0.433 563 K N 0.153 120.340 120.400 -0.355 0.000 2.152 563 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 563 K C 1.883 178.246 176.600 -0.396 0.000 1.048 563 K CA 1.160 57.146 56.287 -0.502 0.000 0.933 563 K CB 0.113 32.584 32.500 -0.048 0.000 0.721 563 K HN 0.210 nan 8.250 nan 0.000 0.447 564 E N -0.396 119.582 120.200 -0.370 0.000 2.409 564 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 564 E C 0.707 176.802 176.600 -0.842 0.000 1.024 564 E CA 0.836 56.889 56.400 -0.578 0.000 0.861 564 E CB 0.056 29.314 29.700 -0.737 0.000 0.788 564 E HN 0.385 nan 8.360 nan 0.000 0.521 565 F N -0.225 119.481 119.950 -0.406 0.000 2.639 565 F HA 0.133 4.660 4.527 0.000 0.000 0.302 565 F C 0.322 175.934 175.800 -0.313 0.000 1.097 565 F CA -0.124 57.682 58.000 -0.324 0.000 1.294 565 F CB 0.878 39.699 39.000 -0.298 0.000 1.027 565 F HN -0.323 nan 8.300 nan 0.000 0.550 566 V N 1.143 120.883 119.914 -0.289 0.000 2.419 566 V HA 0.216 4.336 4.120 -0.000 0.000 0.287 566 V C 0.259 176.255 176.094 -0.165 0.000 1.017 566 V CA -0.602 61.555 62.300 -0.238 0.000 0.844 566 V CB 1.584 33.180 31.823 -0.379 0.000 1.011 566 V HN 0.034 nan 8.190 nan 0.000 0.429 567 Q N 2.477 122.212 119.800 -0.108 0.000 2.165 567 Q HA 0.107 4.447 4.340 -0.000 0.000 0.197 567 Q C 0.990 176.965 176.000 -0.042 0.000 0.952 567 Q CA 1.086 56.837 55.803 -0.087 0.000 0.848 567 Q CB 0.157 28.846 28.738 -0.081 0.000 0.931 567 Q HN 0.730 nan 8.270 nan 0.000 0.470 568 N N -0.417 118.272 118.700 -0.019 0.000 2.471 568 N HA 0.109 4.849 4.740 -0.000 0.000 0.270 568 N C -1.573 173.955 175.510 0.029 0.000 1.490 568 N CA 0.077 53.129 53.050 0.004 0.000 0.850 568 N CB 0.985 39.467 38.487 -0.009 0.000 1.411 568 N HN -0.116 nan 8.380 nan 0.000 0.488 569 T N -0.326 114.264 114.554 0.059 0.000 2.912 569 T HA 0.620 4.970 4.350 -0.000 0.000 0.299 569 T C -0.418 174.395 174.700 0.187 0.000 1.052 569 T CA -0.641 61.519 62.100 0.099 0.000 0.996 569 T CB 1.828 70.750 68.868 0.090 0.000 1.070 569 T HN 0.183 nan 8.240 nan 0.000 0.465 570 A N 2.434 125.383 122.820 0.215 0.000 2.545 570 A HA 0.420 4.740 4.320 -0.000 0.000 0.253 570 A C -0.658 177.154 177.584 0.381 0.000 1.074 570 A CA 0.003 52.216 52.037 0.294 0.000 0.760 570 A CB -0.447 18.779 19.000 0.376 0.000 1.005 570 A HN 0.856 nan 8.150 nan 0.000 0.506 571 W N 2.568 123.943 121.300 0.125 0.000 3.022 571 W HA 0.625 5.285 4.660 -0.000 0.000 0.335 571 W C -0.634 175.939 176.519 0.089 0.000 1.133 571 W CA -0.005 57.407 57.345 0.113 0.000 1.219 571 W CB 1.377 30.904 29.460 0.111 0.000 1.409 571 W HN 0.936 nan 8.180 nan 0.000 0.507 572 A N 3.566 125.991 122.820 -0.659 0.000 2.498 572 A HA 0.672 4.992 4.320 -0.000 0.000 0.298 572 A C -2.214 174.877 177.584 -0.822 0.000 1.075 572 A CA -0.663 50.871 52.037 -0.839 0.000 0.714 572 A CB 1.619 20.332 19.000 -0.480 0.000 1.299 572 A HN 0.954 nan 8.150 nan 0.000 0.407 573 H N 0.560 119.219 119.070 -0.684 0.000 2.689 573 H HA 0.692 5.248 4.556 -0.000 0.000 0.346 573 H C -1.732 173.591 175.328 -0.008 0.000 1.037 573 H CA -0.774 55.114 56.048 -0.268 0.000 1.234 573 H CB 0.802 30.459 29.762 -0.175 0.000 1.572 573 H HN 0.476 nan 8.280 nan 0.000 0.524 574 I N 4.512 124.887 120.570 -0.326 0.000 2.354 574 I HA 0.176 4.346 4.170 -0.000 0.000 0.286 574 I C -0.432 175.524 176.117 -0.267 0.000 1.007 574 I CA -0.705 60.446 61.300 -0.248 0.000 1.167 574 I CB 1.314 39.265 38.000 -0.081 0.000 1.320 574 I HN 0.569 nan 8.210 nan 0.000 0.458 575 D N 7.517 127.786 120.400 -0.219 0.000 2.313 575 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 575 D C 0.510 176.802 176.300 -0.013 0.000 1.142 575 D CA -0.264 53.703 54.000 -0.055 0.000 0.847 575 D CB 1.238 42.114 40.800 0.127 0.000 1.082 575 D HN 0.578 nan 8.370 nan 0.000 0.480 576 I N 0.840 121.393 120.570 -0.028 0.000 3.927 576 I HA 0.363 4.533 4.170 -0.000 0.000 0.332 576 I C 1.531 177.632 176.117 -0.026 0.000 1.485 576 I CA -0.565 60.673 61.300 -0.103 0.000 1.131 576 I CB 0.661 38.598 38.000 -0.105 0.000 1.092 576 I HN 0.201 nan 8.210 nan 0.000 0.410 577 A N 1.861 124.711 122.820 0.050 0.000 1.978 577 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 577 A C 2.249 179.990 177.584 0.262 0.000 1.170 577 A CA 2.027 54.160 52.037 0.160 0.000 0.636 577 A CB -1.090 18.009 19.000 0.165 0.000 0.810 577 A HN 0.583 nan 8.150 nan 0.000 0.448 578 G N -2.061 106.833 108.800 0.158 0.000 2.603 578 G HA2 0.165 4.125 3.960 -0.000 0.000 0.214 578 G HA3 0.165 4.125 3.960 -0.000 0.000 0.214 578 G C 1.248 176.252 174.900 0.173 0.000 1.140 578 G CA 0.989 46.198 45.100 0.180 0.000 0.800 578 G HN 0.407 nan 8.290 nan 0.000 0.533 579 V N -0.087 119.837 119.914 0.016 0.000 3.621 579 V HA 0.119 4.239 4.120 -0.000 0.000 0.263 579 V C 2.644 178.707 176.094 -0.053 0.000 1.272 579 V CA 1.500 63.724 62.300 -0.127 0.000 1.080 579 V CB 0.664 32.147 31.823 -0.567 0.000 0.816 579 V HN 0.376 nan 8.190 nan 0.000 0.451 580 S N -0.273 115.476 115.700 0.082 0.000 2.368 580 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 580 S C 0.647 175.399 174.600 0.254 0.000 1.029 580 S CA 0.654 58.974 58.200 0.200 0.000 0.988 580 S CB -0.172 63.178 63.200 0.250 0.000 0.838 580 S HN 0.687 nan 8.310 nan 0.000 0.462 581 W N 2.955 124.233 121.300 -0.038 0.000 2.391 581 W HA 0.424 5.084 4.660 -0.000 0.000 0.311 581 W C -0.619 175.566 176.519 -0.557 0.000 1.087 581 W CA -0.949 56.178 57.345 -0.362 0.000 1.209 581 W CB 0.719 29.722 29.460 -0.763 0.000 1.273 581 W HN 0.139 nan 8.180 nan 0.000 0.482 582 N N 5.696 123.953 118.700 -0.737 0.000 2.508 582 N HA 0.009 4.749 4.740 -0.000 0.000 0.253 582 N C 0.697 175.943 175.510 -0.440 0.000 1.145 582 N CA 0.095 52.877 53.050 -0.448 0.000 0.973 582 N CB -0.316 37.989 38.487 -0.304 0.000 1.305 582 N HN 0.322 nan 8.380 nan 0.000 0.506 583 F N 2.053 122.038 119.950 0.058 0.000 2.134 583 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 583 F C 2.329 178.183 175.800 0.090 0.000 1.097 583 F CA 1.099 59.216 58.000 0.195 0.000 1.264 583 F CB 0.051 39.148 39.000 0.162 0.000 1.001 583 F HN 0.435 nan 8.300 nan 0.000 0.479 584 K N 0.698 121.222 120.400 0.206 0.000 2.025 584 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 584 K C 2.068 178.704 176.600 0.059 0.000 1.049 584 K CA 1.302 57.661 56.287 0.120 0.000 0.933 584 K CB -0.299 32.255 32.500 0.091 0.000 0.714 584 K HN 0.185 nan 8.250 nan 0.000 0.438 585 A N 0.843 123.660 122.820 -0.005 0.000 2.208 585 A HA 0.060 4.380 4.320 -0.000 0.000 0.209 585 A C 0.220 177.754 177.584 -0.084 0.000 1.161 585 A CA 0.558 52.571 52.037 -0.042 0.000 0.782 585 A CB -0.267 18.698 19.000 -0.058 0.000 0.816 585 A HN 0.514 nan 8.150 nan 0.000 0.477 586 R N -1.324 119.120 120.500 -0.094 0.000 3.532 586 R HA -0.175 4.165 4.340 -0.000 0.000 0.284 586 R C -0.372 175.761 176.300 -0.278 0.000 1.140 586 R CA 1.398 57.504 56.100 0.009 0.000 0.768 586 R CB -2.296 28.075 30.300 0.119 0.000 1.252 586 R HN 0.857 nan 8.270 nan 0.000 0.454 587 K N -1.775 118.072 120.400 -0.922 0.000 2.548 587 K HA 0.619 4.939 4.320 -0.000 0.000 0.282 587 K C -3.259 172.476 176.600 -1.441 0.000 1.006 587 K CA -2.160 53.485 56.287 -1.070 0.000 0.892 587 K CB 2.715 34.979 32.500 -0.393 0.000 1.499 587 K HN -0.302 nan 8.250 nan 0.000 0.433 588 P HA 0.211 nan 4.420 nan 0.000 0.276 588 P C -0.531 176.705 177.300 -0.106 0.000 1.252 588 P CA -0.556 62.335 63.100 -0.348 0.000 0.802 588 P CB 0.650 32.352 31.700 0.004 0.000 1.035 589 K N 0.024 120.414 120.400 -0.018 0.000 2.361 589 K HA 0.182 4.502 4.320 -0.000 0.000 0.194 589 K C 0.978 177.506 176.600 -0.121 0.000 1.032 589 K CA 0.531 56.805 56.287 -0.021 0.000 1.048 589 K CB -0.248 32.289 32.500 0.061 0.000 0.842 589 K HN 0.803 nan 8.250 nan 0.000 0.526 590 G N 2.642 111.439 108.800 -0.005 0.000 2.273 590 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.280 590 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.280 590 G C -0.151 174.732 174.900 -0.029 0.000 1.047 590 G CA -0.096 44.979 45.100 -0.041 0.000 0.869 590 G HN 0.367 nan 8.290 nan 0.000 0.502 591 F N 0.458 120.367 119.950 -0.067 0.000 2.538 591 F HA 0.419 4.946 4.527 -0.000 0.000 0.371 591 F C 1.541 177.319 175.800 -0.037 0.000 1.087 591 F CA 1.702 59.675 58.000 -0.045 0.000 1.250 591 F CB 0.741 39.738 39.000 -0.004 0.000 1.110 591 F HN 0.856 nan 8.300 nan 0.000 0.570 592 G N 3.216 111.787 108.800 -0.382 0.000 2.339 592 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.209 592 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.209 592 G C 0.795 175.603 174.900 -0.153 0.000 1.015 592 G CA -0.004 45.009 45.100 -0.145 0.000 0.635 592 G HN 0.649 nan 8.290 nan 0.000 0.499 593 V N 1.450 121.274 119.914 -0.151 0.000 2.255 593 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 593 V C 2.860 178.805 176.094 -0.247 0.000 1.051 593 V CA 2.957 65.174 62.300 -0.139 0.000 1.018 593 V CB -0.580 31.169 31.823 -0.123 0.000 0.641 593 V HN 0.498 nan 8.190 nan 0.000 0.445 594 R N -0.763 119.538 120.500 -0.332 0.000 2.090 594 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 594 R C 2.197 178.330 176.300 -0.279 0.000 1.110 594 R CA 1.168 56.990 56.100 -0.463 0.000 0.973 594 R CB -0.484 29.645 30.300 -0.287 0.000 0.869 594 R HN 0.405 nan 8.270 nan 0.000 0.440 595 L N 1.214 122.299 121.223 -0.229 0.000 1.989 595 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 595 L C 1.905 178.749 176.870 -0.042 0.000 1.071 595 L CA 1.765 56.517 54.840 -0.146 0.000 0.749 595 L CB -0.500 41.438 42.059 -0.202 0.000 0.890 595 L HN 0.121 nan 8.230 nan 0.000 0.431 596 L N -1.082 120.122 121.223 -0.031 0.000 2.012 596 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 596 L C 2.374 179.319 176.870 0.126 0.000 1.073 596 L CA 1.866 56.761 54.840 0.091 0.000 0.748 596 L CB -1.178 40.937 42.059 0.093 0.000 0.891 596 L HN 0.330 nan 8.230 nan 0.000 0.431 597 T N -1.084 113.466 114.554 -0.006 0.000 2.746 597 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 597 T C 1.793 176.528 174.700 0.059 0.000 1.039 597 T CA 1.097 63.188 62.100 -0.014 0.000 1.142 597 T CB -0.153 68.599 68.868 -0.194 0.000 0.866 597 T HN 0.282 nan 8.240 nan 0.000 0.444 598 E N 0.580 120.817 120.200 0.062 0.000 2.110 598 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 598 E C 1.876 178.546 176.600 0.118 0.000 0.988 598 E CA 0.736 57.213 56.400 0.128 0.000 0.804 598 E CB -0.409 29.364 29.700 0.122 0.000 0.745 598 E HN 0.524 nan 8.360 nan 0.000 0.458 599 F N 1.582 121.517 119.950 -0.025 0.000 2.069 599 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 599 F C 2.222 178.016 175.800 -0.010 0.000 1.113 599 F CA 1.141 59.117 58.000 -0.041 0.000 1.214 599 F CB -0.525 38.435 39.000 -0.067 0.000 0.978 599 F HN -0.214 nan 8.300 nan 0.000 0.474 600 V N 0.293 120.092 119.914 -0.192 0.000 2.261 600 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 600 V C 2.463 178.466 176.094 -0.152 0.000 1.047 600 V CA 1.795 63.951 62.300 -0.239 0.000 1.015 600 V CB -0.866 30.927 31.823 -0.051 0.000 0.642 600 V HN 0.302 nan 8.190 nan 0.000 0.446 601 L N 0.487 121.682 121.223 -0.048 0.000 2.083 601 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 601 L C 1.987 178.839 176.870 -0.030 0.000 1.083 601 L CA 1.802 56.635 54.840 -0.011 0.000 0.752 601 L CB -1.212 40.880 42.059 0.055 0.000 0.899 601 L HN 0.379 nan 8.230 nan 0.000 0.433 602 N N -1.062 117.613 118.700 -0.042 0.000 2.467 602 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 602 N C 0.362 175.828 175.510 -0.073 0.000 1.106 602 N CA 0.225 53.253 53.050 -0.036 0.000 0.892 602 N CB -0.064 38.420 38.487 -0.005 0.000 0.969 602 N HN 0.371 nan 8.380 nan 0.000 0.454 603 D N 0.000 120.311 120.400 -0.148 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.916 54.000 -0.141 0.000 0.868 603 D CB 0.000 40.627 40.800 -0.289 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683