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 1n0h_1_B DATA FIRST_RESID 83 DATA SEQUENCE PDMDTSFVGL TGGQIFNEMM SRQNVDTVFG YPGGAILPVY DAIHNSDKFN DATA SEQUENCE FVLPKHEQGA GHMAEGYARA SGKPGVVLVT SGPGATNVVT PMADAFADGI DATA SEQUENCE PMVVFTGQVP TSAIGTDAFQ EADVVGISRS CTKWNVMVKS VEELPLRINE DATA SEQUENCE AFEIATSGRP GPVLVDLPKD VTAAILRNPI PTKTTLPSXX XXXXXSRAQD DATA SEQUENCE EFVMQSINKA ADLINLAKKP VLYVGAGILN HADGPRLLKE LSDRAQIPVT DATA SEQUENCE TTLQGLGSFD QEDPKSLDML GMHGCATANL AVQNADLIIA VGARFDDRVT DATA SEQUENCE GNISKFAPEA RRAAAEGRGG IIHFEVSPKN INKVVQTQIA VEGDATTNLG DATA SEQUENCE KMMSKIFPVK ERSEWFAQIN KWKKEYPYAY MEETPGSKIK PQTVIKKLSK DATA SEQUENCE VANDTGRHVI VTTGVGQHQM WAAQHWTWRN PHTFITSGGL GTMGYGLPAA DATA SEQUENCE IGAQVAKPES LVIDIDGDAS FNMTLTELSS AVQAGTPVKI LILNNEEQGM DATA SEQUENCE VTQWQSLFYE HRYSHTHQLN PDFIKLAEAM GLKGLRVKKQ EELDAKLKEF DATA SEQUENCE VSTKGPVLLE VEVDKKVPVL PMVAGGSGLD EFINFDPEVE RQQTELRHKR DATA SEQUENCE TGGKH 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 83 P HA 0.000 nan 4.420 nan 0.000 0.216 83 P C 0.000 177.284 177.300 -0.026 0.000 1.155 83 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 83 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 84 D N -0.741 119.648 120.400 -0.019 0.000 2.117 84 D HA -0.001 4.639 4.640 0.000 0.000 0.198 84 D C 0.661 176.949 176.300 -0.019 0.000 0.982 84 D CA 1.323 55.313 54.000 -0.016 0.000 0.828 84 D CB 0.128 40.923 40.800 -0.009 0.000 0.967 84 D HN 0.185 nan 8.370 nan 0.000 0.464 85 M N 0.865 120.453 119.600 -0.019 0.000 2.277 85 M HA 0.255 4.735 4.480 0.000 0.000 0.350 85 M C -0.384 175.893 176.300 -0.039 0.000 1.180 85 M CA -0.516 54.771 55.300 -0.021 0.000 1.103 85 M CB 1.406 33.999 32.600 -0.011 0.000 1.577 85 M HN -0.223 nan 8.290 nan 0.000 0.459 86 D N 0.680 121.047 120.400 -0.055 0.000 2.498 86 D HA 0.483 5.123 4.640 0.000 0.000 0.247 86 D C 0.073 176.318 176.300 -0.091 0.000 1.070 86 D CA -0.259 53.681 54.000 -0.099 0.000 0.842 86 D CB 1.448 42.150 40.800 -0.163 0.000 1.361 86 D HN 0.690 nan 8.370 nan 0.000 0.484 87 T N -0.963 113.538 114.554 -0.089 0.000 3.145 87 T HA 0.093 4.443 4.350 0.000 0.000 0.281 87 T C 1.256 175.929 174.700 -0.046 0.000 1.003 87 T CA 0.168 62.243 62.100 -0.042 0.000 0.901 87 T CB -0.342 68.518 68.868 -0.013 0.000 1.112 87 T HN 0.236 nan 8.240 nan 0.000 0.535 88 S N 0.253 115.857 115.700 -0.160 0.000 2.595 88 S HA 0.154 4.624 4.470 0.000 0.000 0.235 88 S C 1.097 175.749 174.600 0.088 0.000 0.974 88 S CA 0.067 58.186 58.200 -0.135 0.000 0.942 88 S CB -1.016 62.007 63.200 -0.295 0.000 0.766 88 S HN 0.673 nan 8.310 nan 0.000 0.536 89 F N 0.254 120.208 119.950 0.006 0.000 2.711 89 F HA 0.297 4.824 4.527 0.000 0.000 0.296 89 F C 0.474 176.282 175.800 0.013 0.000 1.096 89 F CA -0.749 57.258 58.000 0.011 0.000 1.280 89 F CB 0.513 39.523 39.000 0.015 0.000 1.060 89 F HN -0.042 nan 8.300 nan 0.000 0.608 90 V N 1.780 121.809 119.914 0.192 0.000 2.625 90 V HA 0.066 4.187 4.120 0.000 0.000 0.305 90 V C 1.131 177.280 176.094 0.091 0.000 1.055 90 V CA 1.834 64.202 62.300 0.114 0.000 1.209 90 V CB -0.223 31.642 31.823 0.070 0.000 0.877 90 V HN 0.708 nan 8.190 nan 0.000 0.489 91 G N 3.563 112.405 108.800 0.069 0.000 2.259 91 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 91 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 91 G C 0.062 174.987 174.900 0.041 0.000 1.001 91 G CA -0.015 45.114 45.100 0.049 0.000 0.627 91 G HN 0.552 nan 8.290 nan 0.000 0.501 92 L N 1.928 123.180 121.223 0.049 0.000 2.456 92 L HA 0.595 4.935 4.340 0.000 0.000 0.257 92 L C 1.492 178.357 176.870 -0.008 0.000 1.162 92 L CA -0.031 54.815 54.840 0.011 0.000 0.808 92 L CB 1.054 43.100 42.059 -0.021 0.000 1.136 92 L HN 0.421 nan 8.230 nan 0.000 0.466 93 T N -2.264 112.276 114.554 -0.024 0.000 2.902 93 T HA 0.274 4.624 4.350 0.000 0.000 0.280 93 T C 1.202 175.878 174.700 -0.040 0.000 0.992 93 T CA -0.217 61.871 62.100 -0.020 0.000 1.015 93 T CB 1.562 70.422 68.868 -0.013 0.000 1.044 93 T HN 0.692 nan 8.240 nan 0.000 0.520 94 G N 0.512 109.298 108.800 -0.023 0.000 2.469 94 G HA2 -0.067 3.893 3.960 0.000 0.000 0.219 94 G HA3 -0.067 3.893 3.960 0.000 0.000 0.219 94 G C 1.549 176.441 174.900 -0.014 0.000 1.150 94 G CA 0.707 45.795 45.100 -0.019 0.000 0.763 94 G HN 1.048 nan 8.290 nan 0.000 0.561 95 G N 0.160 108.949 108.800 -0.019 0.000 2.418 95 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 95 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 95 G C 1.822 176.739 174.900 0.029 0.000 1.158 95 G CA 1.117 46.211 45.100 -0.010 0.000 0.771 95 G HN 0.533 nan 8.290 nan 0.000 0.545 96 Q N -0.275 119.512 119.800 -0.022 0.000 2.119 96 Q HA 0.069 4.409 4.340 0.000 0.000 0.201 96 Q C 2.598 178.515 176.000 -0.138 0.000 0.972 96 Q CA 0.771 56.546 55.803 -0.047 0.000 0.847 96 Q CB -0.156 28.550 28.738 -0.053 0.000 0.903 96 Q HN 0.509 nan 8.270 nan 0.000 0.433 97 I N 0.203 120.628 120.570 -0.242 0.000 2.286 97 I HA -0.268 3.902 4.170 0.000 0.000 0.248 97 I C 2.160 178.090 176.117 -0.312 0.000 1.115 97 I CA 1.049 62.025 61.300 -0.539 0.000 1.392 97 I CB -0.238 37.438 38.000 -0.540 0.000 1.065 97 I HN 0.171 nan 8.210 nan 0.000 0.418 98 F N 1.793 121.596 119.950 -0.246 0.000 2.095 98 F HA -0.293 4.234 4.527 0.000 0.000 0.298 98 F C 2.296 178.002 175.800 -0.157 0.000 1.104 98 F CA 2.063 59.937 58.000 -0.210 0.000 1.232 98 F CB -0.547 38.319 39.000 -0.224 0.000 0.987 98 F HN 0.082 nan 8.300 nan 0.000 0.475 99 N N -0.124 118.608 118.700 0.054 0.000 2.069 99 N HA -0.215 4.525 4.740 0.000 0.000 0.191 99 N C 1.730 177.214 175.510 -0.044 0.000 1.031 99 N CA 1.469 54.563 53.050 0.074 0.000 0.852 99 N CB -0.079 38.469 38.487 0.102 0.000 1.018 99 N HN 0.314 nan 8.380 nan 0.000 0.423 100 E N 0.536 120.677 120.200 -0.099 0.000 2.077 100 E HA -0.151 4.199 4.350 0.000 0.000 0.193 100 E C 2.013 178.575 176.600 -0.064 0.000 0.989 100 E CA 0.818 57.190 56.400 -0.047 0.000 0.800 100 E CB -0.237 29.454 29.700 -0.015 0.000 0.746 100 E HN 0.480 nan 8.360 nan 0.000 0.452 101 M N -0.128 119.366 119.600 -0.176 0.000 2.213 101 M HA -0.054 4.426 4.480 0.000 0.000 0.263 101 M C 2.019 178.124 176.300 -0.325 0.000 1.062 101 M CA 0.984 56.164 55.300 -0.200 0.000 1.105 101 M CB -0.705 31.759 32.600 -0.227 0.000 1.385 101 M HN 0.090 nan 8.290 nan 0.000 0.417 102 M N -0.899 118.455 119.600 -0.409 0.000 2.159 102 M HA -0.094 4.386 4.480 0.000 0.000 0.263 102 M C 2.415 178.602 176.300 -0.188 0.000 1.063 102 M CA 1.297 56.362 55.300 -0.392 0.000 1.110 102 M CB -1.749 30.584 32.600 -0.445 0.000 1.374 102 M HN 0.296 nan 8.290 nan 0.000 0.411 103 S N 0.328 115.982 115.700 -0.076 0.000 2.355 103 S HA -0.082 4.388 4.470 0.000 0.000 0.222 103 S C 2.053 176.616 174.600 -0.061 0.000 1.031 103 S CA 1.018 59.208 58.200 -0.016 0.000 0.993 103 S CB -0.005 63.204 63.200 0.015 0.000 0.859 103 S HN 0.454 nan 8.310 nan 0.000 0.453 104 R N 0.209 120.660 120.500 -0.081 0.000 2.193 104 R HA 0.070 4.410 4.340 0.000 0.000 0.229 104 R C 1.723 177.930 176.300 -0.154 0.000 1.110 104 R CA 0.891 56.940 56.100 -0.084 0.000 0.988 104 R CB -0.128 30.144 30.300 -0.047 0.000 0.871 104 R HN 0.426 nan 8.270 nan 0.000 0.458 105 Q N 0.223 119.859 119.800 -0.273 0.000 2.320 105 Q HA 0.015 4.355 4.340 0.000 0.000 0.201 105 Q C -0.166 175.687 176.000 -0.245 0.000 0.910 105 Q CA -0.022 55.531 55.803 -0.417 0.000 0.946 105 Q CB -0.050 28.075 28.738 -1.022 0.000 1.062 105 Q HN 0.407 nan 8.270 nan 0.000 0.503 106 N N -0.243 118.379 118.700 -0.129 0.000 2.735 106 N HA -0.166 4.574 4.740 0.000 0.000 0.248 106 N C -1.042 174.469 175.510 0.001 0.000 1.083 106 N CA -0.173 52.853 53.050 -0.040 0.000 0.703 106 N CB -0.546 37.931 38.487 -0.017 0.000 1.005 106 N HN -0.065 nan 8.380 nan 0.000 0.550 107 V N 1.896 121.790 119.914 -0.032 0.000 2.432 107 V HA 0.113 4.233 4.120 0.000 0.000 0.271 107 V C 0.945 177.075 176.094 0.060 0.000 1.046 107 V CA 0.613 62.918 62.300 0.009 0.000 0.945 107 V CB 1.444 33.212 31.823 -0.091 0.000 0.992 107 V HN 0.428 nan 8.190 nan 0.000 0.471 108 D N 1.745 122.205 120.400 0.100 0.000 2.441 108 D HA 0.119 4.759 4.640 0.000 0.000 0.210 108 D C 0.298 176.659 176.300 0.103 0.000 1.102 108 D CA 0.038 54.125 54.000 0.144 0.000 0.840 108 D CB 0.574 41.459 40.800 0.142 0.000 0.990 108 D HN 0.494 nan 8.370 nan 0.000 0.505 109 T N -0.270 114.238 114.554 -0.077 0.000 2.993 109 T HA 0.558 4.908 4.350 0.000 0.000 0.312 109 T C -1.254 173.156 174.700 -0.483 0.000 1.115 109 T CA -0.686 61.224 62.100 -0.316 0.000 1.027 109 T CB 2.473 70.996 68.868 -0.574 0.000 1.116 109 T HN -0.141 nan 8.240 nan 0.000 0.464 110 V N 3.151 122.724 119.914 -0.568 0.000 2.638 110 V HA 0.593 4.713 4.120 0.000 0.000 0.306 110 V C -1.357 174.217 176.094 -0.867 0.000 1.052 110 V CA -0.919 61.063 62.300 -0.530 0.000 0.885 110 V CB 1.508 33.079 31.823 -0.419 0.000 0.999 110 V HN 0.832 nan 8.190 nan 0.000 0.424 111 F N 2.760 122.442 119.950 -0.447 0.000 2.427 111 F HA 0.888 5.415 4.527 0.000 0.000 0.346 111 F C 0.822 176.421 175.800 -0.334 0.000 1.120 111 F CA -0.244 57.486 58.000 -0.449 0.000 1.033 111 F CB 2.006 40.872 39.000 -0.223 0.000 1.126 111 F HN 0.672 nan 8.300 nan 0.000 0.462 112 G N 1.577 110.250 108.800 -0.212 0.000 2.606 112 G HA2 0.504 4.464 3.960 0.000 0.000 0.300 112 G HA3 0.504 4.464 3.960 0.000 0.000 0.300 112 G C -2.658 172.590 174.900 0.580 0.000 1.360 112 G CA -0.706 44.572 45.100 0.298 0.000 0.783 112 G HN 0.409 nan 8.290 nan 0.000 0.484 113 Y N 1.358 121.911 120.300 0.421 0.000 2.362 113 Y HA 0.554 5.104 4.550 0.000 0.000 0.326 113 Y C -2.316 173.567 175.900 -0.028 0.000 1.083 113 Y CA -1.575 56.653 58.100 0.213 0.000 1.073 113 Y CB 3.040 41.552 38.460 0.087 0.000 1.211 113 Y HN 0.494 nan 8.280 nan 0.000 0.433 114 P HA 0.454 nan 4.420 nan 0.000 0.272 114 P C -0.546 176.540 177.300 -0.356 0.000 1.230 114 P CA 0.126 62.662 63.100 -0.941 0.000 0.788 114 P CB 1.698 32.713 31.700 -1.142 0.000 0.949 115 G N -0.677 107.929 108.800 -0.323 0.000 2.673 115 G HA2 0.439 4.399 3.960 0.000 0.000 0.292 115 G HA3 0.439 4.399 3.960 0.000 0.000 0.292 115 G C 0.725 175.550 174.900 -0.125 0.000 1.450 115 G CA -0.121 44.896 45.100 -0.139 0.000 0.837 115 G HN 0.474 nan 8.290 nan 0.000 0.505 116 G N 0.497 109.257 108.800 -0.067 0.000 2.529 116 G HA2 0.024 3.984 3.960 0.000 0.000 0.219 116 G HA3 0.024 3.984 3.960 0.000 0.000 0.219 116 G C 2.081 176.962 174.900 -0.032 0.000 1.177 116 G CA 2.217 47.299 45.100 -0.030 0.000 0.773 116 G HN 1.557 nan 8.290 nan 0.000 0.573 117 A N 0.003 122.799 122.820 -0.041 0.000 1.978 117 A HA 0.034 4.354 4.320 0.000 0.000 0.220 117 A C 2.217 179.788 177.584 -0.022 0.000 1.170 117 A CA 1.624 53.642 52.037 -0.032 0.000 0.636 117 A CB -0.235 18.735 19.000 -0.051 0.000 0.810 117 A HN 0.481 nan 8.150 nan 0.000 0.448 118 I N -0.611 119.946 120.570 -0.022 0.000 3.883 118 I HA 0.161 4.331 4.170 0.000 0.000 0.326 118 I C 1.523 177.675 176.117 0.059 0.000 1.283 118 I CA -0.007 61.306 61.300 0.021 0.000 1.161 118 I CB -0.257 37.792 38.000 0.082 0.000 1.012 118 I HN 0.256 nan 8.210 nan 0.000 0.421 119 L N 1.281 122.500 121.223 -0.006 0.000 2.081 119 L HA -0.148 4.192 4.340 0.000 0.000 0.212 119 L C -0.306 176.581 176.870 0.029 0.000 1.080 119 L CA 1.508 56.346 54.840 -0.002 0.000 0.754 119 L CB -1.987 40.045 42.059 -0.046 0.000 0.893 119 L HN 0.247 nan 8.230 nan 0.000 0.433 120 P HA -0.134 nan 4.420 nan 0.000 0.218 120 P C 1.861 179.148 177.300 -0.022 0.000 1.148 120 P CA 1.117 64.211 63.100 -0.010 0.000 0.822 120 P CB 0.116 31.804 31.700 -0.019 0.000 0.784 121 V N -2.327 117.559 119.914 -0.047 0.000 2.591 121 V HA -0.191 3.929 4.120 0.000 0.000 0.249 121 V C 2.012 178.034 176.094 -0.119 0.000 1.053 121 V CA 1.465 63.672 62.300 -0.154 0.000 1.068 121 V CB -1.298 30.279 31.823 -0.410 0.000 0.689 121 V HN 0.040 nan 8.190 nan 0.000 0.462 122 Y N 0.795 121.018 120.300 -0.128 0.000 2.242 122 Y HA -0.193 4.357 4.550 0.000 0.000 0.291 122 Y C 2.378 178.217 175.900 -0.103 0.000 1.137 122 Y CA 1.872 59.896 58.100 -0.126 0.000 1.181 122 Y CB -0.317 38.042 38.460 -0.167 0.000 0.989 122 Y HN 0.372 nan 8.280 nan 0.000 0.527 123 D N -0.557 119.868 120.400 0.041 0.000 2.144 123 D HA -0.145 4.495 4.640 0.000 0.000 0.200 123 D C 2.174 178.495 176.300 0.035 0.000 0.978 123 D CA 1.175 55.176 54.000 0.002 0.000 0.833 123 D CB -0.104 40.688 40.800 -0.013 0.000 0.961 123 D HN 0.236 nan 8.370 nan 0.000 0.470 124 A N 0.544 123.373 122.820 0.014 0.000 1.930 124 A HA -0.028 4.292 4.320 0.000 0.000 0.217 124 A C 2.173 179.774 177.584 0.028 0.000 1.175 124 A CA 1.247 53.296 52.037 0.020 0.000 0.627 124 A CB -0.835 18.175 19.000 0.017 0.000 0.815 124 A HN 0.543 nan 8.150 nan 0.000 0.443 125 I N -3.689 116.892 120.570 0.018 0.000 3.855 125 I HA 0.190 4.360 4.170 0.000 0.000 0.327 125 I C 0.659 176.749 176.117 -0.045 0.000 1.359 125 I CA -0.405 60.899 61.300 0.008 0.000 1.142 125 I CB -0.605 37.480 38.000 0.140 0.000 1.041 125 I HN 0.318 nan 8.210 nan 0.000 0.403 126 H N 3.731 122.730 119.070 -0.118 0.000 3.004 126 H HA 0.011 4.567 4.556 0.000 0.000 0.316 126 H C 0.241 175.492 175.328 -0.128 0.000 1.014 126 H CA 0.256 56.232 56.048 -0.120 0.000 1.454 126 H CB 0.479 30.194 29.762 -0.078 0.000 1.472 126 H HN 0.439 nan 8.280 nan 0.000 0.571 127 N N 2.210 120.744 118.700 -0.277 0.000 2.678 127 N HA -0.250 4.490 4.740 0.000 0.000 0.250 127 N C -0.134 175.218 175.510 -0.262 0.000 1.136 127 N CA 1.188 54.041 53.050 -0.327 0.000 0.757 127 N CB -1.172 37.026 38.487 -0.482 0.000 1.135 127 N HN 0.516 nan 8.380 nan 0.000 0.565 128 S N 1.122 116.656 115.700 -0.277 0.000 2.549 128 S HA 0.042 4.512 4.470 0.000 0.000 0.286 128 S C 0.992 175.359 174.600 -0.389 0.000 1.314 128 S CA 0.092 58.088 58.200 -0.340 0.000 1.062 128 S CB 0.592 63.507 63.200 -0.475 0.000 0.865 128 S HN 0.284 nan 8.310 nan 0.000 0.498 129 D N 3.443 123.669 120.400 -0.291 0.000 2.402 129 D HA 0.109 4.749 4.640 0.000 0.000 0.216 129 D C 0.718 176.887 176.300 -0.219 0.000 1.128 129 D CA -0.176 53.687 54.000 -0.228 0.000 0.833 129 D CB 0.056 40.773 40.800 -0.139 0.000 0.971 129 D HN 0.549 nan 8.370 nan 0.000 0.503 130 K N -0.077 120.126 120.400 -0.328 0.000 2.366 130 K HA 0.125 4.445 4.320 0.000 0.000 0.198 130 K C -0.140 176.454 176.600 -0.010 0.000 1.044 130 K CA 0.566 56.760 56.287 -0.155 0.000 0.973 130 K CB 0.046 32.511 32.500 -0.059 0.000 0.767 130 K HN 0.272 nan 8.250 nan 0.000 0.475 131 F N -2.639 117.300 119.950 -0.019 0.000 2.799 131 F HA 0.280 4.808 4.527 0.000 0.000 0.316 131 F C -1.671 174.121 175.800 -0.014 0.000 1.155 131 F CA -1.611 56.376 58.000 -0.022 0.000 0.916 131 F CB 0.504 39.485 39.000 -0.031 0.000 1.294 131 F HN -0.298 nan 8.300 nan 0.000 0.447 132 N N 0.441 119.277 118.700 0.226 0.000 2.498 132 N HA 0.542 5.282 4.740 0.000 0.000 0.287 132 N C -1.907 173.713 175.510 0.183 0.000 1.097 132 N CA -0.586 52.538 53.050 0.124 0.000 0.973 132 N CB 1.585 40.088 38.487 0.027 0.000 1.153 132 N HN 0.536 nan 8.380 nan 0.000 0.472 133 F N 2.192 122.155 119.950 0.020 0.000 2.458 133 F HA 0.449 4.976 4.527 0.000 0.000 0.336 133 F C -0.740 175.007 175.800 -0.089 0.000 1.114 133 F CA -0.705 57.289 58.000 -0.009 0.000 0.987 133 F CB 0.978 40.019 39.000 0.068 0.000 1.130 133 F HN 0.072 nan 8.300 nan 0.000 0.458 134 V N 7.325 126.894 119.914 -0.575 0.000 2.417 134 V HA 0.365 4.485 4.120 0.000 0.000 0.291 134 V C -0.383 175.647 176.094 -0.107 0.000 1.024 134 V CA -0.829 61.314 62.300 -0.262 0.000 0.861 134 V CB 1.618 33.216 31.823 -0.376 0.000 0.985 134 V HN 0.640 nan 8.190 nan 0.000 0.436 135 L N 8.193 129.524 121.223 0.180 0.000 2.272 135 L HA 0.584 4.924 4.340 0.000 0.000 0.289 135 L C -2.072 174.949 176.870 0.251 0.000 1.032 135 L CA -1.307 53.705 54.840 0.287 0.000 0.810 135 L CB 2.624 44.860 42.059 0.295 0.000 1.205 135 L HN 0.512 nan 8.230 nan 0.000 0.422 136 P HA 0.329 nan 4.420 nan 0.000 0.307 136 P C -0.656 176.833 177.300 0.316 0.000 1.307 136 P CA -0.603 62.652 63.100 0.258 0.000 0.814 136 P CB 1.781 33.616 31.700 0.225 0.000 1.311 137 K N -1.511 119.019 120.400 0.217 0.000 2.352 137 K HA 0.105 4.425 4.320 0.000 0.000 0.194 137 K C 0.540 177.171 176.600 0.052 0.000 1.038 137 K CA 0.773 57.175 56.287 0.193 0.000 1.023 137 K CB -0.083 32.495 32.500 0.131 0.000 0.840 137 K HN 0.571 nan 8.250 nan 0.000 0.519 138 H N -0.008 119.012 119.070 -0.083 0.000 2.894 138 H HA 0.168 4.724 4.556 0.000 0.000 0.367 138 H C -0.048 175.196 175.328 -0.141 0.000 1.144 138 H CA -0.117 55.814 56.048 -0.195 0.000 1.180 138 H CB 1.927 31.619 29.762 -0.115 0.000 1.758 138 H HN -0.221 nan 8.280 nan 0.000 0.541 139 E N 1.983 122.143 120.200 -0.068 0.000 2.160 139 E HA -0.207 4.143 4.350 0.000 0.000 0.195 139 E C 1.894 178.561 176.600 0.112 0.000 0.991 139 E CA 1.465 57.886 56.400 0.034 0.000 0.810 139 E CB 0.149 29.811 29.700 -0.064 0.000 0.742 139 E HN 0.638 nan 8.360 nan 0.000 0.466 140 Q N -0.017 119.959 119.800 0.294 0.000 2.135 140 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 140 Q C 2.110 178.045 176.000 -0.108 0.000 0.981 140 Q CA 1.668 57.445 55.803 -0.043 0.000 0.856 140 Q CB -0.343 28.284 28.738 -0.185 0.000 0.902 140 Q HN 0.360 nan 8.270 nan 0.000 0.425 141 G N 0.331 109.144 108.800 0.021 0.000 2.418 141 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 141 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 141 G C 1.464 176.371 174.900 0.012 0.000 1.158 141 G CA 0.869 45.993 45.100 0.039 0.000 0.771 141 G HN 0.509 nan 8.290 nan 0.000 0.545 142 A N 0.991 123.835 122.820 0.040 0.000 1.883 142 A HA 0.105 4.425 4.320 0.000 0.000 0.217 142 A C 2.735 180.250 177.584 -0.116 0.000 1.186 142 A CA 2.265 54.324 52.037 0.037 0.000 0.624 142 A CB -1.229 17.842 19.000 0.118 0.000 0.822 142 A HN 0.560 nan 8.150 nan 0.000 0.444 143 G N -1.255 107.461 108.800 -0.140 0.000 2.459 143 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 143 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 143 G C 1.483 176.259 174.900 -0.207 0.000 1.183 143 G CA 1.193 46.170 45.100 -0.205 0.000 0.776 143 G HN 0.651 nan 8.290 nan 0.000 0.552 144 H N -0.039 118.973 119.070 -0.096 0.000 2.423 144 H HA 0.106 4.662 4.556 0.000 0.000 0.297 144 H C 2.677 177.835 175.328 -0.282 0.000 1.075 144 H CA 1.033 57.008 56.048 -0.123 0.000 1.342 144 H CB -0.249 29.450 29.762 -0.104 0.000 1.395 144 H HN 0.354 nan 8.280 nan 0.000 0.530 145 M N -0.253 119.198 119.600 -0.248 0.000 2.175 145 M HA -0.063 4.417 4.480 0.000 0.000 0.264 145 M C 2.660 178.428 176.300 -0.888 0.000 1.063 145 M CA 1.239 56.241 55.300 -0.496 0.000 1.119 145 M CB -0.083 32.226 32.600 -0.486 0.000 1.377 145 M HN 0.229 nan 8.290 nan 0.000 0.415 146 A N 0.488 122.767 122.820 -0.901 0.000 1.902 146 A HA -0.175 4.145 4.320 0.000 0.000 0.217 146 A C 1.911 179.379 177.584 -0.194 0.000 1.181 146 A CA 1.678 53.315 52.037 -0.668 0.000 0.623 146 A CB -0.629 18.174 19.000 -0.327 0.000 0.818 146 A HN 0.529 nan 8.150 nan 0.000 0.443 147 E N -0.650 119.484 120.200 -0.110 0.000 2.051 147 E HA -0.118 4.232 4.350 0.000 0.000 0.192 147 E C 2.194 178.803 176.600 0.015 0.000 0.991 147 E CA 0.823 57.243 56.400 0.032 0.000 0.799 147 E CB -0.430 29.385 29.700 0.192 0.000 0.748 147 E HN 0.594 nan 8.360 nan 0.000 0.449 148 G N 0.736 109.484 108.800 -0.088 0.000 2.440 148 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 148 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 148 G C 1.434 176.329 174.900 -0.008 0.000 1.154 148 G CA 1.012 46.053 45.100 -0.098 0.000 0.767 148 G HN 0.300 nan 8.290 nan 0.000 0.552 149 Y N 1.979 122.212 120.300 -0.111 0.000 2.097 149 Y HA -0.045 4.505 4.550 0.000 0.000 0.282 149 Y C 2.936 178.848 175.900 0.021 0.000 1.152 149 Y CA 1.812 59.917 58.100 0.007 0.000 1.136 149 Y CB -0.423 38.092 38.460 0.092 0.000 0.975 149 Y HN 0.252 nan 8.280 nan 0.000 0.498 150 A N 0.975 123.875 122.820 0.133 0.000 1.883 150 A HA -0.198 4.122 4.320 0.000 0.000 0.217 150 A C 2.285 179.839 177.584 -0.050 0.000 1.186 150 A CA 1.752 53.816 52.037 0.045 0.000 0.624 150 A CB -0.620 18.443 19.000 0.104 0.000 0.822 150 A HN 0.428 nan 8.150 nan 0.000 0.444 151 R N -0.465 120.028 120.500 -0.013 0.000 2.083 151 R HA -0.125 4.215 4.340 0.000 0.000 0.237 151 R C 2.363 178.654 176.300 -0.014 0.000 1.137 151 R CA 1.652 57.756 56.100 0.007 0.000 0.951 151 R CB -1.110 29.205 30.300 0.025 0.000 0.851 151 R HN 0.551 nan 8.270 nan 0.000 0.434 152 A N 0.309 123.090 122.820 -0.066 0.000 1.975 152 A HA -0.081 4.239 4.320 0.000 0.000 0.215 152 A C 2.210 179.683 177.584 -0.185 0.000 1.170 152 A CA 1.532 53.529 52.037 -0.066 0.000 0.656 152 A CB -0.242 18.738 19.000 -0.033 0.000 0.821 152 A HN 0.446 nan 8.150 nan 0.000 0.449 153 S N -2.464 113.046 115.700 -0.317 0.000 2.470 153 S HA 0.371 4.842 4.470 0.000 0.000 0.222 153 S C 1.638 176.068 174.600 -0.283 0.000 1.024 153 S CA 1.272 59.255 58.200 -0.362 0.000 0.931 153 S CB -0.041 62.764 63.200 -0.658 0.000 0.791 153 S HN 1.815 nan 8.310 nan 0.000 0.513 154 G N 1.336 109.990 108.800 -0.244 0.000 2.241 154 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 154 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 154 G C 0.021 174.875 174.900 -0.077 0.000 0.998 154 G CA 0.269 45.263 45.100 -0.177 0.000 0.621 154 G HN 0.640 nan 8.290 nan 0.000 0.519 155 K N 1.889 122.252 120.400 -0.062 0.000 2.098 155 K HA 0.508 4.828 4.320 0.000 0.000 0.257 155 K C -2.371 174.323 176.600 0.157 0.000 0.999 155 K CA -1.600 54.730 56.287 0.072 0.000 0.924 155 K CB 1.274 33.861 32.500 0.146 0.000 1.028 155 K HN 0.129 nan 8.250 nan 0.000 0.466 156 P HA 0.024 nan 4.420 nan 0.000 0.275 156 P C -0.437 177.018 177.300 0.258 0.000 1.227 156 P CA -0.297 62.905 63.100 0.170 0.000 0.781 156 P CB 0.764 32.528 31.700 0.107 0.000 0.906 157 G N 1.918 110.833 108.800 0.192 0.000 2.339 157 G HA2 0.420 4.380 3.960 0.000 0.000 0.287 157 G HA3 0.420 4.380 3.960 0.000 0.000 0.287 157 G C -0.484 174.463 174.900 0.079 0.000 1.163 157 G CA -0.392 44.818 45.100 0.184 0.000 0.872 157 G HN 0.342 nan 8.290 nan 0.000 0.464 158 V N 3.294 123.276 119.914 0.113 0.000 2.370 158 V HA 0.354 4.474 4.120 0.000 0.000 0.279 158 V C 0.056 176.257 176.094 0.177 0.000 1.029 158 V CA -0.593 61.790 62.300 0.137 0.000 0.870 158 V CB 1.356 33.287 31.823 0.180 0.000 0.984 158 V HN 0.488 nan 8.190 nan 0.000 0.451 159 V N 6.164 126.182 119.914 0.175 0.000 2.513 159 V HA 0.542 4.662 4.120 0.000 0.000 0.299 159 V C -0.563 175.694 176.094 0.272 0.000 1.035 159 V CA -0.641 61.763 62.300 0.173 0.000 0.889 159 V CB 1.856 33.725 31.823 0.078 0.000 0.988 159 V HN 0.660 nan 8.190 nan 0.000 0.440 160 L N 7.187 128.563 121.223 0.255 0.000 2.427 160 L HA 0.776 5.116 4.340 0.000 0.000 0.264 160 L C -0.477 176.599 176.870 0.343 0.000 0.989 160 L CA -0.087 54.931 54.840 0.297 0.000 0.865 160 L CB 1.479 43.680 42.059 0.237 0.000 1.209 160 L HN 0.575 nan 8.230 nan 0.000 0.430 161 V N 0.775 120.840 119.914 0.252 0.000 3.155 161 V HA 0.743 4.863 4.120 0.000 0.000 0.313 161 V C 0.092 176.265 176.094 0.132 0.000 1.162 161 V CA -0.450 61.975 62.300 0.209 0.000 1.048 161 V CB 1.563 33.463 31.823 0.128 0.000 1.092 161 V HN 0.642 nan 8.190 nan 0.000 0.447 162 T N 0.697 115.292 114.554 0.070 0.000 2.814 162 T HA 0.499 4.849 4.350 0.000 0.000 0.284 162 T C 0.671 175.353 174.700 -0.030 0.000 0.998 162 T CA 0.400 62.503 62.100 0.005 0.000 0.935 162 T CB 1.035 69.880 68.868 -0.038 0.000 1.167 162 T HN 1.572 nan 8.240 nan 0.000 0.545 163 S N -0.110 115.550 115.700 -0.066 0.000 2.640 163 S HA 0.563 5.033 4.470 0.000 0.000 0.262 163 S C 1.382 175.906 174.600 -0.126 0.000 1.232 163 S CA -0.023 58.123 58.200 -0.090 0.000 0.988 163 S CB -0.371 62.767 63.200 -0.104 0.000 1.034 163 S HN 1.579 nan 8.310 nan 0.000 0.569 164 G N 1.574 110.294 108.800 -0.133 0.000 2.690 164 G HA2 -0.304 3.657 3.960 0.000 0.000 0.334 164 G HA3 -0.304 3.657 3.960 0.000 0.000 0.334 164 G C -0.940 173.883 174.900 -0.128 0.000 1.250 164 G CA 0.535 45.547 45.100 -0.147 0.000 0.994 164 G HN 0.750 nan 8.290 nan 0.000 0.549 165 P HA -0.067 nan 4.420 nan 0.000 0.218 165 P C 1.915 179.131 177.300 -0.141 0.000 1.148 165 P CA 2.644 65.663 63.100 -0.135 0.000 0.822 165 P CB -0.715 30.897 31.700 -0.147 0.000 0.784 166 G N 0.381 109.103 108.800 -0.130 0.000 2.422 166 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 166 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 166 G C 1.785 176.641 174.900 -0.073 0.000 1.146 166 G CA 0.977 46.014 45.100 -0.104 0.000 0.769 166 G HN 0.387 nan 8.290 nan 0.000 0.547 167 A N 0.838 123.615 122.820 -0.071 0.000 1.874 167 A HA 0.043 4.363 4.320 0.000 0.000 0.214 167 A C 2.645 180.189 177.584 -0.067 0.000 1.189 167 A CA 2.428 54.429 52.037 -0.061 0.000 0.615 167 A CB -1.056 17.905 19.000 -0.065 0.000 0.830 167 A HN 0.481 nan 8.150 nan 0.000 0.443 168 T N -1.794 112.716 114.554 -0.074 0.000 2.881 168 T HA -0.141 4.209 4.350 0.000 0.000 0.270 168 T C 1.405 176.075 174.700 -0.050 0.000 1.068 168 T CA 1.615 63.675 62.100 -0.065 0.000 1.131 168 T CB -0.818 68.011 68.868 -0.065 0.000 0.871 168 T HN 0.583 nan 8.240 nan 0.000 0.479 169 N N 1.042 119.710 118.700 -0.053 0.000 2.520 169 N HA 0.010 4.750 4.740 0.000 0.000 0.185 169 N C 1.380 176.891 175.510 0.001 0.000 1.068 169 N CA 0.887 53.937 53.050 -0.001 0.000 0.911 169 N CB 0.003 38.445 38.487 -0.076 0.000 0.961 169 N HN 0.526 nan 8.380 nan 0.000 0.446 170 V N -3.026 116.862 119.914 -0.043 0.000 3.376 170 V HA 0.198 4.318 4.120 0.000 0.000 0.313 170 V C 1.522 177.566 176.094 -0.083 0.000 1.393 170 V CA -0.052 62.205 62.300 -0.072 0.000 1.125 170 V CB 0.021 31.807 31.823 -0.062 0.000 1.037 170 V HN -0.098 nan 8.190 nan 0.000 0.440 171 V N 1.122 120.994 119.914 -0.070 0.000 2.307 171 V HA -0.207 3.913 4.120 0.000 0.000 0.245 171 V C 2.768 178.823 176.094 -0.066 0.000 1.045 171 V CA 2.957 65.213 62.300 -0.073 0.000 1.024 171 V CB -0.945 30.838 31.823 -0.067 0.000 0.651 171 V HN 0.652 nan 8.190 nan 0.000 0.449 172 T N 0.330 114.850 114.554 -0.056 0.000 2.684 172 T HA -0.121 4.230 4.350 0.000 0.000 0.267 172 T C -0.059 174.626 174.700 -0.025 0.000 1.036 172 T CA 2.110 64.194 62.100 -0.027 0.000 1.148 172 T CB -1.120 67.749 68.868 0.002 0.000 0.863 172 T HN 0.424 nan 8.240 nan 0.000 0.436 173 P HA 0.019 nan 4.420 nan 0.000 0.217 173 P C 1.618 178.898 177.300 -0.033 0.000 1.150 173 P CA 1.098 64.100 63.100 -0.164 0.000 0.832 173 P CB -0.117 31.359 31.700 -0.373 0.000 0.787 174 M N -1.176 118.394 119.600 -0.050 0.000 2.099 174 M HA -0.118 4.362 4.480 0.000 0.000 0.262 174 M C 2.184 178.501 176.300 0.027 0.000 1.067 174 M CA 1.992 57.278 55.300 -0.022 0.000 1.124 174 M CB -0.972 31.588 32.600 -0.066 0.000 1.353 174 M HN -0.101 nan 8.290 nan 0.000 0.410 175 A N 0.142 122.962 122.820 0.000 0.000 1.940 175 A HA -0.234 4.086 4.320 0.000 0.000 0.219 175 A C 1.931 179.571 177.584 0.092 0.000 1.176 175 A CA 2.079 54.136 52.037 0.033 0.000 0.631 175 A CB -0.901 18.094 19.000 -0.009 0.000 0.814 175 A HN 0.556 nan 8.150 nan 0.000 0.446 176 D N -0.001 120.435 120.400 0.059 0.000 2.084 176 D HA -0.073 4.567 4.640 0.000 0.000 0.196 176 D C 2.127 178.446 176.300 0.032 0.000 0.985 176 D CA 1.427 55.445 54.000 0.030 0.000 0.826 176 D CB -0.121 40.719 40.800 0.067 0.000 0.978 176 D HN 0.320 nan 8.370 nan 0.000 0.456 177 A N -0.052 122.809 122.820 0.069 0.000 2.019 177 A HA -0.149 4.171 4.320 0.000 0.000 0.219 177 A C 2.027 179.660 177.584 0.083 0.000 1.164 177 A CA 0.770 52.844 52.037 0.062 0.000 0.644 177 A CB -0.931 18.107 19.000 0.063 0.000 0.805 177 A HN 0.378 nan 8.150 nan 0.000 0.449 178 F N 0.609 120.539 119.950 -0.034 0.000 2.163 178 F HA 0.065 4.592 4.527 0.000 0.000 0.297 178 F C 2.478 178.258 175.800 -0.034 0.000 1.094 178 F CA 0.887 58.869 58.000 -0.031 0.000 1.290 178 F CB -0.332 38.650 39.000 -0.031 0.000 1.017 178 F HN 0.239 nan 8.300 nan 0.000 0.483 179 A N -0.549 122.295 122.820 0.040 0.000 1.898 179 A HA -0.134 4.186 4.320 0.000 0.000 0.216 179 A C 1.619 179.131 177.584 -0.119 0.000 1.181 179 A CA 1.828 53.830 52.037 -0.059 0.000 0.620 179 A CB -0.710 18.280 19.000 -0.017 0.000 0.819 179 A HN 0.357 nan 8.150 nan 0.000 0.442 180 D N -0.712 119.626 120.400 -0.103 0.000 2.325 180 D HA 0.276 4.916 4.640 0.000 0.000 0.225 180 D C 1.021 177.262 176.300 -0.099 0.000 1.096 180 D CA 0.860 54.794 54.000 -0.111 0.000 0.844 180 D CB -0.198 40.527 40.800 -0.126 0.000 0.925 180 D HN 0.523 nan 8.370 nan 0.000 0.513 181 G N 1.767 110.492 108.800 -0.125 0.000 2.350 181 G HA2 -0.290 3.670 3.960 0.000 0.000 0.298 181 G HA3 -0.290 3.670 3.960 0.000 0.000 0.298 181 G C 0.144 175.012 174.900 -0.053 0.000 1.037 181 G CA -0.071 44.961 45.100 -0.114 0.000 1.074 181 G HN 0.370 nan 8.290 nan 0.000 0.511 182 I N 1.617 122.171 120.570 -0.026 0.000 2.359 182 I HA 0.307 4.477 4.170 0.000 0.000 0.294 182 I C -1.681 174.443 176.117 0.011 0.000 0.987 182 I CA -2.675 58.626 61.300 0.003 0.000 1.225 182 I CB 2.031 40.044 38.000 0.023 0.000 1.366 182 I HN -0.016 nan 8.210 nan 0.000 0.466 183 P HA 0.125 nan 4.420 nan 0.000 0.270 183 P C -0.973 176.327 177.300 0.000 0.000 1.242 183 P CA -0.072 63.032 63.100 0.007 0.000 0.768 183 P CB 0.945 32.657 31.700 0.021 0.000 0.820 184 M N 4.067 123.644 119.600 -0.038 0.000 2.322 184 M HA 0.291 4.771 4.480 0.000 0.000 0.285 184 M C -1.951 174.252 176.300 -0.162 0.000 1.119 184 M CA -0.771 54.488 55.300 -0.068 0.000 0.953 184 M CB 2.280 34.860 32.600 -0.033 0.000 1.701 184 M HN -0.084 nan 8.290 nan 0.000 0.479 185 V N 5.399 125.155 119.914 -0.262 0.000 2.334 185 V HA 0.442 4.562 4.120 0.000 0.000 0.281 185 V C -0.602 175.266 176.094 -0.377 0.000 1.016 185 V CA -0.665 61.366 62.300 -0.450 0.000 0.832 185 V CB 1.419 32.743 31.823 -0.831 0.000 0.999 185 V HN 0.658 nan 8.190 nan 0.000 0.439 186 V N 6.014 125.708 119.914 -0.368 0.000 2.370 186 V HA 0.467 4.587 4.120 0.000 0.000 0.279 186 V C -0.442 175.450 176.094 -0.337 0.000 1.029 186 V CA -0.334 61.827 62.300 -0.232 0.000 0.870 186 V CB 1.092 32.833 31.823 -0.136 0.000 0.984 186 V HN 0.650 nan 8.190 nan 0.000 0.451 187 F N 3.177 123.156 119.950 0.047 0.000 2.385 187 F HA 0.541 5.068 4.527 0.000 0.000 0.360 187 F C 0.758 176.567 175.800 0.015 0.000 1.122 187 F CA -0.486 57.545 58.000 0.053 0.000 1.090 187 F CB 1.875 40.940 39.000 0.107 0.000 1.150 187 F HN 0.499 nan 8.300 nan 0.000 0.472 188 T N 0.311 114.943 114.554 0.131 0.000 2.807 188 T HA 0.685 5.035 4.350 0.000 0.000 0.279 188 T C 0.209 174.939 174.700 0.049 0.000 0.993 188 T CA -0.937 61.203 62.100 0.066 0.000 0.970 188 T CB 1.453 70.322 68.868 0.000 0.000 0.950 188 T HN 0.749 nan 8.240 nan 0.000 0.441 189 G N 1.421 110.242 108.800 0.034 0.000 2.544 189 G HA2 0.477 4.438 3.960 0.000 0.000 0.242 189 G HA3 0.477 4.438 3.960 0.000 0.000 0.242 189 G C -0.575 174.315 174.900 -0.017 0.000 1.247 189 G CA -0.247 44.857 45.100 0.007 0.000 0.840 189 G HN 0.859 nan 8.290 nan 0.000 0.578 190 Q N -0.507 119.281 119.800 -0.020 0.000 2.456 190 Q HA 0.506 4.846 4.340 0.000 0.000 0.283 190 Q C -0.034 175.949 176.000 -0.028 0.000 1.084 190 Q CA -0.744 55.040 55.803 -0.032 0.000 0.801 190 Q CB 2.015 30.738 28.738 -0.025 0.000 1.434 190 Q HN 0.912 nan 8.270 nan 0.000 0.419 191 V N 0.066 119.960 119.914 -0.033 0.000 3.237 191 V HA 0.535 4.655 4.120 0.000 0.000 0.305 191 V C -2.213 173.878 176.094 -0.006 0.000 1.096 191 V CA -1.442 60.849 62.300 -0.016 0.000 1.130 191 V CB -0.284 31.532 31.823 -0.011 0.000 1.048 191 V HN 0.787 nan 8.190 nan 0.000 0.484 192 P HA 0.097 nan 4.420 nan 0.000 0.266 192 P C 1.216 178.518 177.300 0.003 0.000 1.195 192 P CA 0.844 63.947 63.100 0.005 0.000 0.768 192 P CB 0.438 32.144 31.700 0.010 0.000 0.838 193 T N -0.795 113.761 114.554 0.003 0.000 2.760 193 T HA -0.232 4.118 4.350 0.000 0.000 0.269 193 T C 1.611 176.312 174.700 0.002 0.000 1.047 193 T CA 1.901 64.002 62.100 0.002 0.000 1.139 193 T CB -1.235 67.636 68.868 0.005 0.000 0.855 193 T HN 0.446 nan 8.240 nan 0.000 0.471 194 S N 1.218 116.921 115.700 0.005 0.000 2.515 194 S HA 0.400 4.870 4.470 0.000 0.000 0.231 194 S C 1.977 176.580 174.600 0.006 0.000 0.987 194 S CA 0.297 58.500 58.200 0.005 0.000 0.936 194 S CB -0.373 62.831 63.200 0.006 0.000 0.766 194 S HN 0.805 nan 8.310 nan 0.000 0.528 195 A N 0.568 123.392 122.820 0.007 0.000 2.324 195 A HA 0.508 4.828 4.320 0.000 0.000 0.220 195 A C 0.652 178.239 177.584 0.005 0.000 1.209 195 A CA -0.496 51.547 52.037 0.010 0.000 0.918 195 A CB -0.119 18.893 19.000 0.019 0.000 0.959 195 A HN 0.506 nan 8.150 nan 0.000 0.507 196 I N 0.726 121.296 120.570 -0.002 0.000 2.683 196 I HA 0.229 4.399 4.170 0.000 0.000 0.286 196 I C 1.537 177.649 176.117 -0.008 0.000 1.175 196 I CA 1.523 62.818 61.300 -0.009 0.000 1.429 196 I CB 0.390 38.383 38.000 -0.013 0.000 1.371 196 I HN 0.481 nan 8.210 nan 0.000 0.569 197 G N 3.890 112.683 108.800 -0.011 0.000 2.157 197 G HA2 -0.276 3.684 3.960 0.000 0.000 0.248 197 G HA3 -0.276 3.684 3.960 0.000 0.000 0.248 197 G C 0.599 175.496 174.900 -0.005 0.000 0.979 197 G CA 0.433 45.527 45.100 -0.011 0.000 0.650 197 G HN 0.786 nan 8.290 nan 0.000 0.529 198 T N -2.136 112.417 114.554 -0.001 0.000 3.174 198 T HA 0.415 4.765 4.350 0.000 0.000 0.269 198 T C 0.568 175.274 174.700 0.009 0.000 1.017 198 T CA 0.784 62.886 62.100 0.004 0.000 0.899 198 T CB 0.168 69.041 68.868 0.008 0.000 1.077 198 T HN 0.440 nan 8.240 nan 0.000 0.552 199 D N 1.179 121.582 120.400 0.005 0.000 2.723 199 D HA -0.134 4.506 4.640 0.000 0.000 0.236 199 D C 0.532 176.849 176.300 0.027 0.000 1.138 199 D CA 0.883 54.888 54.000 0.008 0.000 0.676 199 D CB -1.542 39.264 40.800 0.008 0.000 1.069 199 D HN 0.845 nan 8.370 nan 0.000 0.430 200 A N -0.031 122.806 122.820 0.029 0.000 2.386 200 A HA 0.356 4.676 4.320 0.000 0.000 0.246 200 A C 0.383 178.027 177.584 0.100 0.000 1.089 200 A CA -0.337 51.738 52.037 0.064 0.000 0.790 200 A CB 0.232 19.261 19.000 0.048 0.000 1.042 200 A HN 0.209 nan 8.150 nan 0.000 0.497 201 F N 0.996 120.934 119.950 -0.020 0.000 2.602 201 F HA 0.160 4.687 4.527 0.000 0.000 0.385 201 F C 1.195 176.981 175.800 -0.024 0.000 1.063 201 F CA 0.927 58.914 58.000 -0.022 0.000 1.233 201 F CB -0.356 38.631 39.000 -0.021 0.000 1.067 201 F HN 0.775 nan 8.300 nan 0.000 0.564 202 Q N 2.092 121.550 119.800 -0.569 0.000 2.475 202 Q HA -0.305 4.035 4.340 0.000 0.000 0.280 202 Q C -0.215 175.626 176.000 -0.265 0.000 1.234 202 Q CA 1.242 56.717 55.803 -0.547 0.000 0.873 202 Q CB -1.417 26.811 28.738 -0.850 0.000 1.256 202 Q HN 0.870 nan 8.270 nan 0.000 0.475 203 E N -0.057 120.052 120.200 -0.151 0.000 2.191 203 E HA 0.689 5.039 4.350 0.000 0.000 0.278 203 E C -0.905 175.647 176.600 -0.081 0.000 0.972 203 E CA 0.061 56.406 56.400 -0.093 0.000 0.804 203 E CB 1.278 30.949 29.700 -0.049 0.000 1.110 203 E HN 0.299 nan 8.360 nan 0.000 0.394 204 A N 3.639 126.414 122.820 -0.076 0.000 2.549 204 A HA 0.255 4.575 4.320 0.000 0.000 0.297 204 A C -1.170 176.375 177.584 -0.064 0.000 1.061 204 A CA -0.811 51.184 52.037 -0.069 0.000 0.690 204 A CB 1.702 20.655 19.000 -0.078 0.000 1.287 204 A HN 0.699 nan 8.150 nan 0.000 0.402 205 D N 2.450 122.814 120.400 -0.061 0.000 2.551 205 D HA 0.246 4.886 4.640 0.000 0.000 0.223 205 D C 1.182 177.437 176.300 -0.075 0.000 1.144 205 D CA 0.117 54.079 54.000 -0.063 0.000 1.025 205 D CB 0.081 40.846 40.800 -0.057 0.000 1.085 205 D HN 0.139 nan 8.370 nan 0.000 0.506 206 V N 2.442 122.308 119.914 -0.080 0.000 2.343 206 V HA -0.240 3.880 4.120 0.000 0.000 0.247 206 V C 2.532 178.561 176.094 -0.109 0.000 1.051 206 V CA 1.115 63.361 62.300 -0.090 0.000 1.036 206 V CB -0.294 31.478 31.823 -0.086 0.000 0.654 206 V HN 0.395 nan 8.190 nan 0.000 0.451 207 V N 0.887 120.732 119.914 -0.114 0.000 2.392 207 V HA -0.197 3.923 4.120 0.000 0.000 0.249 207 V C 2.530 178.547 176.094 -0.128 0.000 1.059 207 V CA 2.189 64.404 62.300 -0.140 0.000 1.051 207 V CB -1.287 30.451 31.823 -0.142 0.000 0.658 207 V HN 0.623 nan 8.190 nan 0.000 0.455 208 G N -0.275 108.464 108.800 -0.103 0.000 2.404 208 G HA2 -0.159 3.801 3.960 0.000 0.000 0.214 208 G HA3 -0.159 3.801 3.960 0.000 0.000 0.214 208 G C 1.563 176.404 174.900 -0.098 0.000 1.189 208 G CA 0.819 45.864 45.100 -0.092 0.000 0.789 208 G HN 0.458 nan 8.290 nan 0.000 0.533 209 I N 1.885 122.398 120.570 -0.095 0.000 2.163 209 I HA -0.220 3.950 4.170 0.000 0.000 0.243 209 I C 2.917 178.963 176.117 -0.119 0.000 1.085 209 I CA 1.770 63.012 61.300 -0.096 0.000 1.347 209 I CB -0.223 37.725 38.000 -0.088 0.000 1.044 209 I HN 0.337 nan 8.210 nan 0.000 0.408 210 S N 0.275 115.894 115.700 -0.135 0.000 2.603 210 S HA -0.033 4.437 4.470 0.000 0.000 0.220 210 S C 1.820 176.299 174.600 -0.202 0.000 0.967 210 S CA 0.011 58.111 58.200 -0.167 0.000 0.920 210 S CB -0.278 62.826 63.200 -0.159 0.000 0.773 210 S HN 0.324 nan 8.310 nan 0.000 0.529 211 R N 2.630 123.025 120.500 -0.175 0.000 2.113 211 R HA -0.160 4.180 4.340 0.000 0.000 0.244 211 R C 2.237 178.406 176.300 -0.219 0.000 1.142 211 R CA 2.236 58.232 56.100 -0.172 0.000 0.953 211 R CB -0.721 29.503 30.300 -0.127 0.000 0.860 211 R HN 0.598 nan 8.270 nan 0.000 0.438 212 S N -1.172 114.387 115.700 -0.234 0.000 2.562 212 S HA -0.045 4.425 4.470 0.000 0.000 0.221 212 S C 1.393 175.632 174.600 -0.602 0.000 0.975 212 S CA 0.220 58.242 58.200 -0.296 0.000 0.918 212 S CB -0.294 62.798 63.200 -0.181 0.000 0.772 212 S HN 0.560 nan 8.310 nan 0.000 0.531 213 C N 1.268 120.188 119.300 -0.633 0.000 2.741 213 C HA 0.688 5.148 4.460 0.000 0.000 0.267 213 C C 0.342 174.856 174.990 -0.794 0.000 1.549 213 C CA -0.345 58.138 59.018 -0.891 0.000 1.772 213 C CB -1.570 25.944 27.740 -0.376 0.000 2.962 213 C HN 0.506 nan 8.230 nan 0.000 0.514 214 T N -3.302 110.793 114.554 -0.764 0.000 2.956 214 T HA 0.420 4.770 4.350 0.000 0.000 0.312 214 T C 0.233 174.967 174.700 0.057 0.000 1.151 214 T CA -0.541 61.444 62.100 -0.193 0.000 1.024 214 T CB 1.553 70.344 68.868 -0.128 0.000 1.140 214 T HN 0.208 nan 8.240 nan 0.000 0.473 215 K N 0.026 120.628 120.400 0.337 0.000 2.148 215 K HA 0.087 4.407 4.320 0.000 0.000 0.204 215 K C -0.033 176.762 176.600 0.324 0.000 1.050 215 K CA 1.062 57.567 56.287 0.363 0.000 0.942 215 K CB 0.127 32.780 32.500 0.255 0.000 0.724 215 K HN 0.689 nan 8.250 nan 0.000 0.446 216 W N 0.619 121.929 121.300 0.015 0.000 3.298 216 W HA 0.189 4.849 4.660 0.000 0.000 0.302 216 W C -2.156 174.334 176.519 -0.049 0.000 1.255 216 W CA -0.880 56.456 57.345 -0.015 0.000 1.196 216 W CB 0.963 30.420 29.460 -0.004 0.000 1.364 216 W HN 0.020 nan 8.180 nan 0.000 0.566 217 N N 2.822 121.060 118.700 -0.770 0.000 2.708 217 N HA 0.766 5.506 4.740 0.000 0.000 0.257 217 N C -2.322 172.495 175.510 -1.155 0.000 1.373 217 N CA -0.651 51.909 53.050 -0.817 0.000 0.843 217 N CB 2.227 40.470 38.487 -0.406 0.000 1.503 217 N HN 0.729 nan 8.380 nan 0.000 0.504 218 V N -0.547 118.889 119.914 -0.797 0.000 3.236 218 V HA 0.582 4.702 4.120 0.000 0.000 0.287 218 V C -1.733 174.194 176.094 -0.279 0.000 1.491 218 V CA -0.904 61.056 62.300 -0.566 0.000 1.037 218 V CB 2.129 33.560 31.823 -0.653 0.000 1.160 218 V HN 0.938 nan 8.190 nan 0.000 0.453 219 M N 4.869 124.372 119.600 -0.161 0.000 2.114 219 M HA 0.581 5.061 4.480 0.000 0.000 0.332 219 M C -1.255 175.032 176.300 -0.023 0.000 1.014 219 M CA -0.646 54.608 55.300 -0.077 0.000 0.956 219 M CB 1.482 34.042 32.600 -0.066 0.000 1.551 219 M HN 0.577 nan 8.290 nan 0.000 0.427 220 V N 6.531 126.457 119.914 0.021 0.000 2.450 220 V HA -0.008 4.112 4.120 0.000 0.000 0.281 220 V C 0.877 176.996 176.094 0.041 0.000 1.019 220 V CA 0.279 62.613 62.300 0.058 0.000 1.062 220 V CB 0.503 32.385 31.823 0.098 0.000 0.979 220 V HN 0.884 nan 8.190 nan 0.000 0.477 221 K N 2.796 123.221 120.400 0.041 0.000 2.186 221 K HA 0.057 4.377 4.320 0.000 0.000 0.202 221 K C 0.820 177.442 176.600 0.036 0.000 1.052 221 K CA 0.787 57.093 56.287 0.032 0.000 0.965 221 K CB 0.151 32.669 32.500 0.030 0.000 0.746 221 K HN 0.900 nan 8.250 nan 0.000 0.457 222 S N -2.234 113.494 115.700 0.048 0.000 2.607 222 S HA 0.220 4.690 4.470 0.000 0.000 0.273 222 S C 0.557 175.192 174.600 0.059 0.000 1.148 222 S CA -0.638 57.590 58.200 0.047 0.000 0.833 222 S CB 1.414 64.641 63.200 0.045 0.000 1.130 222 S HN -0.173 nan 8.310 nan 0.000 0.470 223 V N 1.146 121.092 119.914 0.052 0.000 2.594 223 V HA -0.089 4.031 4.120 0.000 0.000 0.253 223 V C 2.038 178.177 176.094 0.076 0.000 1.069 223 V CA 2.431 64.765 62.300 0.057 0.000 1.082 223 V CB -1.081 30.766 31.823 0.040 0.000 0.680 223 V HN 0.935 nan 8.190 nan 0.000 0.469 224 E N 0.242 120.487 120.200 0.076 0.000 2.153 224 E HA -0.232 4.118 4.350 0.000 0.000 0.194 224 E C 2.147 178.808 176.600 0.102 0.000 0.988 224 E CA 1.591 58.044 56.400 0.089 0.000 0.811 224 E CB -0.208 29.535 29.700 0.071 0.000 0.746 224 E HN 0.791 nan 8.360 nan 0.000 0.466 225 E N -0.117 120.141 120.200 0.096 0.000 2.435 225 E HA -0.086 4.264 4.350 0.000 0.000 0.195 225 E C 1.690 178.372 176.600 0.136 0.000 1.029 225 E CA -0.046 56.420 56.400 0.110 0.000 0.865 225 E CB 0.105 29.864 29.700 0.098 0.000 0.833 225 E HN 0.134 nan 8.360 nan 0.000 0.510 226 L N 1.641 122.942 121.223 0.131 0.000 1.970 226 L HA -0.117 4.223 4.340 0.000 0.000 0.212 226 L C -1.036 175.940 176.870 0.177 0.000 1.071 226 L CA 2.144 57.075 54.840 0.152 0.000 0.751 226 L CB -1.100 41.026 42.059 0.112 0.000 0.889 226 L HN 0.080 nan 8.230 nan 0.000 0.432 227 P HA -0.201 nan 4.420 nan 0.000 0.215 227 P C 1.904 179.312 177.300 0.180 0.000 1.157 227 P CA 1.421 64.640 63.100 0.199 0.000 0.874 227 P CB -0.155 31.717 31.700 0.287 0.000 0.790 228 L N -0.422 120.900 121.223 0.165 0.000 1.956 228 L HA -0.206 4.134 4.340 0.000 0.000 0.216 228 L C 2.284 179.270 176.870 0.193 0.000 1.073 228 L CA 2.138 57.068 54.840 0.149 0.000 0.762 228 L CB -1.024 41.114 42.059 0.132 0.000 0.889 228 L HN -0.203 nan 8.230 nan 0.000 0.433 229 R N 0.058 120.704 120.500 0.243 0.000 2.103 229 R HA -0.147 4.193 4.340 0.000 0.000 0.242 229 R C 2.332 178.868 176.300 0.392 0.000 1.142 229 R CA 2.067 58.377 56.100 0.350 0.000 0.960 229 R CB -1.292 29.199 30.300 0.319 0.000 0.858 229 R HN 0.524 nan 8.270 nan 0.000 0.439 230 I N 1.311 122.104 120.570 0.373 0.000 2.226 230 I HA -0.284 3.886 4.170 0.000 0.000 0.245 230 I C 1.837 178.218 176.117 0.439 0.000 1.100 230 I CA 1.200 62.788 61.300 0.479 0.000 1.374 230 I CB -0.359 37.860 38.000 0.366 0.000 1.057 230 I HN 0.163 nan 8.210 nan 0.000 0.413 231 N N 0.763 119.619 118.700 0.259 0.000 2.188 231 N HA -0.163 4.577 4.740 0.000 0.000 0.184 231 N C 1.692 177.293 175.510 0.152 0.000 1.018 231 N CA 1.244 54.401 53.050 0.179 0.000 0.858 231 N CB -0.198 38.345 38.487 0.093 0.000 0.989 231 N HN 0.479 nan 8.380 nan 0.000 0.426 232 E N 1.022 121.279 120.200 0.096 0.000 2.072 232 E HA -0.080 4.270 4.350 0.000 0.000 0.191 232 E C 2.019 178.536 176.600 -0.140 0.000 0.985 232 E CA 0.949 57.280 56.400 -0.115 0.000 0.801 232 E CB -0.078 29.464 29.700 -0.262 0.000 0.750 232 E HN 0.311 nan 8.360 nan 0.000 0.452 233 A N 1.280 124.191 122.820 0.151 0.000 1.851 233 A HA -0.204 4.116 4.320 0.000 0.000 0.216 233 A C 1.969 179.589 177.584 0.059 0.000 1.195 233 A CA 1.441 53.608 52.037 0.216 0.000 0.622 233 A CB -0.996 18.150 19.000 0.243 0.000 0.831 233 A HN 0.178 nan 8.150 nan 0.000 0.444 234 F N -0.085 119.904 119.950 0.065 0.000 2.161 234 F HA -0.155 4.372 4.527 0.000 0.000 0.300 234 F C 2.414 178.217 175.800 0.004 0.000 1.089 234 F CA 1.849 59.875 58.000 0.043 0.000 1.282 234 F CB -0.288 38.745 39.000 0.054 0.000 1.010 234 F HN 0.435 nan 8.300 nan 0.000 0.485 235 E N 0.665 120.953 120.200 0.146 0.000 2.047 235 E HA -0.200 4.150 4.350 0.000 0.000 0.191 235 E C 2.293 178.880 176.600 -0.021 0.000 0.987 235 E CA 1.460 57.885 56.400 0.041 0.000 0.799 235 E CB -0.229 29.464 29.700 -0.013 0.000 0.752 235 E HN 0.400 nan 8.360 nan 0.000 0.449 236 I N 0.941 121.459 120.570 -0.087 0.000 2.286 236 I HA -0.234 3.936 4.170 0.000 0.000 0.248 236 I C 2.573 178.674 176.117 -0.026 0.000 1.115 236 I CA 0.939 62.177 61.300 -0.103 0.000 1.392 236 I CB -0.342 37.532 38.000 -0.211 0.000 1.065 236 I HN 0.173 nan 8.210 nan 0.000 0.418 237 A N 0.656 123.467 122.820 -0.015 0.000 1.969 237 A HA -0.179 4.141 4.320 0.000 0.000 0.218 237 A C 2.251 179.834 177.584 -0.002 0.000 1.169 237 A CA 2.199 54.227 52.037 -0.016 0.000 0.635 237 A CB -0.889 18.058 19.000 -0.088 0.000 0.810 237 A HN 0.523 nan 8.150 nan 0.000 0.445 238 T N -2.349 112.213 114.554 0.014 0.000 3.069 238 T HA 0.293 4.643 4.350 0.000 0.000 0.252 238 T C 0.694 175.402 174.700 0.014 0.000 1.053 238 T CA 0.467 62.582 62.100 0.026 0.000 0.964 238 T CB -0.406 68.497 68.868 0.059 0.000 1.005 238 T HN 0.526 nan 8.240 nan 0.000 0.532 239 S N -0.316 115.385 115.700 0.002 0.000 2.718 239 S HA 0.779 5.249 4.470 0.000 0.000 0.300 239 S C 1.110 175.706 174.600 -0.008 0.000 1.117 239 S CA -0.187 58.011 58.200 -0.004 0.000 1.002 239 S CB 1.063 64.254 63.200 -0.015 0.000 1.092 239 S HN 0.975 nan 8.310 nan 0.000 0.542 240 G N 1.579 110.376 108.800 -0.006 0.000 2.622 240 G HA2 -0.325 3.635 3.960 0.000 0.000 0.307 240 G HA3 -0.325 3.635 3.960 0.000 0.000 0.307 240 G C -0.090 174.805 174.900 -0.010 0.000 1.226 240 G CA 0.494 45.589 45.100 -0.009 0.000 0.997 240 G HN 1.031 nan 8.290 nan 0.000 0.551 241 R N 1.851 122.336 120.500 -0.025 0.000 2.202 241 R HA 0.471 4.811 4.340 0.000 0.000 0.334 241 R C -2.278 173.999 176.300 -0.040 0.000 1.036 241 R CA -1.584 54.493 56.100 -0.037 0.000 0.878 241 R CB 0.818 31.078 30.300 -0.067 0.000 1.067 241 R HN 0.264 nan 8.270 nan 0.000 0.457 242 P HA 0.079 nan 4.420 nan 0.000 0.269 242 P C -0.553 176.727 177.300 -0.033 0.000 1.211 242 P CA 0.165 63.255 63.100 -0.018 0.000 0.781 242 P CB 0.749 32.446 31.700 -0.006 0.000 0.877 243 G N 0.523 109.320 108.800 -0.006 0.000 2.441 243 G HA2 0.476 4.436 3.960 0.000 0.000 0.294 243 G HA3 0.476 4.436 3.960 0.000 0.000 0.294 243 G C -3.338 171.597 174.900 0.059 0.000 1.393 243 G CA -0.867 44.245 45.100 0.021 0.000 0.796 243 G HN 0.277 nan 8.290 nan 0.000 0.494 244 P HA 0.543 nan 4.420 nan 0.000 0.286 244 P C -0.352 176.984 177.300 0.060 0.000 1.261 244 P CA -0.424 62.711 63.100 0.058 0.000 0.821 244 P CB 1.920 33.658 31.700 0.064 0.000 1.013 245 V N 0.921 120.822 119.914 -0.021 0.000 2.962 245 V HA 0.709 4.829 4.120 0.000 0.000 0.313 245 V C -1.003 175.008 176.094 -0.140 0.000 1.099 245 V CA -1.195 61.104 62.300 -0.002 0.000 0.971 245 V CB 2.072 33.965 31.823 0.117 0.000 1.028 245 V HN 0.504 nan 8.190 nan 0.000 0.430 246 L N 3.060 124.176 121.223 -0.178 0.000 2.385 246 L HA 0.853 5.193 4.340 0.000 0.000 0.273 246 L C -1.330 175.368 176.870 -0.287 0.000 0.990 246 L CA -0.591 54.102 54.840 -0.245 0.000 0.821 246 L CB 2.041 43.982 42.059 -0.196 0.000 1.279 246 L HN 0.683 nan 8.230 nan 0.000 0.412 247 V N 3.472 123.213 119.914 -0.290 0.000 2.350 247 V HA 0.298 4.418 4.120 0.000 0.000 0.285 247 V C -0.691 175.391 176.094 -0.019 0.000 1.014 247 V CA -0.540 61.670 62.300 -0.150 0.000 0.831 247 V CB 1.454 33.251 31.823 -0.043 0.000 1.000 247 V HN 0.669 nan 8.190 nan 0.000 0.433 248 D N 4.587 124.960 120.400 -0.045 0.000 2.317 248 D HA 0.399 5.039 4.640 0.000 0.000 0.252 248 D C -0.451 175.871 176.300 0.037 0.000 1.174 248 D CA 0.107 54.098 54.000 -0.015 0.000 0.866 248 D CB 0.914 41.677 40.800 -0.062 0.000 1.127 248 D HN 0.415 nan 8.370 nan 0.000 0.467 249 L N 6.180 127.437 121.223 0.057 0.000 2.313 249 L HA 0.385 4.725 4.340 0.000 0.000 0.273 249 L C -2.175 174.705 176.870 0.016 0.000 1.028 249 L CA -1.987 52.885 54.840 0.053 0.000 0.871 249 L CB 1.487 43.581 42.059 0.058 0.000 1.242 249 L HN 0.186 nan 8.230 nan 0.000 0.434 250 P HA 0.016 nan 4.420 nan 0.000 0.267 250 P C 0.514 177.815 177.300 0.001 0.000 1.205 250 P CA -0.141 62.961 63.100 0.003 0.000 0.765 250 P CB 0.909 32.612 31.700 0.005 0.000 0.828 251 K N 3.922 124.320 120.400 -0.003 0.000 2.074 251 K HA -0.248 4.072 4.320 0.000 0.000 0.209 251 K C 1.260 177.860 176.600 -0.000 0.000 1.048 251 K CA 2.140 58.424 56.287 -0.004 0.000 0.926 251 K CB -0.293 32.206 32.500 -0.002 0.000 0.713 251 K HN 0.537 nan 8.250 nan 0.000 0.444 252 D N -0.044 120.358 120.400 0.004 0.000 2.264 252 D HA -0.120 4.520 4.640 0.000 0.000 0.208 252 D C 1.829 178.135 176.300 0.009 0.000 0.966 252 D CA 0.813 54.817 54.000 0.006 0.000 0.864 252 D CB -0.191 40.614 40.800 0.008 0.000 0.933 252 D HN 0.164 nan 8.370 nan 0.000 0.499 253 V N 1.425 121.345 119.914 0.011 0.000 2.407 253 V HA -0.159 3.961 4.120 0.000 0.000 0.245 253 V C 2.821 178.922 176.094 0.013 0.000 1.041 253 V CA 2.098 64.408 62.300 0.018 0.000 1.040 253 V CB -0.606 31.233 31.823 0.027 0.000 0.671 253 V HN 0.460 nan 8.190 nan 0.000 0.455 254 T N -1.576 112.980 114.554 0.002 0.000 3.023 254 T HA 0.076 4.426 4.350 0.000 0.000 0.266 254 T C 1.685 176.377 174.700 -0.013 0.000 1.093 254 T CA 1.124 63.217 62.100 -0.012 0.000 1.129 254 T CB -0.059 68.785 68.868 -0.040 0.000 0.899 254 T HN 0.402 nan 8.240 nan 0.000 0.491 255 A N 1.274 124.090 122.820 -0.006 0.000 2.095 255 A HA 0.742 5.062 4.320 0.000 0.000 0.212 255 A C 1.590 179.174 177.584 0.000 0.000 1.162 255 A CA 0.271 52.305 52.037 -0.005 0.000 0.753 255 A CB -0.712 18.286 19.000 -0.003 0.000 0.840 255 A HN 0.741 nan 8.150 nan 0.000 0.468 256 A N -0.038 122.785 122.820 0.005 0.000 2.466 256 A HA 0.488 4.808 4.320 0.000 0.000 0.238 256 A C 0.000 177.590 177.584 0.010 0.000 1.074 256 A CA 0.123 52.166 52.037 0.010 0.000 0.774 256 A CB -0.145 18.865 19.000 0.015 0.000 1.015 256 A HN 0.392 nan 8.150 nan 0.000 0.498 257 I N 1.454 122.032 120.570 0.014 0.000 2.359 257 I HA 0.165 4.335 4.170 0.000 0.000 0.294 257 I C -0.216 175.918 176.117 0.028 0.000 0.987 257 I CA -0.748 60.563 61.300 0.017 0.000 1.225 257 I CB 1.580 39.590 38.000 0.017 0.000 1.366 257 I HN 0.590 nan 8.210 nan 0.000 0.466 258 L N 7.761 129.007 121.223 0.038 0.000 2.530 258 L HA 0.121 4.461 4.340 0.000 0.000 0.273 258 L C 1.006 177.908 176.870 0.054 0.000 1.141 258 L CA 0.678 55.552 54.840 0.057 0.000 0.905 258 L CB -0.245 41.868 42.059 0.090 0.000 1.202 258 L HN 0.503 nan 8.230 nan 0.000 0.473 259 R N 2.704 123.231 120.500 0.045 0.000 2.362 259 R HA 0.319 4.659 4.340 0.000 0.000 0.227 259 R C -0.451 175.872 176.300 0.038 0.000 0.905 259 R CA 0.026 56.148 56.100 0.038 0.000 1.067 259 R CB -0.151 30.166 30.300 0.029 0.000 1.078 259 R HN 0.612 nan 8.270 nan 0.000 0.516 260 N N 1.193 119.921 118.700 0.046 0.000 2.258 260 N HA 0.361 5.101 4.740 0.000 0.000 0.299 260 N C -2.835 172.705 175.510 0.049 0.000 1.047 260 N CA -1.654 51.421 53.050 0.042 0.000 0.814 260 N CB 2.549 41.059 38.487 0.039 0.000 1.413 260 N HN -0.222 nan 8.380 nan 0.000 0.478 261 P HA 0.276 nan 4.420 nan 0.000 0.275 261 P C -0.338 176.981 177.300 0.032 0.000 1.227 261 P CA -0.184 62.934 63.100 0.031 0.000 0.781 261 P CB 0.676 32.385 31.700 0.014 0.000 0.906 262 I N -0.298 120.291 120.570 0.033 0.000 2.750 262 I HA 0.629 4.799 4.170 0.000 0.000 0.308 262 I C -2.678 173.445 176.117 0.009 0.000 1.016 262 I CA -3.688 57.634 61.300 0.036 0.000 1.098 262 I CB 1.859 39.903 38.000 0.073 0.000 1.279 262 I HN 0.039 nan 8.210 nan 0.000 0.454 263 P HA 0.029 nan 4.420 nan 0.000 0.258 263 P C 0.528 177.819 177.300 -0.015 0.000 1.187 263 P CA 0.382 63.483 63.100 0.002 0.000 0.767 263 P CB 0.512 32.220 31.700 0.013 0.000 0.770 264 T N 2.941 117.474 114.554 -0.035 0.000 2.760 264 T HA -0.234 4.116 4.350 0.000 0.000 0.269 264 T C 1.622 176.297 174.700 -0.042 0.000 1.047 264 T CA 1.357 63.422 62.100 -0.058 0.000 1.139 264 T CB -0.232 68.600 68.868 -0.059 0.000 0.855 264 T HN 0.493 nan 8.240 nan 0.000 0.471 265 K N 0.785 121.172 120.400 -0.021 0.000 2.026 265 K HA -0.160 4.160 4.320 0.000 0.000 0.208 265 K C 2.538 179.139 176.600 0.001 0.000 1.048 265 K CA 1.834 58.114 56.287 -0.011 0.000 0.929 265 K CB -0.384 32.114 32.500 -0.004 0.000 0.713 265 K HN 0.512 nan 8.250 nan 0.000 0.439 266 T N -1.584 112.979 114.554 0.015 0.000 2.897 266 T HA -0.131 4.219 4.350 0.000 0.000 0.271 266 T C 1.843 176.576 174.700 0.055 0.000 1.084 266 T CA 1.756 63.881 62.100 0.041 0.000 1.123 266 T CB -0.718 68.185 68.868 0.059 0.000 0.865 266 T HN 0.445 nan 8.240 nan 0.000 0.496 267 T N -0.629 113.940 114.554 0.024 0.000 3.067 267 T HA 0.350 4.700 4.350 0.000 0.000 0.257 267 T C 0.598 175.302 174.700 0.006 0.000 1.105 267 T CA -0.332 61.785 62.100 0.028 0.000 1.104 267 T CB -0.447 68.352 68.868 -0.115 0.000 0.925 267 T HN 0.402 nan 8.240 nan 0.000 0.498 268 L N 2.569 123.785 121.223 -0.012 0.000 2.275 268 L HA 0.426 4.766 4.340 0.000 0.000 0.288 268 L C -2.430 174.435 176.870 -0.010 0.000 1.046 268 L CA -2.717 52.111 54.840 -0.020 0.000 0.805 268 L CB 1.010 43.051 42.059 -0.030 0.000 1.193 268 L HN -0.105 nan 8.230 nan 0.000 0.426 269 P HA -0.033 nan 4.420 nan 0.000 0.252 269 P C 0.092 177.387 177.300 -0.010 0.000 1.183 269 P CA -0.014 63.073 63.100 -0.021 0.000 0.973 269 P CB -0.021 31.647 31.700 -0.054 0.000 0.990 279 R N -0.977 119.524 120.500 0.001 0.000 3.699 279 R HA 0.299 4.639 4.340 0.000 0.000 0.539 279 R C 1.133 177.438 176.300 0.008 0.000 0.241 279 R CA 2.337 58.437 56.100 0.001 0.000 1.674 279 R CB -1.861 28.435 30.300 -0.006 0.000 0.975 279 R HN 2.728 nan 8.270 nan 0.000 0.578 280 A N -0.576 122.249 122.820 0.009 0.000 2.508 280 A HA 0.330 4.650 4.320 0.000 0.000 0.257 280 A C 1.826 179.431 177.584 0.034 0.000 1.226 280 A CA 1.266 53.314 52.037 0.019 0.000 0.947 280 A CB 0.341 19.350 19.000 0.016 0.000 1.079 280 A HN 0.886 nan 8.150 nan 0.000 0.531 281 Q N 0.589 120.407 119.800 0.030 0.000 2.437 281 Q HA -0.174 4.166 4.340 0.000 0.000 0.210 281 Q C 0.328 176.388 176.000 0.099 0.000 0.972 281 Q CA 1.328 57.164 55.803 0.056 0.000 0.903 281 Q CB -0.110 28.633 28.738 0.009 0.000 0.967 281 Q HN 0.599 nan 8.270 nan 0.000 0.486 282 D N 0.931 121.368 120.400 0.062 0.000 2.315 282 D HA -0.201 4.439 4.640 0.000 0.000 0.211 282 D C 1.064 177.398 176.300 0.057 0.000 0.977 282 D CA 1.154 55.187 54.000 0.054 0.000 0.894 282 D CB 0.010 40.831 40.800 0.035 0.000 0.910 282 D HN 0.561 nan 8.370 nan 0.000 0.490 283 E N -0.358 119.885 120.200 0.071 0.000 2.086 283 E HA -0.069 4.281 4.350 0.000 0.000 0.190 283 E C 1.812 178.449 176.600 0.063 0.000 0.975 283 E CA 0.080 56.513 56.400 0.055 0.000 0.813 283 E CB -0.200 29.533 29.700 0.055 0.000 0.768 283 E HN 0.201 nan 8.360 nan 0.000 0.457 284 F N 1.650 121.587 119.950 -0.022 0.000 2.126 284 F HA -0.235 4.292 4.527 0.000 0.000 0.299 284 F C 2.086 177.862 175.800 -0.040 0.000 1.096 284 F CA 1.108 59.090 58.000 -0.030 0.000 1.255 284 F CB -0.077 38.904 39.000 -0.031 0.000 0.997 284 F HN -0.205 nan 8.300 nan 0.000 0.479 285 V N 0.079 120.059 119.914 0.111 0.000 2.295 285 V HA -0.342 3.778 4.120 0.000 0.000 0.246 285 V C 2.460 178.503 176.094 -0.085 0.000 1.049 285 V CA 1.774 64.080 62.300 0.010 0.000 1.024 285 V CB -0.628 31.225 31.823 0.050 0.000 0.648 285 V HN 0.306 nan 8.190 nan 0.000 0.447 286 M N -0.361 119.208 119.600 -0.053 0.000 2.080 286 M HA -0.221 4.259 4.480 0.000 0.000 0.260 286 M C 2.308 178.541 176.300 -0.111 0.000 1.068 286 M CA 1.751 57.016 55.300 -0.059 0.000 1.109 286 M CB -1.339 31.244 32.600 -0.029 0.000 1.342 286 M HN 0.433 nan 8.290 nan 0.000 0.405 287 Q N -0.871 118.833 119.800 -0.160 0.000 2.112 287 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 287 Q C 2.187 178.031 176.000 -0.259 0.000 0.987 287 Q CA 2.015 57.692 55.803 -0.209 0.000 0.858 287 Q CB -0.257 28.315 28.738 -0.276 0.000 0.905 287 Q HN 0.473 nan 8.270 nan 0.000 0.420 288 S N 0.708 116.199 115.700 -0.348 0.000 2.355 288 S HA -0.080 4.390 4.470 0.000 0.000 0.222 288 S C 1.969 176.443 174.600 -0.211 0.000 1.031 288 S CA 0.838 58.844 58.200 -0.323 0.000 0.993 288 S CB -0.187 62.796 63.200 -0.363 0.000 0.859 288 S HN 0.290 nan 8.310 nan 0.000 0.453 289 I N 2.280 122.752 120.570 -0.163 0.000 2.264 289 I HA -0.235 3.935 4.170 0.000 0.000 0.248 289 I C 2.147 178.228 176.117 -0.059 0.000 1.111 289 I CA 0.900 62.149 61.300 -0.085 0.000 1.382 289 I CB -0.514 37.469 38.000 -0.029 0.000 1.060 289 I HN 0.287 nan 8.210 nan 0.000 0.418 290 N N 1.350 120.002 118.700 -0.081 0.000 2.051 290 N HA -0.142 4.598 4.740 0.000 0.000 0.192 290 N C 1.763 177.225 175.510 -0.081 0.000 1.049 290 N CA 1.287 54.294 53.050 -0.072 0.000 0.845 290 N CB -0.328 38.116 38.487 -0.071 0.000 1.031 290 N HN 0.330 nan 8.380 nan 0.000 0.425 291 K N 1.017 121.357 120.400 -0.099 0.000 2.160 291 K HA -0.080 4.240 4.320 0.000 0.000 0.206 291 K C 1.999 178.557 176.600 -0.070 0.000 1.047 291 K CA 1.250 57.484 56.287 -0.090 0.000 0.930 291 K CB -0.107 32.328 32.500 -0.109 0.000 0.720 291 K HN 0.168 nan 8.250 nan 0.000 0.450 292 A N 1.393 124.174 122.820 -0.065 0.000 1.897 292 A HA -0.022 4.298 4.320 0.000 0.000 0.215 292 A C 2.382 179.968 177.584 0.003 0.000 1.181 292 A CA 1.510 53.539 52.037 -0.014 0.000 0.620 292 A CB -0.553 18.446 19.000 -0.003 0.000 0.821 292 A HN 0.308 nan 8.150 nan 0.000 0.443 293 A N 0.208 123.015 122.820 -0.023 0.000 1.933 293 A HA -0.184 4.136 4.320 0.000 0.000 0.218 293 A C 1.749 179.243 177.584 -0.150 0.000 1.175 293 A CA 1.889 53.884 52.037 -0.069 0.000 0.628 293 A CB -0.541 18.406 19.000 -0.088 0.000 0.814 293 A HN 0.476 nan 8.150 nan 0.000 0.444 294 D N -0.340 119.979 120.400 -0.136 0.000 2.084 294 D HA -0.131 4.509 4.640 0.000 0.000 0.194 294 D C 1.842 178.081 176.300 -0.102 0.000 0.990 294 D CA 1.271 55.182 54.000 -0.149 0.000 0.826 294 D CB -0.568 40.175 40.800 -0.096 0.000 0.971 294 D HN 0.312 nan 8.370 nan 0.000 0.453 295 L N 1.009 122.197 121.223 -0.059 0.000 2.127 295 L HA -0.113 4.227 4.340 0.000 0.000 0.211 295 L C 2.138 178.996 176.870 -0.020 0.000 1.089 295 L CA 1.222 56.044 54.840 -0.029 0.000 0.757 295 L CB -0.407 41.646 42.059 -0.009 0.000 0.899 295 L HN 0.030 nan 8.230 nan 0.000 0.434 296 I N -0.746 119.811 120.570 -0.021 0.000 2.286 296 I HA -0.234 3.936 4.170 0.000 0.000 0.245 296 I C 1.774 177.873 176.117 -0.029 0.000 1.104 296 I CA 0.830 62.128 61.300 -0.003 0.000 1.397 296 I CB -0.427 37.580 38.000 0.013 0.000 1.072 296 I HN 0.311 nan 8.210 nan 0.000 0.417 297 N N 0.759 119.398 118.700 -0.102 0.000 2.453 297 N HA -0.126 4.614 4.740 0.000 0.000 0.183 297 N C 1.598 177.101 175.510 -0.012 0.000 1.041 297 N CA 0.967 53.951 53.050 -0.109 0.000 0.900 297 N CB 0.005 38.242 38.487 -0.417 0.000 0.961 297 N HN 0.265 nan 8.380 nan 0.000 0.443 298 L N 0.124 121.332 121.223 -0.024 0.000 2.554 298 L HA 0.374 4.714 4.340 0.000 0.000 0.225 298 L C 0.541 177.402 176.870 -0.014 0.000 1.104 298 L CA 0.067 54.904 54.840 -0.006 0.000 0.866 298 L CB -0.298 41.752 42.059 -0.015 0.000 1.047 298 L HN -0.116 nan 8.230 nan 0.000 0.468 299 A N -0.168 122.642 122.820 -0.016 0.000 2.445 299 A HA 0.321 4.641 4.320 0.000 0.000 0.242 299 A C 0.898 178.446 177.584 -0.059 0.000 1.075 299 A CA -0.015 52.000 52.037 -0.036 0.000 0.777 299 A CB 0.261 19.254 19.000 -0.012 0.000 1.013 299 A HN 0.270 nan 8.150 nan 0.000 0.493 300 K N 0.777 121.098 120.400 -0.132 0.000 2.367 300 K HA 0.136 4.456 4.320 0.000 0.000 0.198 300 K C -0.077 176.282 176.600 -0.402 0.000 1.132 300 K CA 0.919 57.096 56.287 -0.184 0.000 0.941 300 K CB 0.324 32.721 32.500 -0.172 0.000 1.052 300 K HN 0.682 nan 8.250 nan 0.000 0.507 301 K N 2.433 122.466 120.400 -0.612 0.000 2.877 301 K HA 0.242 4.562 4.320 0.000 0.000 0.176 301 K C -2.688 173.583 176.600 -0.547 0.000 1.075 301 K CA -1.389 54.028 56.287 -1.449 0.000 0.939 301 K CB 1.761 33.211 32.500 -1.749 0.000 1.237 301 K HN 0.001 nan 8.250 nan 0.000 0.607 302 P HA 0.201 nan 4.420 nan 0.000 0.284 302 P C -0.446 177.119 177.300 0.441 0.000 1.253 302 P CA -0.401 62.824 63.100 0.208 0.000 0.800 302 P CB 1.772 33.568 31.700 0.160 0.000 0.961 303 V N 4.052 124.137 119.914 0.286 0.000 2.638 303 V HA 0.296 4.416 4.120 0.000 0.000 0.306 303 V C 0.237 176.415 176.094 0.140 0.000 1.052 303 V CA -0.727 61.710 62.300 0.229 0.000 0.885 303 V CB 2.168 34.125 31.823 0.224 0.000 0.999 303 V HN 0.425 nan 8.190 nan 0.000 0.424 304 L N 4.767 126.027 121.223 0.062 0.000 2.270 304 L HA 0.392 4.732 4.340 0.000 0.000 0.286 304 L C -0.920 175.969 176.870 0.031 0.000 1.059 304 L CA -0.581 54.268 54.840 0.016 0.000 0.839 304 L CB 0.544 42.554 42.059 -0.080 0.000 1.221 304 L HN 0.746 nan 8.230 nan 0.000 0.431 305 Y N 5.552 125.818 120.300 -0.056 0.000 2.595 305 Y HA 0.411 4.962 4.550 0.000 0.000 0.347 305 Y C -0.580 175.256 175.900 -0.106 0.000 1.025 305 Y CA -0.925 57.120 58.100 -0.091 0.000 1.295 305 Y CB 0.356 38.757 38.460 -0.097 0.000 1.147 305 Y HN 0.170 nan 8.280 nan 0.000 0.515 306 V N 5.891 125.680 119.914 -0.208 0.000 2.539 306 V HA 0.819 4.939 4.120 0.000 0.000 0.292 306 V C 0.643 176.557 176.094 -0.301 0.000 1.045 306 V CA -0.038 62.100 62.300 -0.270 0.000 0.945 306 V CB 1.160 32.896 31.823 -0.145 0.000 0.993 306 V HN 0.918 nan 8.190 nan 0.000 0.464 307 G N 1.329 109.958 108.800 -0.284 0.000 3.140 307 G HA2 0.580 4.540 3.960 0.000 0.000 0.271 307 G HA3 0.580 4.540 3.960 0.000 0.000 0.271 307 G C 0.758 175.584 174.900 -0.123 0.000 1.370 307 G CA -0.008 44.964 45.100 -0.213 0.000 1.014 307 G HN 0.873 nan 8.290 nan 0.000 0.541 308 A N -0.807 121.955 122.820 -0.097 0.000 2.024 308 A HA 0.095 4.415 4.320 0.000 0.000 0.220 308 A C 2.517 180.078 177.584 -0.039 0.000 1.164 308 A CA 2.451 54.448 52.037 -0.067 0.000 0.643 308 A CB -1.011 17.951 19.000 -0.063 0.000 0.806 308 A HN 1.312 nan 8.150 nan 0.000 0.451 309 G N 0.103 108.880 108.800 -0.039 0.000 2.469 309 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 309 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 309 G C 1.390 176.296 174.900 0.011 0.000 1.136 309 G CA 1.230 46.326 45.100 -0.006 0.000 0.759 309 G HN 0.507 nan 8.290 nan 0.000 0.562 310 I N 0.444 121.004 120.570 -0.018 0.000 2.567 310 I HA 0.012 4.182 4.170 0.000 0.000 0.257 310 I C 2.221 178.351 176.117 0.021 0.000 1.184 310 I CA 0.697 61.991 61.300 -0.010 0.000 1.451 310 I CB 0.003 37.979 38.000 -0.040 0.000 1.089 310 I HN 0.129 nan 8.210 nan 0.000 0.441 311 L N -0.533 120.695 121.223 0.009 0.000 2.558 311 L HA 0.052 4.392 4.340 0.000 0.000 0.225 311 L C 1.386 178.366 176.870 0.184 0.000 1.128 311 L CA 0.422 55.276 54.840 0.023 0.000 0.868 311 L CB -0.620 41.378 42.059 -0.102 0.000 1.006 311 L HN 0.208 nan 8.230 nan 0.000 0.454 312 N N -1.085 117.695 118.700 0.133 0.000 2.449 312 N HA -0.055 4.685 4.740 0.000 0.000 0.191 312 N C 0.001 175.600 175.510 0.149 0.000 1.161 312 N CA 0.043 53.169 53.050 0.126 0.000 0.863 312 N CB 0.185 38.720 38.487 0.080 0.000 0.980 312 N HN 0.179 nan 8.380 nan 0.000 0.458 313 H N -0.641 118.476 119.070 0.079 0.000 2.856 313 H HA 0.289 4.845 4.556 0.000 0.000 0.355 313 H C 0.123 175.501 175.328 0.085 0.000 1.079 313 H CA -0.583 55.504 56.048 0.064 0.000 1.240 313 H CB 1.622 31.411 29.762 0.046 0.000 1.701 313 H HN -0.025 nan 8.280 nan 0.000 0.527 314 A N 3.289 126.236 122.820 0.213 0.000 1.986 314 A HA -0.174 4.146 4.320 0.000 0.000 0.220 314 A C 1.290 179.045 177.584 0.285 0.000 1.171 314 A CA 1.950 54.118 52.037 0.218 0.000 0.640 314 A CB -0.036 19.012 19.000 0.080 0.000 0.811 314 A HN 0.718 nan 8.150 nan 0.000 0.451 315 D N -0.881 119.795 120.400 0.459 0.000 2.339 315 D HA 0.108 4.748 4.640 0.000 0.000 0.217 315 D C 1.855 178.174 176.300 0.031 0.000 1.050 315 D CA 0.777 54.867 54.000 0.148 0.000 0.856 315 D CB -0.316 40.509 40.800 0.040 0.000 0.922 315 D HN 0.408 nan 8.370 nan 0.000 0.518 316 G N 2.698 111.538 108.800 0.068 0.000 2.628 316 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 316 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 316 G C -0.689 174.220 174.900 0.015 0.000 1.240 316 G CA 0.689 45.797 45.100 0.012 0.000 0.792 316 G HN 0.261 nan 8.290 nan 0.000 0.593 317 P HA -0.133 nan 4.420 nan 0.000 0.215 317 P C 1.942 179.267 177.300 0.042 0.000 1.157 317 P CA 1.595 64.721 63.100 0.043 0.000 0.874 317 P CB -0.122 31.600 31.700 0.036 0.000 0.790 318 R N -0.055 120.467 120.500 0.036 0.000 2.082 318 R HA -0.126 4.214 4.340 0.000 0.000 0.234 318 R C 2.241 178.554 176.300 0.022 0.000 1.136 318 R CA 1.593 57.710 56.100 0.029 0.000 0.935 318 R CB -1.084 29.235 30.300 0.032 0.000 0.842 318 R HN 0.147 nan 8.270 nan 0.000 0.430 319 L N 0.991 122.214 121.223 0.002 0.000 2.191 319 L HA -0.170 4.170 4.340 0.000 0.000 0.212 319 L C 2.429 179.295 176.870 -0.008 0.000 1.103 319 L CA 0.375 55.205 54.840 -0.017 0.000 0.769 319 L CB -0.308 41.714 42.059 -0.062 0.000 0.908 319 L HN 0.334 nan 8.230 nan 0.000 0.438 320 L N 0.086 121.316 121.223 0.012 0.000 2.072 320 L HA -0.194 4.146 4.340 0.000 0.000 0.205 320 L C 2.472 179.414 176.870 0.120 0.000 1.079 320 L CA 1.794 56.657 54.840 0.040 0.000 0.752 320 L CB -0.605 41.497 42.059 0.072 0.000 0.906 320 L HN 0.093 nan 8.230 nan 0.000 0.436 321 K N -0.416 120.066 120.400 0.137 0.000 2.057 321 K HA -0.248 4.072 4.320 0.000 0.000 0.207 321 K C 2.081 178.752 176.600 0.117 0.000 1.049 321 K CA 1.649 58.032 56.287 0.161 0.000 0.931 321 K CB -0.164 32.368 32.500 0.053 0.000 0.714 321 K HN 0.542 nan 8.250 nan 0.000 0.440 322 E N 0.559 120.801 120.200 0.069 0.000 2.021 322 E HA -0.261 4.089 4.350 0.000 0.000 0.200 322 E C 2.071 178.708 176.600 0.062 0.000 1.015 322 E CA 1.673 58.105 56.400 0.054 0.000 0.824 322 E CB -0.225 29.494 29.700 0.032 0.000 0.762 322 E HN 0.257 nan 8.360 nan 0.000 0.454 323 L N 0.793 122.042 121.223 0.043 0.000 2.043 323 L HA -0.219 4.121 4.340 0.000 0.000 0.212 323 L C 2.439 179.351 176.870 0.069 0.000 1.075 323 L CA 2.515 57.376 54.840 0.035 0.000 0.752 323 L CB -1.026 41.024 42.059 -0.016 0.000 0.891 323 L HN 0.146 nan 8.230 nan 0.000 0.432 324 S N -0.962 114.800 115.700 0.103 0.000 2.356 324 S HA -0.202 4.268 4.470 0.000 0.000 0.223 324 S C 1.718 176.418 174.600 0.167 0.000 1.032 324 S CA 1.566 59.854 58.200 0.147 0.000 1.005 324 S CB -0.450 62.899 63.200 0.248 0.000 0.867 324 S HN 0.641 nan 8.310 nan 0.000 0.449 325 D N 0.791 121.283 120.400 0.155 0.000 2.084 325 D HA -0.075 4.565 4.640 0.000 0.000 0.196 325 D C 2.186 178.548 176.300 0.103 0.000 0.985 325 D CA 0.836 54.914 54.000 0.131 0.000 0.826 325 D CB -0.511 40.350 40.800 0.102 0.000 0.978 325 D HN 0.381 nan 8.370 nan 0.000 0.456 326 R N 0.633 121.185 120.500 0.087 0.000 2.096 326 R HA -0.130 4.210 4.340 0.000 0.000 0.240 326 R C 1.461 177.812 176.300 0.085 0.000 1.139 326 R CA 1.783 57.929 56.100 0.077 0.000 0.952 326 R CB -0.103 30.238 30.300 0.069 0.000 0.854 326 R HN 0.115 nan 8.270 nan 0.000 0.436 327 A N 0.070 122.946 122.820 0.092 0.000 2.423 327 A HA 0.119 4.439 4.320 0.000 0.000 0.246 327 A C -0.264 177.391 177.584 0.119 0.000 1.278 327 A CA -0.304 51.792 52.037 0.098 0.000 0.903 327 A CB 0.500 19.553 19.000 0.088 0.000 0.997 327 A HN 0.391 nan 8.150 nan 0.000 0.510 328 Q N -0.177 119.703 119.800 0.134 0.000 2.437 328 Q HA -0.185 4.155 4.340 0.000 0.000 0.354 328 Q C -0.658 175.535 176.000 0.321 0.000 1.402 328 Q CA 1.076 56.995 55.803 0.194 0.000 1.020 328 Q CB -1.577 27.184 28.738 0.040 0.000 1.220 328 Q HN 0.747 nan 8.270 nan 0.000 0.368 329 I N 0.901 121.636 120.570 0.275 0.000 2.441 329 I HA 0.350 4.520 4.170 0.000 0.000 0.295 329 I C -2.088 174.117 176.117 0.147 0.000 0.994 329 I CA -2.435 59.020 61.300 0.258 0.000 1.144 329 I CB 1.899 39.994 38.000 0.158 0.000 1.314 329 I HN -0.078 nan 8.210 nan 0.000 0.445 330 P HA 0.153 nan 4.420 nan 0.000 0.276 330 P C -0.950 176.223 177.300 -0.211 0.000 1.230 330 P CA -0.179 62.825 63.100 -0.160 0.000 0.776 330 P CB 0.860 32.397 31.700 -0.271 0.000 0.888 331 V N 3.150 122.801 119.914 -0.439 0.000 2.409 331 V HA 0.436 4.556 4.120 0.000 0.000 0.291 331 V C 0.276 176.128 176.094 -0.404 0.000 1.020 331 V CA -0.243 61.708 62.300 -0.582 0.000 0.848 331 V CB 1.592 32.600 31.823 -1.357 0.000 0.990 331 V HN 0.481 nan 8.190 nan 0.000 0.430 332 T N 3.630 118.070 114.554 -0.191 0.000 2.829 332 T HA 0.697 5.047 4.350 0.000 0.000 0.280 332 T C -0.108 174.583 174.700 -0.015 0.000 0.999 332 T CA -0.188 61.867 62.100 -0.076 0.000 0.983 332 T CB 1.305 70.158 68.868 -0.025 0.000 0.968 332 T HN 0.928 nan 8.240 nan 0.000 0.446 333 T N 1.099 115.659 114.554 0.011 0.000 2.932 333 T HA 0.710 5.060 4.350 0.000 0.000 0.289 333 T C 0.607 175.335 174.700 0.046 0.000 1.039 333 T CA -0.714 61.396 62.100 0.017 0.000 1.024 333 T CB 1.255 70.127 68.868 0.006 0.000 1.090 333 T HN 0.747 nan 8.240 nan 0.000 0.496 334 T N 0.092 114.664 114.554 0.030 0.000 2.770 334 T HA 0.308 4.658 4.350 0.000 0.000 0.281 334 T C 1.364 176.067 174.700 0.005 0.000 0.981 334 T CA -0.709 61.414 62.100 0.038 0.000 0.955 334 T CB 0.362 69.240 68.868 0.018 0.000 1.060 334 T HN 0.506 nan 8.240 nan 0.000 0.531 335 L N 0.505 121.733 121.223 0.008 0.000 2.042 335 L HA -0.083 4.257 4.340 0.000 0.000 0.210 335 L C 2.461 179.332 176.870 0.001 0.000 1.076 335 L CA 1.793 56.648 54.840 0.025 0.000 0.749 335 L CB -0.968 41.099 42.059 0.013 0.000 0.893 335 L HN 0.612 nan 8.230 nan 0.000 0.432 336 Q N -0.661 119.107 119.800 -0.054 0.000 2.482 336 Q HA 0.101 4.441 4.340 0.000 0.000 0.209 336 Q C 1.801 177.753 176.000 -0.080 0.000 0.961 336 Q CA 0.880 56.629 55.803 -0.089 0.000 0.945 336 Q CB -0.064 28.613 28.738 -0.102 0.000 1.012 336 Q HN 0.654 nan 8.270 nan 0.000 0.515 337 G N -0.071 108.688 108.800 -0.068 0.000 2.719 337 G HA2 0.116 4.076 3.960 0.000 0.000 0.211 337 G HA3 0.116 4.076 3.960 0.000 0.000 0.211 337 G C 0.635 175.493 174.900 -0.070 0.000 1.140 337 G CA -0.363 44.695 45.100 -0.070 0.000 0.790 337 G HN 0.188 nan 8.290 nan 0.000 0.529 338 L N 1.059 122.213 121.223 -0.115 0.000 2.640 338 L HA 0.250 4.590 4.340 0.000 0.000 0.280 338 L C 1.618 178.370 176.870 -0.197 0.000 1.229 338 L CA 1.261 55.954 54.840 -0.245 0.000 0.919 338 L CB 0.221 41.842 42.059 -0.730 0.000 1.168 338 L HN 0.376 nan 8.230 nan 0.000 0.496 339 G N 1.418 110.215 108.800 -0.005 0.000 2.218 339 G HA2 -0.299 3.662 3.960 0.000 0.000 0.216 339 G HA3 -0.299 3.662 3.960 0.000 0.000 0.216 339 G C 0.889 175.818 174.900 0.048 0.000 0.994 339 G CA 0.362 45.507 45.100 0.075 0.000 0.637 339 G HN 0.706 nan 8.290 nan 0.000 0.505 340 S N -1.176 114.548 115.700 0.040 0.000 2.478 340 S HA 0.558 5.028 4.470 0.000 0.000 0.222 340 S C 0.476 175.168 174.600 0.153 0.000 1.008 340 S CA 0.598 58.824 58.200 0.044 0.000 0.928 340 S CB 0.253 63.462 63.200 0.015 0.000 0.781 340 S HN 0.972 nan 8.310 nan 0.000 0.518 341 F N 2.368 122.330 119.950 0.021 0.000 2.540 341 F HA 0.488 5.016 4.527 0.000 0.000 0.317 341 F C -0.767 175.076 175.800 0.072 0.000 1.104 341 F CA -1.453 56.569 58.000 0.036 0.000 0.913 341 F CB 1.625 40.640 39.000 0.025 0.000 1.170 341 F HN -0.088 nan 8.300 nan 0.000 0.450 342 D N 4.321 124.417 120.400 -0.507 0.000 2.371 342 D HA 0.049 4.689 4.640 0.000 0.000 0.256 342 D C 0.368 176.567 176.300 -0.169 0.000 1.193 342 D CA 0.365 54.205 54.000 -0.267 0.000 0.881 342 D CB 1.257 41.878 40.800 -0.299 0.000 1.143 342 D HN 0.722 nan 8.370 nan 0.000 0.473 343 Q N 2.341 122.184 119.800 0.071 0.000 2.482 343 Q HA -0.042 4.298 4.340 0.000 0.000 0.209 343 Q C 0.751 176.788 176.000 0.062 0.000 0.961 343 Q CA 0.387 56.277 55.803 0.145 0.000 0.945 343 Q CB 0.587 29.438 28.738 0.187 0.000 1.012 343 Q HN 0.505 nan 8.270 nan 0.000 0.515 344 E N 0.730 120.926 120.200 -0.006 0.000 2.250 344 E HA -0.039 4.311 4.350 0.000 0.000 0.192 344 E C 0.343 176.934 176.600 -0.015 0.000 0.986 344 E CA 0.231 56.621 56.400 -0.017 0.000 0.849 344 E CB 0.138 29.816 29.700 -0.036 0.000 0.797 344 E HN 0.294 nan 8.360 nan 0.000 0.482 345 D N 2.245 122.614 120.400 -0.051 0.000 2.458 345 D HA -0.030 4.610 4.640 0.000 0.000 0.243 345 D C -1.451 174.899 176.300 0.083 0.000 1.146 345 D CA -1.407 52.584 54.000 -0.014 0.000 0.877 345 D CB 1.480 42.204 40.800 -0.127 0.000 1.176 345 D HN -0.091 nan 8.370 nan 0.000 0.461 346 P HA -0.105 nan 4.420 nan 0.000 0.231 346 P C 0.481 177.789 177.300 0.014 0.000 1.158 346 P CA 0.809 63.938 63.100 0.049 0.000 0.763 346 P CB 0.283 32.021 31.700 0.064 0.000 0.805 347 K N -0.285 120.181 120.400 0.110 0.000 2.404 347 K HA 0.109 4.429 4.320 0.000 0.000 0.194 347 K C 0.873 177.491 176.600 0.031 0.000 1.023 347 K CA -0.055 56.246 56.287 0.024 0.000 1.094 347 K CB 0.163 32.784 32.500 0.202 0.000 0.841 347 K HN -0.008 nan 8.250 nan 0.000 0.523 348 S N 1.104 116.931 115.700 0.212 0.000 2.474 348 S HA 0.184 4.654 4.470 0.000 0.000 0.276 348 S C 0.914 175.510 174.600 -0.007 0.000 1.227 348 S CA -0.512 57.807 58.200 0.198 0.000 1.050 348 S CB 0.445 63.879 63.200 0.390 0.000 0.939 348 S HN 0.215 nan 8.310 nan 0.000 0.490 349 L N 3.846 125.017 121.223 -0.087 0.000 2.529 349 L HA 0.219 4.559 4.340 0.000 0.000 0.223 349 L C 1.223 178.061 176.870 -0.053 0.000 1.113 349 L CA 0.325 55.104 54.840 -0.102 0.000 0.861 349 L CB -0.435 41.543 42.059 -0.134 0.000 1.012 349 L HN 0.850 nan 8.230 nan 0.000 0.461 350 D N -0.535 119.874 120.400 0.015 0.000 3.898 350 D HA -0.240 4.400 4.640 0.000 0.000 0.206 350 D C -0.390 175.955 176.300 0.074 0.000 1.354 350 D CA 0.600 54.650 54.000 0.083 0.000 1.097 350 D CB -0.456 40.379 40.800 0.060 0.000 0.661 350 D HN -0.032 nan 8.370 nan 0.000 0.794 351 M N 1.738 121.409 119.600 0.118 0.000 2.277 351 M HA 0.519 4.999 4.480 0.000 0.000 0.350 351 M C 0.066 176.400 176.300 0.056 0.000 1.180 351 M CA -0.591 54.766 55.300 0.094 0.000 1.103 351 M CB 0.945 33.618 32.600 0.122 0.000 1.577 351 M HN 0.405 nan 8.290 nan 0.000 0.459 352 L N 2.445 123.685 121.223 0.028 0.000 2.347 352 L HA 1.120 5.460 4.340 0.000 0.000 0.268 352 L C -0.015 176.852 176.870 -0.005 0.000 1.019 352 L CA -0.224 54.608 54.840 -0.014 0.000 0.806 352 L CB 1.341 43.374 42.059 -0.043 0.000 1.339 352 L HN 0.853 nan 8.230 nan 0.000 0.463 353 G N 0.058 108.840 108.800 -0.030 0.000 2.422 353 G HA2 -0.176 3.784 3.960 0.000 0.000 0.607 353 G HA3 -0.176 3.784 3.960 0.000 0.000 0.607 353 G C 0.027 174.911 174.900 -0.025 0.000 1.270 353 G CA -0.059 45.026 45.100 -0.026 0.000 0.992 353 G HN 1.257 nan 8.290 nan 0.000 0.499 354 M N -1.479 118.096 119.600 -0.041 0.000 2.213 354 M HA 0.098 4.578 4.480 0.000 0.000 0.263 354 M C 1.247 177.409 176.300 -0.230 0.000 1.062 354 M CA 2.267 57.495 55.300 -0.120 0.000 1.105 354 M CB -0.118 32.398 32.600 -0.141 0.000 1.385 354 M HN 0.470 nan 8.290 nan 0.000 0.417 355 H N 0.514 119.600 119.070 0.026 0.000 2.512 355 H HA 0.465 5.021 4.556 0.000 0.000 0.276 355 H C 0.395 175.745 175.328 0.036 0.000 1.126 355 H CA 0.106 56.166 56.048 0.020 0.000 1.060 355 H CB 0.142 29.888 29.762 -0.027 0.000 1.646 355 H HN 0.483 nan 8.280 nan 0.000 0.571 356 G N 0.076 108.943 108.800 0.112 0.000 2.528 356 G HA2 0.179 4.139 3.960 0.000 0.000 0.289 356 G HA3 0.179 4.139 3.960 0.000 0.000 0.289 356 G C -0.119 174.851 174.900 0.117 0.000 1.192 356 G CA -0.432 44.742 45.100 0.123 0.000 0.921 356 G HN 0.392 nan 8.290 nan 0.000 0.512 357 C N 0.916 120.284 119.300 0.114 0.000 2.596 357 C HA 0.371 4.831 4.460 0.000 0.000 0.414 357 C C 2.175 176.978 174.990 -0.312 0.000 1.396 357 C CA 0.225 59.126 59.018 -0.195 0.000 1.698 357 C CB -0.518 27.021 27.740 -0.335 0.000 2.572 357 C HN 0.917 nan 8.230 nan 0.000 0.604 358 A N 4.813 127.349 122.820 -0.473 0.000 1.908 358 A HA -0.124 4.196 4.320 0.000 0.000 0.218 358 A C 2.179 179.419 177.584 -0.574 0.000 1.181 358 A CA 2.646 54.205 52.037 -0.797 0.000 0.627 358 A CB -1.162 17.226 19.000 -1.019 0.000 0.818 358 A HN 0.971 nan 8.150 nan 0.000 0.445 359 T N 0.401 114.746 114.554 -0.349 0.000 2.684 359 T HA -0.080 4.270 4.350 0.000 0.000 0.267 359 T C 2.226 176.769 174.700 -0.263 0.000 1.036 359 T CA 1.773 63.737 62.100 -0.226 0.000 1.148 359 T CB -0.545 68.301 68.868 -0.038 0.000 0.863 359 T HN 0.640 nan 8.240 nan 0.000 0.436 360 A N 2.492 125.181 122.820 -0.219 0.000 1.883 360 A HA -0.193 4.127 4.320 0.000 0.000 0.217 360 A C 2.297 179.772 177.584 -0.182 0.000 1.186 360 A CA 1.649 53.588 52.037 -0.164 0.000 0.624 360 A CB -0.666 18.266 19.000 -0.112 0.000 0.822 360 A HN 0.403 nan 8.150 nan 0.000 0.444 361 N N 0.071 118.632 118.700 -0.231 0.000 2.120 361 N HA -0.081 4.659 4.740 0.000 0.000 0.188 361 N C 1.726 177.090 175.510 -0.244 0.000 1.024 361 N CA 1.375 54.311 53.050 -0.189 0.000 0.852 361 N CB -0.493 37.893 38.487 -0.169 0.000 1.003 361 N HN 0.512 nan 8.380 nan 0.000 0.424 362 L N 0.841 121.788 121.223 -0.460 0.000 2.017 362 L HA -0.128 4.212 4.340 0.000 0.000 0.208 362 L C 2.493 179.085 176.870 -0.462 0.000 1.073 362 L CA 1.195 55.607 54.840 -0.713 0.000 0.745 362 L CB -0.559 40.484 42.059 -1.694 0.000 0.894 362 L HN 0.104 nan 8.230 nan 0.000 0.432 363 A N -0.208 122.432 122.820 -0.300 0.000 1.883 363 A HA -0.179 4.141 4.320 0.000 0.000 0.217 363 A C 2.332 180.034 177.584 0.197 0.000 1.186 363 A CA 2.041 54.161 52.037 0.139 0.000 0.624 363 A CB -0.930 18.069 19.000 -0.002 0.000 0.822 363 A HN 0.206 nan 8.150 nan 0.000 0.444 364 V N 0.031 119.956 119.914 0.018 0.000 2.295 364 V HA -0.268 3.852 4.120 0.000 0.000 0.246 364 V C 2.646 178.685 176.094 -0.091 0.000 1.049 364 V CA 2.052 64.336 62.300 -0.026 0.000 1.024 364 V CB -0.779 30.999 31.823 -0.076 0.000 0.648 364 V HN 0.557 nan 8.190 nan 0.000 0.447 365 Q N -0.073 119.669 119.800 -0.097 0.000 2.291 365 Q HA -0.072 4.268 4.340 0.000 0.000 0.205 365 Q C 1.745 177.732 176.000 -0.021 0.000 0.970 365 Q CA 0.945 56.682 55.803 -0.110 0.000 0.876 365 Q CB -0.329 28.353 28.738 -0.093 0.000 0.935 365 Q HN 0.676 nan 8.270 nan 0.000 0.455 366 N N -0.196 118.572 118.700 0.112 0.000 2.282 366 N HA 0.112 4.852 4.740 0.000 0.000 0.185 366 N C 0.122 175.705 175.510 0.122 0.000 1.099 366 N CA 0.154 53.321 53.050 0.195 0.000 0.878 366 N CB 0.522 39.283 38.487 0.456 0.000 0.993 366 N HN 0.031 nan 8.380 nan 0.000 0.481 367 A N 1.711 124.622 122.820 0.151 0.000 2.483 367 A HA 0.055 4.375 4.320 0.000 0.000 0.238 367 A C 1.069 178.613 177.584 -0.068 0.000 1.070 367 A CA -0.043 52.019 52.037 0.043 0.000 0.770 367 A CB 0.313 19.418 19.000 0.174 0.000 1.008 367 A HN 0.252 nan 8.150 nan 0.000 0.497 368 D N 0.521 120.839 120.400 -0.136 0.000 2.327 368 D HA 0.103 4.743 4.640 0.000 0.000 0.205 368 D C 0.095 176.364 176.300 -0.052 0.000 0.989 368 D CA 0.312 54.249 54.000 -0.104 0.000 0.873 368 D CB 0.031 40.746 40.800 -0.141 0.000 0.955 368 D HN 0.287 nan 8.370 nan 0.000 0.515 369 L N 0.450 121.658 121.223 -0.024 0.000 2.464 369 L HA 0.481 4.821 4.340 0.000 0.000 0.266 369 L C -1.773 175.147 176.870 0.082 0.000 0.965 369 L CA -0.772 54.085 54.840 0.029 0.000 0.833 369 L CB 2.329 44.406 42.059 0.029 0.000 1.296 369 L HN -0.114 nan 8.230 nan 0.000 0.405 370 I N 5.947 126.585 120.570 0.114 0.000 2.410 370 I HA 0.381 4.551 4.170 0.000 0.000 0.286 370 I C -0.907 175.343 176.117 0.222 0.000 1.009 370 I CA -0.563 60.838 61.300 0.169 0.000 1.111 370 I CB 1.746 39.854 38.000 0.180 0.000 1.262 370 I HN 0.435 nan 8.210 nan 0.000 0.443 371 I N 6.261 126.956 120.570 0.208 0.000 2.291 371 I HA 0.336 4.506 4.170 0.000 0.000 0.290 371 I C 0.621 176.869 176.117 0.218 0.000 1.050 371 I CA 0.036 61.472 61.300 0.227 0.000 1.245 371 I CB 1.207 39.292 38.000 0.141 0.000 1.405 371 I HN 0.553 nan 8.210 nan 0.000 0.478 372 A N 6.693 129.703 122.820 0.318 0.000 2.302 372 A HA 0.683 5.003 4.320 0.000 0.000 0.295 372 A C -0.284 177.435 177.584 0.224 0.000 1.235 372 A CA -0.378 51.770 52.037 0.186 0.000 0.876 372 A CB 0.222 19.375 19.000 0.255 0.000 1.133 372 A HN 0.444 nan 8.150 nan 0.000 0.533 373 V N 2.464 122.351 119.914 -0.044 0.000 2.349 373 V HA 0.598 4.718 4.120 0.000 0.000 0.284 373 V C 0.999 177.044 176.094 -0.082 0.000 1.014 373 V CA 0.286 62.569 62.300 -0.029 0.000 0.826 373 V CB 0.607 32.318 31.823 -0.187 0.000 1.009 373 V HN 1.807 nan 8.190 nan 0.000 0.431 374 G N 3.762 112.577 108.800 0.025 0.000 2.272 374 G HA2 0.100 4.060 3.960 0.000 0.000 0.280 374 G HA3 0.100 4.060 3.960 0.000 0.000 0.280 374 G C 0.082 174.923 174.900 -0.099 0.000 1.067 374 G CA 0.379 45.470 45.100 -0.016 0.000 0.902 374 G HN 1.617 nan 8.290 nan 0.000 0.500 375 A N -0.409 122.342 122.820 -0.116 0.000 2.449 375 A HA 0.877 5.197 4.320 0.000 0.000 0.302 375 A C 0.716 178.310 177.584 0.016 0.000 1.048 375 A CA -0.035 51.832 52.037 -0.284 0.000 0.708 375 A CB 0.937 19.301 19.000 -1.059 0.000 1.274 375 A HN 1.095 nan 8.150 nan 0.000 0.410 376 R N 0.956 121.500 120.500 0.074 0.000 2.507 376 R HA 0.374 4.714 4.340 0.000 0.000 0.298 376 R C -1.071 175.458 176.300 0.381 0.000 0.999 376 R CA -0.150 56.113 56.100 0.272 0.000 1.082 376 R CB -0.534 29.852 30.300 0.144 0.000 1.246 376 R HN 0.602 nan 8.270 nan 0.000 0.553 377 F N 2.917 122.925 119.950 0.097 0.000 2.943 377 F HA -0.270 4.257 4.527 0.000 0.000 0.258 377 F C 0.152 175.895 175.800 -0.096 0.000 0.995 377 F CA 1.076 59.059 58.000 -0.030 0.000 0.896 377 F CB -1.840 37.086 39.000 -0.123 0.000 0.821 377 F HN 0.465 nan 8.300 nan 0.000 0.828 378 D N 0.852 121.282 120.400 0.050 0.000 2.377 378 D HA 0.036 4.676 4.640 0.000 0.000 0.245 378 D C 1.212 177.483 176.300 -0.048 0.000 1.196 378 D CA 0.236 54.237 54.000 0.003 0.000 0.962 378 D CB 0.758 41.552 40.800 -0.010 0.000 1.127 378 D HN 0.451 nan 8.370 nan 0.000 0.471 379 D N 0.468 120.841 120.400 -0.045 0.000 2.218 379 D HA -0.204 4.436 4.640 0.000 0.000 0.204 379 D C 1.261 177.529 176.300 -0.052 0.000 0.976 379 D CA 0.469 54.437 54.000 -0.054 0.000 0.853 379 D CB -0.077 40.700 40.800 -0.038 0.000 0.939 379 D HN 0.198 nan 8.370 nan 0.000 0.481 380 R N 0.476 120.949 120.500 -0.045 0.000 2.316 380 R HA 0.086 4.426 4.340 0.000 0.000 0.202 380 R C 1.921 178.195 176.300 -0.044 0.000 1.029 380 R CA 0.095 56.176 56.100 -0.032 0.000 1.018 380 R CB -0.135 30.151 30.300 -0.023 0.000 0.888 380 R HN 0.292 nan 8.270 nan 0.000 0.471 381 V N -0.592 119.273 119.914 -0.082 0.000 2.854 381 V HA -0.069 4.051 4.120 0.000 0.000 0.236 381 V C 2.188 178.158 176.094 -0.207 0.000 1.157 381 V CA 1.544 63.768 62.300 -0.127 0.000 1.187 381 V CB -0.108 31.628 31.823 -0.146 0.000 0.949 381 V HN 0.299 nan 8.190 nan 0.000 0.488 382 T N -1.456 112.909 114.554 -0.316 0.000 2.962 382 T HA 0.230 4.580 4.350 0.000 0.000 0.270 382 T C 1.364 175.968 174.700 -0.161 0.000 1.088 382 T CA 1.172 62.958 62.100 -0.524 0.000 1.127 382 T CB -0.313 68.164 68.868 -0.652 0.000 0.883 382 T HN 1.135 nan 8.240 nan 0.000 0.493 383 G N 2.111 110.865 108.800 -0.076 0.000 2.552 383 G HA2 -0.300 3.660 3.960 0.000 0.000 0.265 383 G HA3 -0.300 3.660 3.960 0.000 0.000 0.265 383 G C -0.276 174.630 174.900 0.011 0.000 1.234 383 G CA -0.125 44.976 45.100 0.002 0.000 0.944 383 G HN 0.746 nan 8.290 nan 0.000 0.568 384 N N 1.468 120.194 118.700 0.044 0.000 2.416 384 N HA 0.146 4.886 4.740 0.000 0.000 0.271 384 N C 2.038 177.589 175.510 0.068 0.000 1.245 384 N CA 0.490 53.567 53.050 0.044 0.000 0.940 384 N CB -0.017 38.496 38.487 0.044 0.000 1.175 384 N HN 0.481 nan 8.380 nan 0.000 0.483 385 I N 1.938 122.531 120.570 0.039 0.000 2.236 385 I HA -0.391 3.779 4.170 0.000 0.000 0.249 385 I C 2.059 178.241 176.117 0.109 0.000 1.102 385 I CA 1.382 62.716 61.300 0.056 0.000 1.365 385 I CB -0.379 37.626 38.000 0.008 0.000 1.051 385 I HN 0.554 nan 8.210 nan 0.000 0.420 386 S N 0.259 116.003 115.700 0.073 0.000 2.481 386 S HA -0.059 4.411 4.470 0.000 0.000 0.231 386 S C 1.586 176.228 174.600 0.070 0.000 0.996 386 S CA 0.457 58.694 58.200 0.063 0.000 0.942 386 S CB -0.203 63.019 63.200 0.037 0.000 0.768 386 S HN 0.492 nan 8.310 nan 0.000 0.520 387 K N 0.061 120.514 120.400 0.089 0.000 2.373 387 K HA 0.303 4.623 4.320 0.000 0.000 0.202 387 K C -0.361 176.300 176.600 0.103 0.000 1.025 387 K CA -0.443 55.886 56.287 0.070 0.000 1.115 387 K CB 0.202 32.731 32.500 0.049 0.000 0.858 387 K HN 0.390 nan 8.250 nan 0.000 0.525 388 F N 2.332 122.280 119.950 -0.004 0.000 2.429 388 F HA 0.283 4.810 4.527 0.000 0.000 0.348 388 F C 0.587 176.389 175.800 0.004 0.000 1.109 388 F CA -0.683 57.315 58.000 -0.004 0.000 1.232 388 F CB 0.580 39.585 39.000 0.008 0.000 1.157 388 F HN 0.230 nan 8.300 nan 0.000 0.564 389 A N 5.643 127.829 122.820 -1.055 0.000 2.312 389 A HA -0.191 4.129 4.320 0.000 0.000 0.286 389 A C -1.978 175.423 177.584 -0.305 0.000 1.425 389 A CA 0.520 52.092 52.037 -0.775 0.000 0.748 389 A CB -1.951 16.482 19.000 -0.946 0.000 1.126 389 A HN 0.651 nan 8.150 nan 0.000 0.368 390 P HA -0.131 nan 4.420 nan 0.000 0.215 390 P C 1.343 178.598 177.300 -0.074 0.000 1.157 390 P CA 1.279 64.324 63.100 -0.091 0.000 0.859 390 P CB 0.135 31.800 31.700 -0.058 0.000 0.786 391 E N -0.167 119.989 120.200 -0.073 0.000 2.150 391 E HA -0.070 4.281 4.350 0.000 0.000 0.193 391 E C 2.106 178.667 176.600 -0.065 0.000 0.985 391 E CA 1.143 57.510 56.400 -0.056 0.000 0.814 391 E CB -0.745 28.930 29.700 -0.042 0.000 0.752 391 E HN 0.171 nan 8.360 nan 0.000 0.466 392 A N 1.297 124.065 122.820 -0.087 0.000 1.969 392 A HA -0.171 4.149 4.320 0.000 0.000 0.218 392 A C 2.164 179.719 177.584 -0.048 0.000 1.169 392 A CA 1.109 53.105 52.037 -0.068 0.000 0.635 392 A CB -0.309 18.638 19.000 -0.088 0.000 0.810 392 A HN 0.101 nan 8.150 nan 0.000 0.445 393 R N -0.660 119.807 120.500 -0.055 0.000 2.070 393 R HA -0.084 4.256 4.340 0.000 0.000 0.232 393 R C 2.499 178.784 176.300 -0.025 0.000 1.138 393 R CA 1.598 57.678 56.100 -0.032 0.000 0.936 393 R CB -0.358 29.924 30.300 -0.029 0.000 0.839 393 R HN 0.464 nan 8.270 nan 0.000 0.429 394 R N 0.394 120.877 120.500 -0.029 0.000 2.096 394 R HA -0.148 4.192 4.340 0.000 0.000 0.240 394 R C 2.363 178.647 176.300 -0.025 0.000 1.139 394 R CA 1.591 57.676 56.100 -0.024 0.000 0.952 394 R CB -0.530 29.754 30.300 -0.026 0.000 0.854 394 R HN 0.251 nan 8.270 nan 0.000 0.436 395 A N 0.966 123.767 122.820 -0.033 0.000 1.978 395 A HA -0.147 4.173 4.320 0.000 0.000 0.220 395 A C 2.290 179.861 177.584 -0.022 0.000 1.170 395 A CA 1.809 53.827 52.037 -0.033 0.000 0.636 395 A CB -0.492 18.483 19.000 -0.042 0.000 0.810 395 A HN 0.449 nan 8.150 nan 0.000 0.448 396 A N -0.582 122.228 122.820 -0.017 0.000 1.930 396 A HA 0.356 4.676 4.320 0.000 0.000 0.215 396 A C 2.418 179.997 177.584 -0.009 0.000 1.176 396 A CA 1.498 53.529 52.037 -0.010 0.000 0.632 396 A CB -0.762 18.235 19.000 -0.005 0.000 0.819 396 A HN 0.955 nan 8.150 nan 0.000 0.445 397 A N 0.149 122.962 122.820 -0.011 0.000 1.968 397 A HA -0.063 4.257 4.320 0.000 0.000 0.217 397 A C 1.542 179.120 177.584 -0.010 0.000 1.169 397 A CA 1.274 53.306 52.037 -0.009 0.000 0.638 397 A CB -0.321 18.673 19.000 -0.009 0.000 0.812 397 A HN 0.589 nan 8.150 nan 0.000 0.446 398 E N -0.442 119.750 120.200 -0.013 0.000 2.394 398 E HA 0.307 4.657 4.350 0.000 0.000 0.191 398 E C 0.750 177.342 176.600 -0.013 0.000 1.044 398 E CA 0.020 56.412 56.400 -0.013 0.000 0.939 398 E CB -0.251 29.439 29.700 -0.016 0.000 1.089 398 E HN 0.587 nan 8.360 nan 0.000 0.456 399 G N 3.269 112.062 108.800 -0.012 0.000 2.422 399 G HA2 -0.355 3.605 3.960 0.000 0.000 0.301 399 G HA3 -0.355 3.605 3.960 0.000 0.000 0.301 399 G C 0.630 175.522 174.900 -0.014 0.000 0.981 399 G CA 1.122 46.215 45.100 -0.012 0.000 0.994 399 G HN 0.496 nan 8.290 nan 0.000 0.514 400 R N -1.196 119.294 120.500 -0.017 0.000 2.659 400 R HA 0.572 4.912 4.340 0.000 0.000 0.418 400 R C 0.829 177.114 176.300 -0.024 0.000 1.076 400 R CA 0.226 56.314 56.100 -0.021 0.000 1.093 400 R CB 0.451 30.735 30.300 -0.026 0.000 1.400 400 R HN 1.267 nan 8.270 nan 0.000 0.583 401 G N -0.964 107.826 108.800 -0.017 0.000 2.441 401 G HA2 0.375 4.335 3.960 0.000 0.000 0.222 401 G HA3 0.375 4.335 3.960 0.000 0.000 0.222 401 G C -0.185 174.714 174.900 -0.000 0.000 1.254 401 G CA -0.140 44.953 45.100 -0.011 0.000 0.959 401 G HN 0.631 nan 8.290 nan 0.000 0.474 402 G N -1.004 107.800 108.800 0.006 0.000 2.254 402 G HA2 0.311 4.271 3.960 0.000 0.000 0.193 402 G HA3 0.311 4.271 3.960 0.000 0.000 0.193 402 G C -1.080 173.851 174.900 0.052 0.000 1.233 402 G CA -0.017 45.093 45.100 0.017 0.000 1.290 402 G HN 1.407 nan 8.290 nan 0.000 0.517 403 I N 1.489 122.104 120.570 0.076 0.000 2.478 403 I HA 0.514 4.684 4.170 0.000 0.000 0.287 403 I C -0.484 175.726 176.117 0.154 0.000 1.042 403 I CA -0.623 60.761 61.300 0.140 0.000 1.067 403 I CB 1.833 39.923 38.000 0.149 0.000 1.233 403 I HN 0.345 nan 8.210 nan 0.000 0.431 404 I N 5.308 126.005 120.570 0.212 0.000 2.377 404 I HA 0.346 4.516 4.170 0.000 0.000 0.293 404 I C -0.343 175.992 176.117 0.364 0.000 0.987 404 I CA -0.509 60.922 61.300 0.218 0.000 1.185 404 I CB 1.583 39.725 38.000 0.235 0.000 1.341 404 I HN 0.571 nan 8.210 nan 0.000 0.455 405 H N 6.270 125.433 119.070 0.155 0.000 2.800 405 H HA 0.374 4.930 4.556 0.000 0.000 0.322 405 H C -1.402 173.994 175.328 0.113 0.000 0.979 405 H CA -0.814 55.374 56.048 0.235 0.000 1.277 405 H CB 1.042 30.931 29.762 0.211 0.000 1.484 405 H HN 0.395 nan 8.280 nan 0.000 0.512 406 F N 3.849 123.928 119.950 0.214 0.000 2.423 406 F HA 0.141 4.668 4.527 0.000 0.000 0.356 406 F C 0.311 176.060 175.800 -0.084 0.000 1.170 406 F CA -0.346 57.676 58.000 0.035 0.000 1.163 406 F CB 0.599 39.628 39.000 0.047 0.000 1.318 406 F HN 0.551 nan 8.300 nan 0.000 0.569 407 E N 2.064 122.163 120.200 -0.167 0.000 2.222 407 E HA 0.341 4.691 4.350 0.000 0.000 0.267 407 E C -0.092 176.448 176.600 -0.100 0.000 0.884 407 E CA -0.485 55.775 56.400 -0.233 0.000 0.764 407 E CB 2.006 31.351 29.700 -0.592 0.000 1.169 407 E HN 0.263 nan 8.360 nan 0.000 0.413 408 V N 3.058 122.945 119.914 -0.043 0.000 2.649 408 V HA 0.122 4.242 4.120 0.000 0.000 0.248 408 V C 0.539 176.613 176.094 -0.034 0.000 1.054 408 V CA 1.528 63.816 62.300 -0.019 0.000 1.073 408 V CB 0.257 32.082 31.823 0.003 0.000 0.699 408 V HN 0.575 nan 8.190 nan 0.000 0.463 409 S N 1.006 116.680 115.700 -0.044 0.000 2.420 409 S HA 0.391 4.861 4.470 0.000 0.000 0.313 409 S C -1.087 173.484 174.600 -0.048 0.000 1.079 409 S CA -1.285 56.891 58.200 -0.040 0.000 1.104 409 S CB 1.530 64.708 63.200 -0.036 0.000 0.969 409 S HN 0.400 nan 8.310 nan 0.000 0.471 410 P HA -0.111 nan 4.420 nan 0.000 0.219 410 P C 0.685 177.967 177.300 -0.031 0.000 1.146 410 P CA 0.936 64.008 63.100 -0.047 0.000 0.808 410 P CB 0.196 31.865 31.700 -0.050 0.000 0.779 411 K N -0.039 120.348 120.400 -0.022 0.000 2.209 411 K HA -0.061 4.259 4.320 0.000 0.000 0.204 411 K C 1.738 178.340 176.600 0.004 0.000 1.048 411 K CA 1.002 57.284 56.287 -0.008 0.000 0.940 411 K CB -0.682 31.816 32.500 -0.004 0.000 0.729 411 K HN 0.135 nan 8.250 nan 0.000 0.451 412 N N 0.132 118.838 118.700 0.009 0.000 2.336 412 N HA 0.090 4.830 4.740 0.000 0.000 0.189 412 N C -0.317 175.250 175.510 0.096 0.000 1.113 412 N CA 0.193 53.278 53.050 0.057 0.000 0.858 412 N CB 0.380 38.916 38.487 0.082 0.000 0.970 412 N HN 0.167 nan 8.380 nan 0.000 0.471 413 I N 1.486 122.074 120.570 0.030 0.000 2.371 413 I HA 0.059 4.230 4.170 0.000 0.000 0.290 413 I C 0.269 176.407 176.117 0.035 0.000 1.028 413 I CA -0.269 61.059 61.300 0.046 0.000 1.345 413 I CB 0.478 38.464 38.000 -0.023 0.000 1.407 413 I HN 0.018 nan 8.210 nan 0.000 0.501 414 N N 4.114 122.832 118.700 0.031 0.000 2.741 414 N HA -0.214 4.526 4.740 0.000 0.000 0.250 414 N C 1.063 176.553 175.510 -0.033 0.000 1.115 414 N CA 1.016 54.050 53.050 -0.027 0.000 0.724 414 N CB -0.698 37.783 38.487 -0.009 0.000 1.090 414 N HN 0.697 nan 8.380 nan 0.000 0.558 415 K N 0.407 120.792 120.400 -0.024 0.000 2.098 415 K HA 0.073 4.393 4.320 0.000 0.000 0.203 415 K C 1.621 178.199 176.600 -0.037 0.000 1.051 415 K CA 1.276 57.553 56.287 -0.015 0.000 0.957 415 K CB 0.350 32.858 32.500 0.013 0.000 0.738 415 K HN 0.069 nan 8.250 nan 0.000 0.447 416 V N 0.073 119.940 119.914 -0.078 0.000 2.490 416 V HA 0.083 4.203 4.120 0.000 0.000 0.238 416 V C 0.736 176.755 176.094 -0.125 0.000 1.056 416 V CA 0.419 62.664 62.300 -0.092 0.000 1.075 416 V CB 1.215 32.988 31.823 -0.083 0.000 0.746 416 V HN 0.135 nan 8.190 nan 0.000 0.479 417 V N 0.320 120.093 119.914 -0.234 0.000 2.735 417 V HA 0.559 4.679 4.120 0.000 0.000 0.310 417 V C -0.740 175.253 176.094 -0.168 0.000 1.061 417 V CA -0.777 61.420 62.300 -0.172 0.000 0.913 417 V CB 1.988 33.721 31.823 -0.149 0.000 1.005 417 V HN 0.512 nan 8.190 nan 0.000 0.428 418 Q N 3.421 123.175 119.800 -0.076 0.000 2.271 418 Q HA 0.307 4.647 4.340 0.000 0.000 0.273 418 Q C -0.141 175.834 176.000 -0.042 0.000 1.051 418 Q CA 0.986 56.760 55.803 -0.049 0.000 0.901 418 Q CB 0.846 29.572 28.738 -0.019 0.000 1.174 418 Q HN 0.956 nan 8.270 nan 0.000 0.385 419 T N 2.893 117.430 114.554 -0.028 0.000 2.943 419 T HA 0.278 4.628 4.350 0.000 0.000 0.284 419 T C 0.430 175.146 174.700 0.026 0.000 1.015 419 T CA -0.548 61.557 62.100 0.010 0.000 1.042 419 T CB 1.195 70.094 68.868 0.052 0.000 1.055 419 T HN 0.670 nan 8.240 nan 0.000 0.500 420 Q N 1.733 121.554 119.800 0.035 0.000 2.134 420 Q HA 0.440 4.780 4.340 0.000 0.000 0.195 420 Q C -0.008 176.000 176.000 0.014 0.000 0.958 420 Q CA 1.166 56.982 55.803 0.022 0.000 0.840 420 Q CB 0.207 28.957 28.738 0.019 0.000 0.918 420 Q HN 0.662 nan 8.270 nan 0.000 0.467 421 I N 0.060 120.641 120.570 0.017 0.000 2.545 421 I HA 0.620 4.790 4.170 0.000 0.000 0.292 421 I C -1.154 174.951 176.117 -0.021 0.000 1.040 421 I CA -1.256 60.029 61.300 -0.025 0.000 1.068 421 I CB 2.190 40.158 38.000 -0.054 0.000 1.251 421 I HN -0.107 nan 8.210 nan 0.000 0.424 422 A N 6.047 128.838 122.820 -0.049 0.000 2.340 422 A HA 0.658 4.978 4.320 0.000 0.000 0.297 422 A C -0.782 176.714 177.584 -0.147 0.000 1.195 422 A CA -0.458 51.545 52.037 -0.057 0.000 0.769 422 A CB 1.014 20.030 19.000 0.028 0.000 1.163 422 A HN 0.429 nan 8.150 nan 0.000 0.472 423 V N 3.931 123.636 119.914 -0.349 0.000 2.304 423 V HA 0.149 4.269 4.120 0.000 0.000 0.262 423 V C 0.436 176.388 176.094 -0.237 0.000 1.061 423 V CA -0.267 61.781 62.300 -0.420 0.000 0.872 423 V CB 0.115 31.336 31.823 -1.002 0.000 1.077 423 V HN 0.929 nan 8.190 nan 0.000 0.480 424 E N 2.903 123.054 120.200 -0.083 0.000 2.390 424 E HA 0.549 4.899 4.350 0.000 0.000 0.261 424 E C 0.762 177.356 176.600 -0.010 0.000 1.076 424 E CA 0.747 57.124 56.400 -0.038 0.000 0.905 424 E CB 1.198 30.903 29.700 0.009 0.000 0.984 424 E HN 0.951 nan 8.360 nan 0.000 0.427 425 G N 2.235 111.036 108.800 0.002 0.000 2.498 425 G HA2 -0.203 3.757 3.960 0.000 0.000 0.651 425 G HA3 -0.203 3.757 3.960 0.000 0.000 0.651 425 G C -1.052 173.881 174.900 0.056 0.000 1.284 425 G CA -0.575 44.543 45.100 0.030 0.000 0.950 425 G HN 0.668 nan 8.290 nan 0.000 0.511 426 D N 0.728 121.171 120.400 0.072 0.000 2.412 426 D HA 0.539 5.179 4.640 0.000 0.000 0.257 426 D C 1.565 177.931 176.300 0.111 0.000 1.217 426 D CA 1.326 55.383 54.000 0.094 0.000 0.897 426 D CB 0.966 41.841 40.800 0.124 0.000 1.132 426 D HN 1.131 nan 8.370 nan 0.000 0.493 427 A N 3.477 126.368 122.820 0.119 0.000 1.884 427 A HA -0.268 4.052 4.320 0.000 0.000 0.219 427 A C 2.200 179.808 177.584 0.041 0.000 1.197 427 A CA 2.254 54.377 52.037 0.144 0.000 0.637 427 A CB -1.038 18.010 19.000 0.081 0.000 0.827 427 A HN 0.680 nan 8.150 nan 0.000 0.450 428 T N -0.471 114.062 114.554 -0.034 0.000 2.684 428 T HA -0.149 4.201 4.350 0.000 0.000 0.267 428 T C 2.029 176.632 174.700 -0.163 0.000 1.036 428 T CA 2.018 64.013 62.100 -0.175 0.000 1.148 428 T CB -0.648 67.967 68.868 -0.422 0.000 0.863 428 T HN 0.593 nan 8.240 nan 0.000 0.436 429 T N 2.525 117.026 114.554 -0.089 0.000 2.684 429 T HA -0.115 4.235 4.350 0.000 0.000 0.267 429 T C 1.996 176.717 174.700 0.035 0.000 1.036 429 T CA 1.128 63.218 62.100 -0.018 0.000 1.148 429 T CB -0.375 68.527 68.868 0.056 0.000 0.863 429 T HN 0.341 nan 8.240 nan 0.000 0.436 430 N N 1.095 119.856 118.700 0.102 0.000 2.396 430 N HA 0.079 4.819 4.740 0.000 0.000 0.180 430 N C 1.827 177.457 175.510 0.200 0.000 1.028 430 N CA 0.525 53.681 53.050 0.177 0.000 0.893 430 N CB -0.324 38.325 38.487 0.269 0.000 0.967 430 N HN 0.367 nan 8.380 nan 0.000 0.440 431 L N 0.126 121.401 121.223 0.087 0.000 2.109 431 L HA -0.020 4.320 4.340 0.000 0.000 0.207 431 L C 2.388 179.255 176.870 -0.005 0.000 1.086 431 L CA 1.061 55.884 54.840 -0.028 0.000 0.760 431 L CB -0.692 41.271 42.059 -0.160 0.000 0.910 431 L HN 0.179 nan 8.230 nan 0.000 0.437 432 G N 0.051 108.844 108.800 -0.011 0.000 2.404 432 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 432 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 432 G C 1.657 176.569 174.900 0.021 0.000 1.174 432 G CA 0.306 45.403 45.100 -0.005 0.000 0.780 432 G HN 0.267 nan 8.290 nan 0.000 0.537 433 K N -0.476 119.946 120.400 0.037 0.000 2.209 433 K HA 0.072 4.392 4.320 0.000 0.000 0.204 433 K C 2.305 178.933 176.600 0.047 0.000 1.048 433 K CA 0.979 57.291 56.287 0.042 0.000 0.940 433 K CB -0.150 32.378 32.500 0.047 0.000 0.729 433 K HN 0.348 nan 8.250 nan 0.000 0.451 434 M N 0.053 119.693 119.600 0.067 0.000 2.514 434 M HA -0.018 4.462 4.480 0.000 0.000 0.258 434 M C 1.870 178.196 176.300 0.042 0.000 1.119 434 M CA 0.552 55.892 55.300 0.068 0.000 1.111 434 M CB 0.138 32.821 32.600 0.137 0.000 1.390 434 M HN 0.060 nan 8.290 nan 0.000 0.475 435 M N 0.977 120.597 119.600 0.034 0.000 2.226 435 M HA -0.269 4.211 4.480 0.000 0.000 0.257 435 M C 2.308 178.631 176.300 0.039 0.000 1.070 435 M CA 2.892 58.209 55.300 0.029 0.000 1.087 435 M CB -0.579 32.035 32.600 0.024 0.000 1.278 435 M HN 0.517 nan 8.290 nan 0.000 0.426 436 S N -0.627 115.098 115.700 0.042 0.000 2.402 436 S HA -0.218 4.252 4.470 0.000 0.000 0.233 436 S C 1.698 176.340 174.600 0.070 0.000 1.030 436 S CA 1.662 59.896 58.200 0.056 0.000 1.003 436 S CB -0.934 62.296 63.200 0.049 0.000 0.813 436 S HN 0.646 nan 8.310 nan 0.000 0.477 437 K N 0.630 121.052 120.400 0.036 0.000 2.525 437 K HA 0.204 4.524 4.320 0.000 0.000 0.192 437 K C -0.200 176.346 176.600 -0.091 0.000 1.029 437 K CA 0.131 56.416 56.287 -0.004 0.000 1.029 437 K CB -0.109 32.372 32.500 -0.031 0.000 0.814 437 K HN 0.403 nan 8.250 nan 0.000 0.503 438 I N 1.564 122.125 120.570 -0.014 0.000 2.331 438 I HA 0.165 4.335 4.170 0.000 0.000 0.292 438 I C 0.160 176.363 176.117 0.144 0.000 0.998 438 I CA -0.675 60.606 61.300 -0.032 0.000 1.267 438 I CB 0.209 38.218 38.000 0.014 0.000 1.386 438 I HN -0.056 nan 8.210 nan 0.000 0.476 439 F N 6.834 126.798 119.950 0.024 0.000 2.472 439 F HA 0.186 4.713 4.527 0.000 0.000 0.364 439 F C -1.569 174.243 175.800 0.020 0.000 1.090 439 F CA -1.933 56.078 58.000 0.018 0.000 1.188 439 F CB 0.554 39.563 39.000 0.014 0.000 1.105 439 F HN 0.217 nan 8.300 nan 0.000 0.536 440 P HA -0.004 nan 4.420 nan 0.000 0.263 440 P C -0.399 176.954 177.300 0.088 0.000 1.247 440 P CA 0.085 63.252 63.100 0.113 0.000 0.876 440 P CB 0.201 31.946 31.700 0.075 0.000 0.928 441 V N 4.607 124.572 119.914 0.086 0.000 2.740 441 V HA -0.055 4.065 4.120 0.000 0.000 0.303 441 V C 1.963 178.068 176.094 0.018 0.000 1.054 441 V CA 0.405 62.738 62.300 0.055 0.000 1.106 441 V CB 0.886 32.740 31.823 0.052 0.000 0.957 441 V HN 0.557 nan 8.190 nan 0.000 0.486 442 K N 2.970 123.368 120.400 -0.003 0.000 1.991 442 K HA -0.035 4.285 4.320 0.000 0.000 0.207 442 K C 0.170 176.736 176.600 -0.056 0.000 1.045 442 K CA 1.539 57.813 56.287 -0.022 0.000 0.937 442 K CB 0.358 32.843 32.500 -0.024 0.000 0.720 442 K HN 0.950 nan 8.250 nan 0.000 0.438 443 E N -1.864 118.282 120.200 -0.091 0.000 2.392 443 E HA 0.243 4.593 4.350 0.000 0.000 0.281 443 E C -1.137 175.332 176.600 -0.218 0.000 1.088 443 E CA -0.782 55.504 56.400 -0.190 0.000 0.850 443 E CB 0.879 30.486 29.700 -0.156 0.000 1.267 443 E HN 0.084 nan 8.360 nan 0.000 0.438 444 R N 0.895 121.143 120.500 -0.421 0.000 2.776 444 R HA 0.203 4.543 4.340 0.000 0.000 0.391 444 R C 0.607 176.792 176.300 -0.191 0.000 1.116 444 R CA 0.455 56.404 56.100 -0.251 0.000 1.056 444 R CB 0.534 30.754 30.300 -0.134 0.000 1.369 444 R HN 0.743 nan 8.270 nan 0.000 0.590 445 S N 0.567 116.168 115.700 -0.165 0.000 2.409 445 S HA -0.353 4.117 4.470 0.000 0.000 0.237 445 S C 1.762 176.410 174.600 0.081 0.000 1.060 445 S CA 1.949 60.129 58.200 -0.033 0.000 1.052 445 S CB -0.062 63.122 63.200 -0.025 0.000 0.871 445 S HN 0.590 nan 8.310 nan 0.000 0.465 446 E N 0.218 120.473 120.200 0.093 0.000 2.028 446 E HA -0.145 4.205 4.350 0.000 0.000 0.191 446 E C 1.928 178.686 176.600 0.263 0.000 0.988 446 E CA 1.000 57.477 56.400 0.128 0.000 0.799 446 E CB -0.445 29.308 29.700 0.088 0.000 0.755 446 E HN 0.826 nan 8.360 nan 0.000 0.447 447 W N -0.052 121.299 121.300 0.084 0.000 2.355 447 W HA -0.251 4.409 4.660 0.000 0.000 0.309 447 W C 1.678 178.332 176.519 0.224 0.000 1.206 447 W CA 0.551 57.988 57.345 0.154 0.000 1.284 447 W CB -0.115 29.495 29.460 0.251 0.000 1.145 447 W HN 0.136 nan 8.180 nan 0.000 0.502 448 F N 0.761 120.748 119.950 0.062 0.000 2.269 448 F HA -0.121 4.406 4.527 0.000 0.000 0.301 448 F C 2.549 178.278 175.800 -0.119 0.000 1.082 448 F CA 1.291 59.230 58.000 -0.102 0.000 1.360 448 F CB -1.595 37.388 39.000 -0.029 0.000 1.041 448 F HN -0.083 nan 8.300 nan 0.000 0.512 449 A N -0.430 122.463 122.820 0.122 0.000 1.873 449 A HA -0.245 4.075 4.320 0.000 0.000 0.215 449 A C 2.164 179.666 177.584 -0.138 0.000 1.186 449 A CA 1.752 53.792 52.037 0.005 0.000 0.616 449 A CB -0.846 18.166 19.000 0.019 0.000 0.823 449 A HN 0.327 nan 8.150 nan 0.000 0.442 450 Q N 0.198 119.879 119.800 -0.198 0.000 2.084 450 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 450 Q C 1.751 177.223 176.000 -0.880 0.000 0.978 450 Q CA 1.957 57.440 55.803 -0.534 0.000 0.844 450 Q CB -0.497 27.973 28.738 -0.446 0.000 0.898 450 Q HN 0.681 nan 8.270 nan 0.000 0.426 451 I N 0.512 120.703 120.570 -0.632 0.000 2.179 451 I HA -0.281 3.889 4.170 0.000 0.000 0.242 451 I C 1.671 177.664 176.117 -0.206 0.000 1.088 451 I CA 1.204 62.253 61.300 -0.419 0.000 1.357 451 I CB -0.422 37.255 38.000 -0.538 0.000 1.051 451 I HN 0.284 nan 8.210 nan 0.000 0.409 452 N N 0.857 119.438 118.700 -0.198 0.000 2.381 452 N HA -0.190 4.550 4.740 0.000 0.000 0.182 452 N C 1.707 177.172 175.510 -0.076 0.000 1.025 452 N CA 0.945 53.934 53.050 -0.102 0.000 0.888 452 N CB -0.201 38.248 38.487 -0.064 0.000 0.965 452 N HN 0.413 nan 8.380 nan 0.000 0.438 453 K N -0.117 120.188 120.400 -0.159 0.000 2.057 453 K HA -0.088 4.232 4.320 0.000 0.000 0.206 453 K C 1.652 178.261 176.600 0.014 0.000 1.050 453 K CA 0.831 57.039 56.287 -0.132 0.000 0.935 453 K CB 0.024 32.366 32.500 -0.264 0.000 0.715 453 K HN 0.105 nan 8.250 nan 0.000 0.439 454 W N 1.551 122.879 121.300 0.047 0.000 2.409 454 W HA -0.035 4.625 4.660 0.000 0.000 0.299 454 W C 1.761 178.331 176.519 0.085 0.000 1.203 454 W CA 0.670 58.099 57.345 0.140 0.000 1.298 454 W CB -0.578 28.940 29.460 0.097 0.000 1.127 454 W HN 0.096 nan 8.180 nan 0.000 0.528 455 K N 0.541 121.071 120.400 0.217 0.000 2.113 455 K HA -0.208 4.112 4.320 0.000 0.000 0.208 455 K C 2.357 178.987 176.600 0.051 0.000 1.047 455 K CA 2.478 58.814 56.287 0.082 0.000 0.928 455 K CB -0.352 32.153 32.500 0.008 0.000 0.716 455 K HN 0.119 nan 8.250 nan 0.000 0.446 456 K N 1.253 121.679 120.400 0.044 0.000 2.228 456 K HA -0.116 4.204 4.320 0.000 0.000 0.202 456 K C 1.836 178.426 176.600 -0.016 0.000 1.051 456 K CA 1.629 57.921 56.287 0.007 0.000 0.960 456 K CB -0.231 32.266 32.500 -0.005 0.000 0.743 456 K HN 0.166 nan 8.250 nan 0.000 0.458 457 E N -0.939 119.252 120.200 -0.015 0.000 2.075 457 E HA 0.071 4.421 4.350 0.000 0.000 0.190 457 E C -0.270 176.118 176.600 -0.353 0.000 0.969 457 E CA 0.695 56.964 56.400 -0.219 0.000 0.815 457 E CB 0.081 29.591 29.700 -0.316 0.000 0.776 457 E HN 0.661 nan 8.360 nan 0.000 0.457 458 Y N 1.922 122.274 120.300 0.087 0.000 2.902 458 Y HA 0.385 4.936 4.550 0.000 0.000 0.353 458 Y C -2.034 173.834 175.900 -0.052 0.000 1.116 458 Y CA -2.432 55.691 58.100 0.038 0.000 1.222 458 Y CB 0.521 38.981 38.460 0.001 0.000 1.302 458 Y HN 0.102 nan 8.280 nan 0.000 0.590 459 P HA 0.114 nan 4.420 nan 0.000 0.297 459 P C -0.637 176.702 177.300 0.065 0.000 1.307 459 P CA -0.566 62.525 63.100 -0.015 0.000 0.773 459 P CB 1.247 32.962 31.700 0.024 0.000 1.265 460 Y N -0.235 120.139 120.300 0.123 0.000 2.603 460 Y HA 0.279 4.829 4.550 0.000 0.000 0.341 460 Y C 1.253 177.316 175.900 0.272 0.000 1.272 460 Y CA -0.904 57.302 58.100 0.177 0.000 1.891 460 Y CB -0.532 37.981 38.460 0.088 0.000 1.910 460 Y HN 0.300 nan 8.280 nan 0.000 0.432 461 A N 2.840 125.858 122.820 0.331 0.000 2.322 461 A HA 0.614 4.934 4.320 0.000 0.000 0.269 461 A C -0.904 176.573 177.584 -0.178 0.000 1.094 461 A CA -0.202 51.913 52.037 0.130 0.000 0.807 461 A CB 0.324 19.505 19.000 0.300 0.000 1.047 461 A HN 0.689 nan 8.150 nan 0.000 0.487 462 Y N -1.835 118.055 120.300 -0.683 0.000 2.677 462 Y HA 0.583 5.133 4.550 0.000 0.000 0.334 462 Y C -0.815 174.575 175.900 -0.850 0.000 1.196 462 Y CA -1.607 55.750 58.100 -1.238 0.000 1.059 462 Y CB 0.938 39.054 38.460 -0.572 0.000 1.315 462 Y HN 0.574 nan 8.280 nan 0.000 0.455 463 M N 3.088 122.460 119.600 -0.380 0.000 2.350 463 M HA 0.215 4.695 4.480 0.000 0.000 0.338 463 M C -0.606 175.747 176.300 0.089 0.000 1.559 463 M CA 0.737 56.090 55.300 0.088 0.000 1.217 463 M CB -0.197 32.546 32.600 0.238 0.000 1.808 463 M HN 0.677 nan 8.290 nan 0.000 0.458 464 E N 2.492 122.655 120.200 -0.062 0.000 2.371 464 E HA 0.096 4.446 4.350 0.000 0.000 0.257 464 E C -0.437 176.182 176.600 0.031 0.000 1.134 464 E CA -0.463 55.928 56.400 -0.015 0.000 0.919 464 E CB 0.544 30.145 29.700 -0.165 0.000 1.025 464 E HN 0.531 nan 8.360 nan 0.000 0.438 465 E N 1.164 121.384 120.200 0.032 0.000 2.465 465 E HA -0.005 4.345 4.350 0.000 0.000 0.260 465 E C -0.172 176.432 176.600 0.007 0.000 0.980 465 E CA 0.361 56.769 56.400 0.013 0.000 0.927 465 E CB 0.464 30.163 29.700 -0.002 0.000 0.934 465 E HN 0.404 nan 8.360 nan 0.000 0.459 466 T N 0.066 114.628 114.554 0.013 0.000 2.919 466 T HA 0.591 4.941 4.350 0.000 0.000 0.282 466 T C -2.484 172.220 174.700 0.007 0.000 1.020 466 T CA -2.595 59.512 62.100 0.011 0.000 0.994 466 T CB 1.325 70.204 68.868 0.020 0.000 1.180 466 T HN 0.046 nan 8.240 nan 0.000 0.566 467 P HA 0.322 nan 4.420 nan 0.000 0.271 467 P C 1.100 178.403 177.300 0.005 0.000 1.220 467 P CA 1.049 64.151 63.100 0.003 0.000 0.768 467 P CB 0.287 31.988 31.700 0.002 0.000 0.848 468 G N 2.081 110.883 108.800 0.003 0.000 2.220 468 G HA2 -0.283 3.677 3.960 0.000 0.000 0.269 468 G HA3 -0.283 3.677 3.960 0.000 0.000 0.269 468 G C 0.544 175.449 174.900 0.008 0.000 0.977 468 G CA 0.550 45.652 45.100 0.004 0.000 0.634 468 G HN 0.784 nan 8.290 nan 0.000 0.539 469 S N -0.194 115.512 115.700 0.010 0.000 2.624 469 S HA 0.606 5.076 4.470 0.000 0.000 0.263 469 S C 0.481 175.085 174.600 0.007 0.000 1.287 469 S CA 0.019 58.228 58.200 0.015 0.000 0.990 469 S CB 1.422 64.635 63.200 0.021 0.000 0.950 469 S HN 0.487 nan 8.310 nan 0.000 0.561 470 K N 0.247 120.652 120.400 0.009 0.000 2.180 470 K HA 0.321 4.641 4.320 0.000 0.000 0.251 470 K C -0.023 176.564 176.600 -0.022 0.000 1.014 470 K CA -0.323 55.962 56.287 -0.003 0.000 0.913 470 K CB 0.285 32.788 32.500 0.005 0.000 1.008 470 K HN 0.559 nan 8.250 nan 0.000 0.490 471 I N 2.664 123.211 120.570 -0.038 0.000 2.692 471 I HA -0.044 4.126 4.170 0.000 0.000 0.284 471 I C 0.546 176.599 176.117 -0.105 0.000 1.159 471 I CA 0.160 61.421 61.300 -0.066 0.000 1.423 471 I CB 0.318 38.276 38.000 -0.071 0.000 1.380 471 I HN 0.220 nan 8.210 nan 0.000 0.580 472 K N 8.407 128.720 120.400 -0.146 0.000 2.201 472 K HA 0.250 4.570 4.320 0.000 0.000 0.278 472 K C -1.554 174.799 176.600 -0.413 0.000 1.027 472 K CA -1.981 54.148 56.287 -0.263 0.000 0.909 472 K CB 1.085 33.445 32.500 -0.233 0.000 1.062 472 K HN 0.288 nan 8.250 nan 0.000 0.465 473 P HA -0.235 nan 4.420 nan 0.000 0.216 473 P C 0.681 177.568 177.300 -0.688 0.000 1.157 473 P CA 1.645 64.405 63.100 -0.567 0.000 0.880 473 P CB 0.451 31.695 31.700 -0.760 0.000 0.791 474 Q N -0.537 118.566 119.800 -1.161 0.000 2.096 474 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 474 Q C 2.428 177.923 176.000 -0.841 0.000 0.982 474 Q CA 2.289 57.350 55.803 -1.237 0.000 0.850 474 Q CB -1.620 25.834 28.738 -2.140 0.000 0.901 474 Q HN 0.259 nan 8.270 nan 0.000 0.422 475 T N 0.188 114.339 114.554 -0.672 0.000 2.684 475 T HA -0.147 4.203 4.350 0.000 0.000 0.267 475 T C 1.929 176.498 174.700 -0.217 0.000 1.036 475 T CA 1.501 63.422 62.100 -0.298 0.000 1.148 475 T CB -0.394 68.379 68.868 -0.159 0.000 0.863 475 T HN 0.071 nan 8.240 nan 0.000 0.436 476 V N 2.067 121.855 119.914 -0.210 0.000 2.282 476 V HA -0.188 3.932 4.120 0.000 0.000 0.249 476 V C 2.512 178.561 176.094 -0.075 0.000 1.057 476 V CA 1.348 63.573 62.300 -0.124 0.000 1.032 476 V CB -0.726 31.029 31.823 -0.114 0.000 0.645 476 V HN 0.436 nan 8.190 nan 0.000 0.447 477 I N 0.085 120.610 120.570 -0.075 0.000 2.163 477 I HA -0.230 3.940 4.170 0.000 0.000 0.243 477 I C 2.468 178.562 176.117 -0.039 0.000 1.085 477 I CA 1.790 63.119 61.300 0.049 0.000 1.347 477 I CB -1.249 36.822 38.000 0.119 0.000 1.044 477 I HN 0.402 nan 8.210 nan 0.000 0.408 478 K N 0.886 121.215 120.400 -0.119 0.000 2.009 478 K HA -0.185 4.135 4.320 0.000 0.000 0.210 478 K C 2.113 178.598 176.600 -0.192 0.000 1.049 478 K CA 1.344 57.538 56.287 -0.155 0.000 0.929 478 K CB -0.221 32.208 32.500 -0.117 0.000 0.714 478 K HN 0.313 nan 8.250 nan 0.000 0.440 479 K N 0.736 121.053 120.400 -0.138 0.000 2.032 479 K HA -0.172 4.148 4.320 0.000 0.000 0.209 479 K C 2.180 178.704 176.600 -0.127 0.000 1.048 479 K CA 1.131 57.347 56.287 -0.118 0.000 0.927 479 K CB -0.290 32.162 32.500 -0.080 0.000 0.712 479 K HN 0.035 nan 8.250 nan 0.000 0.441 480 L N 1.157 122.326 121.223 -0.089 0.000 2.093 480 L HA -0.135 4.205 4.340 0.000 0.000 0.208 480 L C 2.387 179.096 176.870 -0.269 0.000 1.085 480 L CA 1.658 56.483 54.840 -0.025 0.000 0.755 480 L CB -0.786 41.377 42.059 0.173 0.000 0.904 480 L HN 0.052 nan 8.230 nan 0.000 0.435 481 S N -0.783 114.528 115.700 -0.648 0.000 2.374 481 S HA -0.291 4.179 4.470 0.000 0.000 0.227 481 S C 2.225 176.346 174.600 -0.798 0.000 1.037 481 S CA 1.923 59.246 58.200 -1.462 0.000 1.024 481 S CB -0.317 62.054 63.200 -1.382 0.000 0.861 481 S HN 0.564 nan 8.310 nan 0.000 0.456 482 K N 0.143 120.271 120.400 -0.455 0.000 2.007 482 K HA -0.027 4.293 4.320 0.000 0.000 0.206 482 K C 2.046 178.532 176.600 -0.190 0.000 1.047 482 K CA 1.492 57.609 56.287 -0.282 0.000 0.937 482 K CB -0.364 32.019 32.500 -0.194 0.000 0.718 482 K HN 0.307 nan 8.250 nan 0.000 0.438 483 V N 1.631 121.461 119.914 -0.141 0.000 2.282 483 V HA -0.300 3.820 4.120 0.000 0.000 0.249 483 V C 2.483 178.549 176.094 -0.047 0.000 1.057 483 V CA 2.153 64.414 62.300 -0.065 0.000 1.032 483 V CB -0.845 30.970 31.823 -0.014 0.000 0.645 483 V HN 0.488 nan 8.190 nan 0.000 0.447 484 A N 0.417 123.209 122.820 -0.046 0.000 1.877 484 A HA -0.310 4.010 4.320 0.000 0.000 0.216 484 A C 2.081 179.663 177.584 -0.004 0.000 1.186 484 A CA 2.435 54.489 52.037 0.029 0.000 0.620 484 A CB -0.923 18.194 19.000 0.195 0.000 0.822 484 A HN 0.663 nan 8.150 nan 0.000 0.443 485 N N 0.198 118.843 118.700 -0.091 0.000 2.120 485 N HA -0.159 4.581 4.740 0.000 0.000 0.188 485 N C 0.863 176.344 175.510 -0.048 0.000 1.024 485 N CA 1.727 54.731 53.050 -0.078 0.000 0.852 485 N CB -0.311 38.075 38.487 -0.167 0.000 1.003 485 N HN 0.349 nan 8.380 nan 0.000 0.424 486 D N -1.094 119.270 120.400 -0.060 0.000 2.403 486 D HA -0.090 4.550 4.640 0.000 0.000 0.227 486 D C 1.437 177.727 176.300 -0.017 0.000 0.995 486 D CA 1.146 55.123 54.000 -0.039 0.000 0.928 486 D CB -0.477 40.296 40.800 -0.045 0.000 0.887 486 D HN 0.593 nan 8.370 nan 0.000 0.529 487 T N -3.703 110.847 114.554 -0.007 0.000 3.067 487 T HA 0.196 4.546 4.350 0.000 0.000 0.261 487 T C 1.815 176.524 174.700 0.015 0.000 1.110 487 T CA 0.795 62.898 62.100 0.004 0.000 1.113 487 T CB 0.188 69.061 68.868 0.009 0.000 0.917 487 T HN 0.165 nan 8.240 nan 0.000 0.499 488 G N 1.861 110.672 108.800 0.018 0.000 2.168 488 G HA2 -0.297 3.663 3.960 0.000 0.000 0.263 488 G HA3 -0.297 3.663 3.960 0.000 0.000 0.263 488 G C 0.249 175.180 174.900 0.053 0.000 0.977 488 G CA 0.322 45.441 45.100 0.031 0.000 0.659 488 G HN 0.719 nan 8.290 nan 0.000 0.533 489 R N -0.324 120.212 120.500 0.059 0.000 2.546 489 R HA 0.478 4.818 4.340 0.000 0.000 0.266 489 R C 0.365 176.743 176.300 0.131 0.000 1.086 489 R CA -0.768 55.383 56.100 0.085 0.000 1.160 489 R CB 0.597 30.936 30.300 0.065 0.000 1.138 489 R HN 0.404 nan 8.270 nan 0.000 0.567 490 H N 0.885 119.990 119.070 0.060 0.000 2.767 490 H HA 0.166 4.722 4.556 0.000 0.000 0.316 490 H C -1.002 174.383 175.328 0.096 0.000 1.059 490 H CA -0.202 55.894 56.048 0.079 0.000 1.461 490 H CB 0.742 30.546 29.762 0.070 0.000 1.475 490 H HN 0.084 nan 8.280 nan 0.000 0.531 491 V N 7.907 127.640 119.914 -0.302 0.000 2.459 491 V HA 0.299 4.419 4.120 0.000 0.000 0.295 491 V C 0.256 176.204 176.094 -0.244 0.000 1.029 491 V CA -0.640 61.570 62.300 -0.149 0.000 0.874 491 V CB 1.618 33.500 31.823 0.099 0.000 0.985 491 V HN 0.624 nan 8.190 nan 0.000 0.438 492 I N 4.620 125.120 120.570 -0.117 0.000 2.465 492 I HA 0.537 4.707 4.170 0.000 0.000 0.291 492 I C -0.839 175.267 176.117 -0.018 0.000 1.014 492 I CA -0.818 60.455 61.300 -0.045 0.000 1.093 492 I CB 2.244 40.243 38.000 -0.002 0.000 1.267 492 I HN 0.263 nan 8.210 nan 0.000 0.431 493 V N 4.482 124.412 119.914 0.026 0.000 2.495 493 V HA 0.549 4.669 4.120 0.000 0.000 0.298 493 V C 0.141 176.280 176.094 0.075 0.000 1.031 493 V CA -0.414 61.896 62.300 0.016 0.000 0.871 493 V CB 2.053 33.834 31.823 -0.070 0.000 0.988 493 V HN 0.883 nan 8.190 nan 0.000 0.432 494 T N 0.666 115.235 114.554 0.026 0.000 2.924 494 T HA 0.908 5.258 4.350 0.000 0.000 0.291 494 T C -0.275 174.454 174.700 0.048 0.000 1.045 494 T CA -0.377 61.707 62.100 -0.027 0.000 1.015 494 T CB 2.172 70.990 68.868 -0.083 0.000 1.103 494 T HN 0.888 nan 8.240 nan 0.000 0.496 495 T N -1.658 112.929 114.554 0.055 0.000 2.787 495 T HA 0.791 5.141 4.350 0.000 0.000 0.297 495 T C 0.493 175.313 174.700 0.200 0.000 1.221 495 T CA -0.389 61.809 62.100 0.163 0.000 1.006 495 T CB 1.294 70.279 68.868 0.195 0.000 1.328 495 T HN 1.021 nan 8.240 nan 0.000 0.509 496 G N -0.369 108.666 108.800 0.393 0.000 2.630 496 G HA2 0.604 4.564 3.960 0.000 0.000 0.223 496 G HA3 0.604 4.564 3.960 0.000 0.000 0.223 496 G C -1.031 173.984 174.900 0.192 0.000 1.434 496 G CA -0.720 44.580 45.100 0.333 0.000 1.057 496 G HN 0.899 nan 8.290 nan 0.000 0.570 497 V N -0.000 119.992 119.914 0.130 0.000 2.487 497 V HA 0.813 4.933 4.120 0.000 0.000 0.298 497 V C 0.663 176.682 176.094 -0.125 0.000 1.028 497 V CA 0.699 62.947 62.300 -0.087 0.000 0.860 497 V CB 0.632 32.404 31.823 -0.085 0.000 0.991 497 V HN 1.679 nan 8.190 nan 0.000 0.427 498 G N 3.556 112.149 108.800 -0.344 0.000 2.320 498 G HA2 0.005 3.965 3.960 0.000 0.000 0.274 498 G HA3 0.005 3.965 3.960 0.000 0.000 0.274 498 G C 0.027 174.608 174.900 -0.532 0.000 1.324 498 G CA -0.034 44.876 45.100 -0.316 0.000 0.957 498 G HN 0.436 nan 8.290 nan 0.000 0.481 499 Q N -0.833 118.670 119.800 -0.494 0.000 2.077 499 Q HA -0.217 4.123 4.340 0.000 0.000 0.206 499 Q C 2.234 177.704 176.000 -0.882 0.000 0.989 499 Q CA 2.600 57.856 55.803 -0.911 0.000 0.853 499 Q CB -0.348 27.776 28.738 -1.024 0.000 0.907 499 Q HN 0.868 nan 8.270 nan 0.000 0.418 500 H N -0.145 118.779 119.070 -0.244 0.000 2.422 500 H HA -0.158 4.398 4.556 0.000 0.000 0.298 500 H C 1.989 177.354 175.328 0.062 0.000 1.098 500 H CA 1.603 57.717 56.048 0.109 0.000 1.315 500 H CB -0.353 29.480 29.762 0.119 0.000 1.382 500 H HN 0.292 nan 8.280 nan 0.000 0.523 501 Q N -0.005 119.337 119.800 -0.763 0.000 2.079 501 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 501 Q C 1.685 177.599 176.000 -0.143 0.000 0.974 501 Q CA 1.533 57.124 55.803 -0.354 0.000 0.840 501 Q CB 0.086 28.549 28.738 -0.459 0.000 0.898 501 Q HN 0.445 nan 8.270 nan 0.000 0.430 502 M N -0.759 118.636 119.600 -0.341 0.000 2.175 502 M HA -0.134 4.346 4.480 0.000 0.000 0.264 502 M C 1.737 177.929 176.300 -0.180 0.000 1.063 502 M CA 0.986 56.094 55.300 -0.321 0.000 1.119 502 M CB -1.174 31.052 32.600 -0.623 0.000 1.377 502 M HN 0.386 nan 8.290 nan 0.000 0.415 503 W N 0.497 121.741 121.300 -0.092 0.000 2.402 503 W HA 0.047 4.707 4.660 0.000 0.000 0.286 503 W C 2.604 179.158 176.519 0.057 0.000 1.221 503 W CA 1.292 58.624 57.345 -0.021 0.000 1.257 503 W CB -1.335 28.131 29.460 0.010 0.000 1.120 503 W HN 0.283 nan 8.180 nan 0.000 0.551 504 A N 0.581 123.586 122.820 0.309 0.000 1.898 504 A HA -0.007 4.313 4.320 0.000 0.000 0.216 504 A C 2.256 180.016 177.584 0.293 0.000 1.181 504 A CA 2.592 54.822 52.037 0.322 0.000 0.620 504 A CB -1.022 18.184 19.000 0.344 0.000 0.819 504 A HN 0.101 nan 8.150 nan 0.000 0.442 505 A N -0.543 122.387 122.820 0.183 0.000 1.877 505 A HA -0.204 4.116 4.320 0.000 0.000 0.216 505 A C 2.163 179.866 177.584 0.198 0.000 1.186 505 A CA 1.679 53.783 52.037 0.113 0.000 0.620 505 A CB -0.612 18.423 19.000 0.059 0.000 0.822 505 A HN 0.653 nan 8.150 nan 0.000 0.443 506 Q N -1.194 118.562 119.800 -0.073 0.000 2.016 506 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 506 Q C 1.737 177.513 176.000 -0.374 0.000 0.978 506 Q CA 1.426 56.937 55.803 -0.487 0.000 0.833 506 Q CB -0.276 27.709 28.738 -1.255 0.000 0.895 506 Q HN 0.774 nan 8.270 nan 0.000 0.427 507 H N -1.728 117.328 119.070 -0.025 0.000 2.539 507 H HA 0.015 4.571 4.556 0.000 0.000 0.267 507 H C 0.124 175.429 175.328 -0.038 0.000 0.982 507 H CA 0.088 56.140 56.048 0.007 0.000 1.146 507 H CB 0.118 29.860 29.762 -0.033 0.000 1.382 507 H HN 0.287 nan 8.280 nan 0.000 0.577 508 W N 2.147 123.312 121.300 -0.226 0.000 2.381 508 W HA 0.161 4.821 4.660 -0.000 0.000 0.329 508 W C -0.581 175.465 176.519 -0.788 0.000 1.157 508 W CA -0.242 56.733 57.345 -0.618 0.000 1.240 508 W CB 1.199 29.998 29.460 -1.102 0.000 1.199 508 W HN -0.246 nan 8.180 nan 0.000 0.579 509 T N 5.808 119.892 114.554 -0.784 0.000 2.811 509 T HA 0.132 4.482 4.350 0.000 0.000 0.309 509 T C -0.687 173.832 174.700 -0.301 0.000 1.005 509 T CA -0.011 61.835 62.100 -0.424 0.000 0.955 509 T CB -0.295 68.376 68.868 -0.329 0.000 0.970 509 T HN 0.218 nan 8.240 nan 0.000 0.496 510 W N 2.849 124.267 121.300 0.196 0.000 2.287 510 W HA 0.435 5.095 4.660 0.000 0.000 0.313 510 W C 1.373 177.951 176.519 0.099 0.000 1.267 510 W CA -0.826 56.624 57.345 0.176 0.000 1.201 510 W CB 0.869 30.381 29.460 0.086 0.000 1.196 510 W HN 0.556 nan 8.180 nan 0.000 0.536 511 R N 0.981 121.674 120.500 0.320 0.000 2.725 511 R HA 0.091 4.431 4.340 0.000 0.000 0.207 511 R C -0.403 175.990 176.300 0.155 0.000 0.924 511 R CA -0.280 55.920 56.100 0.167 0.000 1.098 511 R CB 0.262 30.618 30.300 0.093 0.000 1.602 511 R HN 0.463 nan 8.270 nan 0.000 0.615 512 N N 3.486 122.317 118.700 0.218 0.000 2.399 512 N HA 0.297 5.037 4.740 0.000 0.000 0.295 512 N C -2.751 172.869 175.510 0.184 0.000 1.048 512 N CA -1.672 51.498 53.050 0.201 0.000 0.886 512 N CB 1.842 40.488 38.487 0.265 0.000 1.185 512 N HN -0.113 nan 8.380 nan 0.000 0.487 513 P HA 0.012 nan 4.420 nan 0.000 0.274 513 P C -0.727 176.585 177.300 0.020 0.000 1.231 513 P CA 0.395 63.461 63.100 -0.056 0.000 0.790 513 P CB 0.488 32.100 31.700 -0.147 0.000 0.951 514 H N -0.131 118.999 119.070 0.099 0.000 2.886 514 H HA -0.091 4.465 4.556 0.000 0.000 0.294 514 H C 0.630 176.033 175.328 0.125 0.000 1.246 514 H CA 1.366 57.467 56.048 0.088 0.000 1.142 514 H CB -2.609 27.203 29.762 0.083 0.000 1.358 514 H HN 0.618 nan 8.280 nan 0.000 0.406 515 T N -4.002 110.657 114.554 0.176 0.000 3.043 515 T HA 0.260 4.610 4.350 0.000 0.000 0.272 515 T C -0.004 174.805 174.700 0.180 0.000 0.990 515 T CA -0.260 61.940 62.100 0.166 0.000 0.897 515 T CB 0.406 69.390 68.868 0.193 0.000 1.111 515 T HN 0.112 nan 8.240 nan 0.000 0.529 516 F N 2.353 122.197 119.950 -0.177 0.000 2.500 516 F HA 0.663 5.190 4.527 0.000 0.000 0.349 516 F C -1.412 174.262 175.800 -0.211 0.000 1.127 516 F CA -2.745 55.033 58.000 -0.370 0.000 0.998 516 F CB 1.068 39.486 39.000 -0.970 0.000 1.237 516 F HN 0.040 nan 8.300 nan 0.000 0.439 517 I N 5.693 126.047 120.570 -0.360 0.000 2.388 517 I HA 0.301 4.471 4.170 0.000 0.000 0.281 517 I C -0.122 175.791 176.117 -0.340 0.000 1.046 517 I CA -0.233 60.898 61.300 -0.281 0.000 1.187 517 I CB 1.436 39.380 38.000 -0.093 0.000 1.351 517 I HN 0.506 nan 8.210 nan 0.000 0.472 518 T N 3.280 117.530 114.554 -0.508 0.000 2.906 518 T HA 0.318 4.668 4.350 0.000 0.000 0.295 518 T C -0.650 173.775 174.700 -0.458 0.000 1.061 518 T CA -0.424 61.414 62.100 -0.437 0.000 1.000 518 T CB 1.943 70.319 68.868 -0.821 0.000 1.103 518 T HN 0.392 nan 8.240 nan 0.000 0.486 519 S N 1.887 117.212 115.700 -0.626 0.000 2.448 519 S HA 0.523 4.993 4.470 0.000 0.000 0.279 519 S C 1.089 175.453 174.600 -0.394 0.000 1.195 519 S CA 0.119 57.883 58.200 -0.726 0.000 1.051 519 S CB 0.059 62.708 63.200 -0.918 0.000 0.948 519 S HN 0.888 nan 8.310 nan 0.000 0.493 520 G N 3.805 112.422 108.800 -0.305 0.000 2.828 520 G HA2 0.228 4.188 3.960 0.000 0.000 0.201 520 G HA3 0.228 4.188 3.960 0.000 0.000 0.201 520 G C 1.202 176.007 174.900 -0.158 0.000 1.102 520 G CA 0.411 45.389 45.100 -0.204 0.000 0.815 520 G HN 0.793 nan 8.290 nan 0.000 0.590 521 G N 1.101 109.811 108.800 -0.150 0.000 2.453 521 G HA2 -0.086 3.874 3.960 0.000 0.000 0.215 521 G HA3 -0.086 3.874 3.960 0.000 0.000 0.215 521 G C 1.672 176.511 174.900 -0.100 0.000 1.201 521 G CA 1.234 46.269 45.100 -0.108 0.000 0.784 521 G HN 0.343 nan 8.290 nan 0.000 0.545 522 L N 0.545 121.700 121.223 -0.114 0.000 2.249 522 L HA 0.386 4.726 4.340 0.000 0.000 0.207 522 L C 1.668 178.464 176.870 -0.124 0.000 1.090 522 L CA 1.490 56.273 54.840 -0.095 0.000 0.802 522 L CB -0.366 41.650 42.059 -0.071 0.000 0.947 522 L HN 0.517 nan 8.230 nan 0.000 0.453 523 G N 1.029 109.723 108.800 -0.177 0.000 2.392 523 G HA2 -0.250 3.710 3.960 0.000 0.000 0.290 523 G HA3 -0.250 3.710 3.960 0.000 0.000 0.290 523 G C 0.079 174.883 174.900 -0.160 0.000 1.032 523 G CA 0.453 45.443 45.100 -0.185 0.000 1.269 523 G HN 0.350 nan 8.290 nan 0.000 0.511 524 T N 2.838 117.273 114.554 -0.198 0.000 2.723 524 T HA 0.500 4.850 4.350 0.000 0.000 0.297 524 T C 1.216 175.854 174.700 -0.104 0.000 0.925 524 T CA -0.209 61.812 62.100 -0.131 0.000 1.030 524 T CB 0.684 69.485 68.868 -0.111 0.000 0.905 524 T HN 0.448 nan 8.240 nan 0.000 0.502 525 M N 2.376 121.942 119.600 -0.057 0.000 2.249 525 M HA 0.331 4.811 4.480 0.000 0.000 0.340 525 M C 1.502 177.786 176.300 -0.027 0.000 1.166 525 M CA 0.892 56.181 55.300 -0.018 0.000 1.115 525 M CB 0.323 32.920 32.600 -0.006 0.000 1.606 525 M HN 0.995 nan 8.290 nan 0.000 0.448 526 G N 1.426 110.220 108.800 -0.011 0.000 2.176 526 G HA2 -0.314 3.646 3.960 0.000 0.000 0.232 526 G HA3 -0.314 3.646 3.960 0.000 0.000 0.232 526 G C 0.344 175.186 174.900 -0.096 0.000 0.986 526 G CA 0.338 45.410 45.100 -0.047 0.000 0.643 526 G HN 0.817 nan 8.290 nan 0.000 0.522 527 Y N 1.665 121.788 120.300 -0.296 0.000 2.242 527 Y HA 0.182 4.732 4.550 0.000 0.000 0.291 527 Y C 2.568 178.343 175.900 -0.208 0.000 1.137 527 Y CA 2.441 60.277 58.100 -0.440 0.000 1.181 527 Y CB -0.579 37.638 38.460 -0.405 0.000 0.989 527 Y HN 0.269 nan 8.280 nan 0.000 0.527 528 G N 1.160 109.938 108.800 -0.038 0.000 2.764 528 G HA2 -0.391 3.569 3.960 0.000 0.000 0.219 528 G HA3 -0.391 3.569 3.960 0.000 0.000 0.219 528 G C 1.597 176.442 174.900 -0.091 0.000 1.259 528 G CA 1.559 46.630 45.100 -0.048 0.000 0.793 528 G HN 0.461 nan 8.290 nan 0.000 0.633 529 L N 2.748 123.967 121.223 -0.007 0.000 1.970 529 L HA -0.024 4.316 4.340 0.000 0.000 0.212 529 L C 0.523 177.368 176.870 -0.042 0.000 1.071 529 L CA 2.847 57.703 54.840 0.026 0.000 0.751 529 L CB -1.258 40.852 42.059 0.084 0.000 0.889 529 L HN 0.234 nan 8.230 nan 0.000 0.432 530 P HA -0.184 nan 4.420 nan 0.000 0.216 530 P C 1.387 178.590 177.300 -0.162 0.000 1.150 530 P CA 2.188 65.244 63.100 -0.073 0.000 0.837 530 P CB -0.203 31.485 31.700 -0.020 0.000 0.786 531 A N 0.687 123.300 122.820 -0.345 0.000 1.898 531 A HA -0.022 4.298 4.320 0.000 0.000 0.216 531 A C 2.554 180.002 177.584 -0.225 0.000 1.181 531 A CA 2.100 53.859 52.037 -0.463 0.000 0.620 531 A CB -1.545 16.858 19.000 -0.996 0.000 0.819 531 A HN 0.228 nan 8.150 nan 0.000 0.442 532 A N 0.139 122.867 122.820 -0.154 0.000 1.883 532 A HA -0.133 4.187 4.320 0.000 0.000 0.217 532 A C 2.122 179.705 177.584 -0.002 0.000 1.186 532 A CA 1.617 53.621 52.037 -0.055 0.000 0.624 532 A CB -0.672 18.318 19.000 -0.017 0.000 0.822 532 A HN 0.510 nan 8.150 nan 0.000 0.444 533 I N -0.384 120.193 120.570 0.013 0.000 2.163 533 I HA -0.236 3.934 4.170 0.000 0.000 0.243 533 I C 2.714 178.908 176.117 0.128 0.000 1.085 533 I CA 1.239 62.584 61.300 0.075 0.000 1.347 533 I CB -0.713 37.339 38.000 0.087 0.000 1.044 533 I HN 0.413 nan 8.210 nan 0.000 0.408 534 G N 0.407 109.254 108.800 0.079 0.000 2.418 534 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 534 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 534 G C 1.873 176.897 174.900 0.207 0.000 1.158 534 G CA 0.820 46.014 45.100 0.156 0.000 0.771 534 G HN 0.494 nan 8.290 nan 0.000 0.545 535 A N 0.286 123.152 122.820 0.076 0.000 1.902 535 A HA -0.120 4.200 4.320 0.000 0.000 0.217 535 A C 2.315 179.955 177.584 0.093 0.000 1.181 535 A CA 2.278 54.350 52.037 0.059 0.000 0.623 535 A CB -0.481 18.525 19.000 0.011 0.000 0.818 535 A HN 0.420 nan 8.150 nan 0.000 0.443 536 Q N -0.286 119.572 119.800 0.097 0.000 2.226 536 Q HA -0.075 4.265 4.340 0.000 0.000 0.204 536 Q C 1.728 177.806 176.000 0.131 0.000 0.975 536 Q CA 1.830 57.692 55.803 0.098 0.000 0.866 536 Q CB -0.434 28.352 28.738 0.081 0.000 0.915 536 Q HN 0.354 nan 8.270 nan 0.000 0.440 537 V N 0.134 120.164 119.914 0.195 0.000 2.548 537 V HA -0.140 3.980 4.120 0.000 0.000 0.249 537 V C 2.104 178.356 176.094 0.264 0.000 1.055 537 V CA 1.479 63.918 62.300 0.232 0.000 1.065 537 V CB -0.803 31.206 31.823 0.310 0.000 0.681 537 V HN 0.496 nan 8.190 nan 0.000 0.462 538 A N -0.884 122.092 122.820 0.259 0.000 1.897 538 A HA -0.036 4.284 4.320 0.000 0.000 0.215 538 A C 1.407 179.015 177.584 0.041 0.000 1.181 538 A CA 1.110 53.197 52.037 0.082 0.000 0.620 538 A CB -0.005 18.871 19.000 -0.206 0.000 0.821 538 A HN 0.367 nan 8.150 nan 0.000 0.443 539 K N -0.454 119.985 120.400 0.065 0.000 2.606 539 K HA 0.296 4.616 4.320 0.000 0.000 0.196 539 K C -2.478 174.172 176.600 0.083 0.000 1.048 539 K CA -1.901 54.427 56.287 0.069 0.000 1.017 539 K CB 0.983 33.545 32.500 0.103 0.000 1.413 539 K HN 0.083 nan 8.250 nan 0.000 0.568 540 P HA -0.187 nan 4.420 nan 0.000 0.217 540 P C 0.658 177.995 177.300 0.062 0.000 1.151 540 P CA 1.383 64.524 63.100 0.069 0.000 0.849 540 P CB 0.488 32.225 31.700 0.061 0.000 0.787 541 E N -1.355 118.882 120.200 0.062 0.000 2.478 541 E HA 0.072 4.422 4.350 0.000 0.000 0.194 541 E C 0.404 177.054 176.600 0.084 0.000 1.045 541 E CA 0.209 56.646 56.400 0.061 0.000 0.868 541 E CB -0.300 29.431 29.700 0.051 0.000 0.885 541 E HN 0.154 nan 8.360 nan 0.000 0.505 542 S N 0.487 116.254 115.700 0.112 0.000 2.592 542 S HA 0.234 4.704 4.470 0.000 0.000 0.271 542 S C -0.259 174.385 174.600 0.073 0.000 1.326 542 S CA -0.671 57.615 58.200 0.143 0.000 1.024 542 S CB 0.732 64.068 63.200 0.226 0.000 0.921 542 S HN 0.168 nan 8.310 nan 0.000 0.527 543 L N 4.064 125.316 121.223 0.049 0.000 2.295 543 L HA 0.430 4.770 4.340 0.000 0.000 0.288 543 L C -0.973 175.897 176.870 0.000 0.000 1.079 543 L CA -0.041 54.805 54.840 0.010 0.000 0.830 543 L CB 0.021 42.085 42.059 0.008 0.000 1.200 543 L HN 0.355 nan 8.230 nan 0.000 0.438 544 V N 7.222 127.134 119.914 -0.003 0.000 2.364 544 V HA 0.425 4.545 4.120 0.000 0.000 0.272 544 V C 0.344 176.430 176.094 -0.013 0.000 1.036 544 V CA -0.310 61.989 62.300 -0.001 0.000 0.880 544 V CB 1.019 32.852 31.823 0.017 0.000 0.991 544 V HN 0.611 nan 8.190 nan 0.000 0.460 545 I N 3.888 124.456 120.570 -0.003 0.000 2.433 545 I HA 0.406 4.576 4.170 0.000 0.000 0.292 545 I C -0.704 175.441 176.117 0.046 0.000 1.001 545 I CA -0.474 60.844 61.300 0.030 0.000 1.119 545 I CB 2.094 40.133 38.000 0.066 0.000 1.289 545 I HN 0.562 nan 8.210 nan 0.000 0.438 546 D N 7.635 128.085 120.400 0.083 0.000 2.427 546 D HA 0.364 5.004 4.640 0.000 0.000 0.226 546 D C -0.583 175.765 176.300 0.081 0.000 1.076 546 D CA -0.236 53.805 54.000 0.067 0.000 0.849 546 D CB 0.805 41.638 40.800 0.055 0.000 1.052 546 D HN 0.324 nan 8.370 nan 0.000 0.515 547 I N 3.948 124.581 120.570 0.104 0.000 2.281 547 I HA 0.202 4.372 4.170 0.000 0.000 0.293 547 I C 0.396 176.570 176.117 0.096 0.000 1.085 547 I CA -0.311 61.060 61.300 0.119 0.000 1.257 547 I CB 0.504 38.625 38.000 0.201 0.000 1.430 547 I HN 0.331 nan 8.210 nan 0.000 0.489 548 D N 4.169 124.497 120.400 -0.120 0.000 2.392 548 D HA 0.574 5.214 4.640 0.000 0.000 0.246 548 D C -0.110 175.705 176.300 -0.809 0.000 1.013 548 D CA -0.207 53.572 54.000 -0.368 0.000 0.993 548 D CB 2.502 43.185 40.800 -0.194 0.000 1.219 548 D HN 0.507 nan 8.370 nan 0.000 0.538 549 G N -0.305 107.884 108.800 -1.019 0.000 2.454 549 G HA2 0.264 4.224 3.960 0.000 0.000 0.329 549 G HA3 0.264 4.224 3.960 0.000 0.000 0.329 549 G C 0.762 175.517 174.900 -0.242 0.000 1.177 549 G CA -0.476 44.231 45.100 -0.654 0.000 0.951 549 G HN 0.466 nan 8.290 nan 0.000 0.485 550 D N 0.959 121.289 120.400 -0.116 0.000 2.104 550 D HA -0.186 4.454 4.640 0.000 0.000 0.194 550 D C 2.344 178.730 176.300 0.143 0.000 0.994 550 D CA 1.401 55.416 54.000 0.024 0.000 0.830 550 D CB -0.633 40.286 40.800 0.199 0.000 0.959 550 D HN 0.390 nan 8.370 nan 0.000 0.452 551 A N 0.956 123.834 122.820 0.097 0.000 1.877 551 A HA -0.153 4.167 4.320 0.000 0.000 0.216 551 A C 2.551 180.180 177.584 0.075 0.000 1.186 551 A CA 2.245 54.336 52.037 0.089 0.000 0.620 551 A CB -0.812 18.219 19.000 0.052 0.000 0.822 551 A HN 0.280 nan 8.150 nan 0.000 0.443 552 S N -1.183 114.556 115.700 0.065 0.000 2.370 552 S HA -0.146 4.324 4.470 0.000 0.000 0.226 552 S C 1.663 176.302 174.600 0.065 0.000 1.033 552 S CA 1.494 59.730 58.200 0.062 0.000 1.011 552 S CB -0.517 62.741 63.200 0.098 0.000 0.852 552 S HN 0.592 nan 8.310 nan 0.000 0.457 553 F N 2.899 122.795 119.950 -0.091 0.000 2.126 553 F HA -0.156 4.371 4.527 0.000 0.000 0.299 553 F C 1.750 177.539 175.800 -0.018 0.000 1.096 553 F CA 1.378 59.319 58.000 -0.099 0.000 1.255 553 F CB -0.834 38.030 39.000 -0.227 0.000 0.997 553 F HN 0.159 nan 8.300 nan 0.000 0.479 554 N N -0.374 118.343 118.700 0.029 0.000 2.149 554 N HA -0.229 4.511 4.740 0.000 0.000 0.188 554 N C 1.949 177.394 175.510 -0.108 0.000 1.019 554 N CA 1.813 54.848 53.050 -0.024 0.000 0.857 554 N CB -0.201 38.341 38.487 0.092 0.000 0.997 554 N HN 0.240 nan 8.380 nan 0.000 0.426 555 M N -0.265 119.285 119.600 -0.083 0.000 2.082 555 M HA -0.127 4.353 4.480 0.000 0.000 0.258 555 M C 1.190 177.405 176.300 -0.141 0.000 1.069 555 M CA 1.645 56.891 55.300 -0.090 0.000 1.102 555 M CB -0.989 31.574 32.600 -0.061 0.000 1.336 555 M HN 0.349 nan 8.290 nan 0.000 0.404 556 T N -2.691 111.748 114.554 -0.192 0.000 3.288 556 T HA 0.293 4.643 4.350 0.000 0.000 0.293 556 T C 1.153 175.682 174.700 -0.284 0.000 1.008 556 T CA -0.382 61.600 62.100 -0.196 0.000 0.929 556 T CB -0.651 68.141 68.868 -0.126 0.000 1.152 556 T HN 0.473 nan 8.240 nan 0.000 0.517 557 L N -0.471 120.474 121.223 -0.464 0.000 2.447 557 L HA 0.012 4.352 4.340 0.000 0.000 0.225 557 L C 1.969 178.674 176.870 -0.274 0.000 1.148 557 L CA 1.666 56.101 54.840 -0.675 0.000 0.808 557 L CB -1.250 40.288 42.059 -0.869 0.000 0.928 557 L HN 0.319 nan 8.230 nan 0.000 0.448 558 T N -0.011 114.452 114.554 -0.151 0.000 2.951 558 T HA -0.087 4.263 4.350 0.000 0.000 0.268 558 T C 1.574 176.270 174.700 -0.007 0.000 1.073 558 T CA 1.099 63.171 62.100 -0.047 0.000 1.134 558 T CB -0.210 68.651 68.868 -0.012 0.000 0.884 558 T HN 0.454 nan 8.240 nan 0.000 0.479 559 E N 1.056 121.243 120.200 -0.023 0.000 2.515 559 E HA 0.006 4.356 4.350 0.000 0.000 0.201 559 E C 1.870 178.499 176.600 0.049 0.000 1.071 559 E CA 0.041 56.458 56.400 0.028 0.000 0.880 559 E CB -0.303 29.409 29.700 0.021 0.000 0.828 559 E HN 0.380 nan 8.360 nan 0.000 0.540 560 L N 1.260 122.508 121.223 0.041 0.000 2.042 560 L HA -0.205 4.135 4.340 0.000 0.000 0.210 560 L C 2.348 179.275 176.870 0.095 0.000 1.076 560 L CA 2.019 56.917 54.840 0.095 0.000 0.749 560 L CB -0.978 41.157 42.059 0.126 0.000 0.893 560 L HN 0.135 nan 8.230 nan 0.000 0.432 561 S N -2.948 112.802 115.700 0.083 0.000 2.428 561 S HA -0.104 4.366 4.470 0.000 0.000 0.230 561 S C 2.043 176.697 174.600 0.089 0.000 1.014 561 S CA 1.013 59.263 58.200 0.084 0.000 0.957 561 S CB -0.496 62.751 63.200 0.078 0.000 0.784 561 S HN 0.386 nan 8.310 nan 0.000 0.499 562 S N 2.509 118.267 115.700 0.095 0.000 2.368 562 S HA 0.067 4.537 4.470 0.000 0.000 0.225 562 S C 2.350 177.011 174.600 0.103 0.000 1.030 562 S CA 1.025 59.290 58.200 0.109 0.000 0.999 562 S CB -0.849 62.423 63.200 0.121 0.000 0.844 562 S HN 0.788 nan 8.310 nan 0.000 0.459 563 A N 1.264 124.142 122.820 0.097 0.000 1.908 563 A HA -0.093 4.227 4.320 0.000 0.000 0.218 563 A C 2.347 179.982 177.584 0.085 0.000 1.181 563 A CA 1.758 53.851 52.037 0.093 0.000 0.627 563 A CB -0.963 18.093 19.000 0.094 0.000 0.818 563 A HN 0.356 nan 8.150 nan 0.000 0.445 564 V N -0.166 119.797 119.914 0.082 0.000 2.307 564 V HA -0.305 3.815 4.120 0.000 0.000 0.245 564 V C 2.727 178.863 176.094 0.070 0.000 1.045 564 V CA 2.295 64.639 62.300 0.073 0.000 1.024 564 V CB -0.857 31.009 31.823 0.071 0.000 0.651 564 V HN 0.795 nan 8.190 nan 0.000 0.449 565 Q N 0.181 120.027 119.800 0.077 0.000 2.124 565 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 565 Q C 2.031 178.078 176.000 0.077 0.000 0.977 565 Q CA 1.911 57.760 55.803 0.076 0.000 0.850 565 Q CB -0.266 28.524 28.738 0.087 0.000 0.901 565 Q HN 0.630 nan 8.270 nan 0.000 0.429 566 A N -0.338 122.532 122.820 0.084 0.000 2.169 566 A HA 0.248 4.568 4.320 0.000 0.000 0.212 566 A C 1.454 179.080 177.584 0.070 0.000 1.153 566 A CA 0.785 52.870 52.037 0.080 0.000 0.756 566 A CB -0.490 18.567 19.000 0.095 0.000 0.813 566 A HN 0.650 nan 8.150 nan 0.000 0.471 567 G N 0.093 108.933 108.800 0.066 0.000 2.198 567 G HA2 -0.220 3.740 3.960 0.000 0.000 0.257 567 G HA3 -0.220 3.740 3.960 0.000 0.000 0.257 567 G C 0.288 175.223 174.900 0.059 0.000 1.042 567 G CA 0.610 45.744 45.100 0.057 0.000 0.791 567 G HN 1.423 nan 8.290 nan 0.000 0.502 568 T N -0.707 113.888 114.554 0.068 0.000 2.811 568 T HA 0.618 4.968 4.350 0.000 0.000 0.309 568 T C -1.445 173.289 174.700 0.056 0.000 1.005 568 T CA -1.605 60.536 62.100 0.068 0.000 0.955 568 T CB 2.257 71.177 68.868 0.086 0.000 0.970 568 T HN 0.150 nan 8.240 nan 0.000 0.496 569 P HA 0.097 nan 4.420 nan 0.000 0.238 569 P C 0.684 177.988 177.300 0.007 0.000 1.714 569 P CA -0.295 62.819 63.100 0.024 0.000 0.908 569 P CB -0.715 30.994 31.700 0.014 0.000 1.893 570 V N -1.519 118.410 119.914 0.025 0.000 2.963 570 V HA 0.250 4.370 4.120 0.000 0.000 0.306 570 V C 0.324 176.416 176.094 -0.004 0.000 1.077 570 V CA -0.246 62.064 62.300 0.016 0.000 1.124 570 V CB 0.293 32.143 31.823 0.046 0.000 0.987 570 V HN -0.020 nan 8.190 nan 0.000 0.487 571 K N 5.073 125.445 120.400 -0.046 0.000 2.316 571 K HA 0.550 4.870 4.320 0.000 0.000 0.267 571 K C -0.795 175.935 176.600 0.217 0.000 1.025 571 K CA -0.588 55.637 56.287 -0.103 0.000 0.896 571 K CB 1.291 33.397 32.500 -0.657 0.000 1.124 571 K HN 0.625 nan 8.250 nan 0.000 0.451 572 I N 4.142 124.898 120.570 0.309 0.000 2.304 572 I HA 0.259 4.429 4.170 0.000 0.000 0.291 572 I C 0.000 176.167 176.117 0.084 0.000 1.018 572 I CA -1.075 60.321 61.300 0.160 0.000 1.260 572 I CB 0.473 38.478 38.000 0.008 0.000 1.390 572 I HN 0.365 nan 8.210 nan 0.000 0.475 573 L N 8.468 129.689 121.223 -0.003 0.000 2.305 573 L HA 0.571 4.911 4.340 0.000 0.000 0.284 573 L C -0.572 176.109 176.870 -0.315 0.000 1.013 573 L CA -0.035 54.658 54.840 -0.243 0.000 0.819 573 L CB 1.006 42.999 42.059 -0.111 0.000 1.227 573 L HN 0.380 nan 8.230 nan 0.000 0.417 574 I N 6.562 126.872 120.570 -0.432 0.000 2.354 574 I HA 0.253 4.423 4.170 0.000 0.000 0.286 574 I C -0.525 175.407 176.117 -0.309 0.000 1.007 574 I CA -0.499 60.510 61.300 -0.484 0.000 1.167 574 I CB 1.292 38.808 38.000 -0.806 0.000 1.320 574 I HN 0.454 nan 8.210 nan 0.000 0.458 575 L N 6.203 127.295 121.223 -0.218 0.000 2.401 575 L HA 0.195 4.535 4.340 0.000 0.000 0.283 575 L C 0.254 177.085 176.870 -0.066 0.000 1.151 575 L CA -0.205 54.579 54.840 -0.094 0.000 0.942 575 L CB -0.283 41.791 42.059 0.025 0.000 1.283 575 L HN 0.546 nan 8.230 nan 0.000 0.442 576 N N 2.982 121.653 118.700 -0.048 0.000 2.415 576 N HA 0.033 4.773 4.740 0.000 0.000 0.246 576 N C 0.449 175.999 175.510 0.067 0.000 1.078 576 N CA -0.268 52.803 53.050 0.036 0.000 0.942 576 N CB 0.564 39.122 38.487 0.119 0.000 1.140 576 N HN 0.451 nan 8.380 nan 0.000 0.501 577 N N 2.175 120.925 118.700 0.083 0.000 2.204 577 N HA 0.048 4.788 4.740 0.000 0.000 0.219 577 N C -0.681 174.888 175.510 0.099 0.000 1.151 577 N CA -0.206 52.899 53.050 0.091 0.000 0.867 577 N CB -0.265 38.288 38.487 0.110 0.000 1.043 577 N HN 0.535 nan 8.380 nan 0.000 0.516 578 E N 0.258 120.527 120.200 0.115 0.000 2.328 578 E HA -0.280 4.070 4.350 0.000 0.000 0.233 578 E C -0.794 175.870 176.600 0.107 0.000 1.219 578 E CA 1.112 57.592 56.400 0.132 0.000 0.717 578 E CB -1.462 28.325 29.700 0.146 0.000 1.210 578 E HN 0.883 nan 8.360 nan 0.000 0.381 579 E N -1.506 118.698 120.200 0.007 0.000 2.422 579 E HA 0.261 4.611 4.350 0.000 0.000 0.280 579 E C -0.976 175.541 176.600 -0.139 0.000 1.091 579 E CA -0.940 55.335 56.400 -0.208 0.000 0.849 579 E CB 0.724 30.220 29.700 -0.339 0.000 1.353 579 E HN 0.037 nan 8.360 nan 0.000 0.449 580 Q N 0.963 120.637 119.800 -0.209 0.000 3.006 580 Q HA 0.212 4.552 4.340 0.000 0.000 0.260 580 Q C 1.097 177.055 176.000 -0.071 0.000 1.356 580 Q CA 0.274 56.023 55.803 -0.090 0.000 1.070 580 Q CB 0.635 29.330 28.738 -0.073 0.000 1.507 580 Q HN 0.788 nan 8.270 nan 0.000 0.568 581 G N 1.708 110.484 108.800 -0.040 0.000 2.703 581 G HA2 -0.393 3.567 3.960 0.000 0.000 0.222 581 G HA3 -0.393 3.567 3.960 0.000 0.000 0.222 581 G C 1.253 176.152 174.900 -0.002 0.000 1.183 581 G CA 1.330 46.422 45.100 -0.013 0.000 0.775 581 G HN 0.488 nan 8.290 nan 0.000 0.615 582 M N 0.106 119.687 119.600 -0.032 0.000 2.202 582 M HA -0.015 4.465 4.480 0.000 0.000 0.262 582 M C 2.491 178.859 176.300 0.113 0.000 1.063 582 M CA 1.203 56.503 55.300 -0.000 0.000 1.097 582 M CB -0.141 32.417 32.600 -0.071 0.000 1.382 582 M HN 0.093 nan 8.290 nan 0.000 0.413 583 V N -0.785 119.174 119.914 0.076 0.000 2.488 583 V HA -0.181 3.939 4.120 0.000 0.000 0.246 583 V C 2.341 178.571 176.094 0.227 0.000 1.046 583 V CA 1.952 64.328 62.300 0.125 0.000 1.053 583 V CB -1.593 30.253 31.823 0.039 0.000 0.679 583 V HN 0.674 nan 8.190 nan 0.000 0.458 584 T N -1.682 112.971 114.554 0.164 0.000 2.867 584 T HA -0.274 4.076 4.350 0.000 0.000 0.268 584 T C 1.813 176.709 174.700 0.327 0.000 1.057 584 T CA 1.627 63.889 62.100 0.270 0.000 1.136 584 T CB -0.280 68.581 68.868 -0.013 0.000 0.874 584 T HN 0.508 nan 8.240 nan 0.000 0.466 585 Q N -0.671 119.273 119.800 0.240 0.000 2.050 585 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 585 Q C 2.103 178.273 176.000 0.283 0.000 0.980 585 Q CA 1.334 57.274 55.803 0.227 0.000 0.840 585 Q CB -0.275 28.581 28.738 0.196 0.000 0.898 585 Q HN 0.748 nan 8.270 nan 0.000 0.424 586 W N 1.260 122.690 121.300 0.216 0.000 2.402 586 W HA -0.144 4.516 4.660 0.000 0.000 0.286 586 W C 1.577 178.337 176.519 0.401 0.000 1.221 586 W CA 1.381 58.939 57.345 0.356 0.000 1.257 586 W CB 0.014 29.640 29.460 0.278 0.000 1.120 586 W HN 0.359 nan 8.180 nan 0.000 0.551 587 Q N -0.391 119.725 119.800 0.526 0.000 2.172 587 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 587 Q C 2.372 178.424 176.000 0.088 0.000 0.964 587 Q CA 1.828 57.867 55.803 0.394 0.000 0.855 587 Q CB -0.255 28.632 28.738 0.249 0.000 0.918 587 Q HN 0.012 nan 8.270 nan 0.000 0.444 588 S N 0.668 116.384 115.700 0.026 0.000 2.368 588 S HA -0.104 4.366 4.470 0.000 0.000 0.224 588 S C 1.701 176.014 174.600 -0.477 0.000 1.029 588 S CA 0.738 58.721 58.200 -0.362 0.000 0.988 588 S CB -0.104 63.029 63.200 -0.110 0.000 0.838 588 S HN 0.224 nan 8.310 nan 0.000 0.462 589 L N 0.509 121.554 121.223 -0.296 0.000 2.034 589 L HA 0.203 4.543 4.340 0.000 0.000 0.203 589 L C 1.517 177.979 176.870 -0.679 0.000 1.074 589 L CA 1.921 56.438 54.840 -0.539 0.000 0.748 589 L CB -0.705 40.908 42.059 -0.744 0.000 0.905 589 L HN 0.260 nan 8.230 nan 0.000 0.439 590 F N -2.444 117.244 119.950 -0.438 0.000 2.619 590 F HA 0.115 4.642 4.527 0.000 0.000 0.293 590 F C 0.625 176.072 175.800 -0.589 0.000 1.119 590 F CA 0.105 57.773 58.000 -0.554 0.000 1.445 590 F CB -0.196 38.333 39.000 -0.785 0.000 1.119 590 F HN -0.051 nan 8.300 nan 0.000 0.573 591 Y N 0.419 120.761 120.300 0.070 0.000 2.764 591 Y HA 0.297 4.847 4.550 0.000 0.000 0.350 591 Y C 0.047 175.924 175.900 -0.038 0.000 0.982 591 Y CA -1.358 56.766 58.100 0.040 0.000 1.431 591 Y CB -0.973 37.532 38.460 0.075 0.000 1.326 591 Y HN 0.060 nan 8.280 nan 0.000 0.550 592 E N 0.246 120.465 120.200 0.030 0.000 2.165 592 E HA -0.320 4.030 4.350 0.000 0.000 0.203 592 E C -0.653 176.037 176.600 0.150 0.000 1.335 592 E CA 0.905 57.367 56.400 0.103 0.000 0.708 592 E CB -1.500 28.253 29.700 0.089 0.000 1.105 592 E HN 0.758 nan 8.360 nan 0.000 0.346 593 H N -2.067 116.909 119.070 -0.156 0.000 2.713 593 H HA -0.209 4.347 4.556 0.000 0.000 0.311 593 H C -0.290 174.622 175.328 -0.693 0.000 1.175 593 H CA 1.365 57.157 56.048 -0.427 0.000 1.143 593 H CB -1.170 28.505 29.762 -0.144 0.000 1.434 593 H HN 0.317 nan 8.280 nan 0.000 0.418 594 R N 1.207 121.455 120.500 -0.421 0.000 2.471 594 R HA 0.190 4.530 4.340 0.000 0.000 0.292 594 R C -0.771 175.350 176.300 -0.299 0.000 1.192 594 R CA -0.512 55.424 56.100 -0.273 0.000 1.257 594 R CB 0.274 30.538 30.300 -0.059 0.000 1.130 594 R HN 0.322 nan 8.270 nan 0.000 0.558 595 Y N 0.898 121.255 120.300 0.097 0.000 2.620 595 Y HA 0.012 4.562 4.550 0.000 0.000 0.352 595 Y C 1.044 176.958 175.900 0.023 0.000 1.140 595 Y CA -0.160 57.992 58.100 0.087 0.000 1.529 595 Y CB 0.548 39.096 38.460 0.145 0.000 1.321 595 Y HN 0.321 nan 8.280 nan 0.000 0.501 596 S N 4.780 120.501 115.700 0.036 0.000 2.409 596 S HA 0.140 4.610 4.470 0.000 0.000 0.308 596 S C -0.063 174.474 174.600 -0.105 0.000 1.080 596 S CA -0.451 57.648 58.200 -0.169 0.000 1.081 596 S CB -0.492 62.612 63.200 -0.159 0.000 1.009 596 S HN 0.792 nan 8.310 nan 0.000 0.502 597 H N 1.717 120.870 119.070 0.138 0.000 2.839 597 H HA -0.120 4.436 4.556 0.000 0.000 0.298 597 H C 0.875 176.260 175.328 0.095 0.000 1.224 597 H CA 1.226 57.341 56.048 0.111 0.000 1.144 597 H CB -2.472 27.325 29.762 0.058 0.000 1.372 597 H HN 0.701 nan 8.280 nan 0.000 0.408 598 T N -3.385 111.283 114.554 0.190 0.000 3.176 598 T HA 0.250 4.600 4.350 0.000 0.000 0.263 598 T C 0.253 174.806 174.700 -0.246 0.000 1.021 598 T CA -0.214 61.889 62.100 0.005 0.000 0.905 598 T CB 0.152 69.007 68.868 -0.023 0.000 1.057 598 T HN 0.422 nan 8.240 nan 0.000 0.558 599 H N 2.178 121.293 119.070 0.075 0.000 2.854 599 H HA 0.473 5.029 4.556 0.000 0.000 0.275 599 H C -0.599 174.782 175.328 0.087 0.000 1.198 599 H CA -0.916 55.173 56.048 0.069 0.000 1.489 599 H CB 0.675 30.485 29.762 0.079 0.000 1.519 599 H HN 0.263 nan 8.280 nan 0.000 0.503 600 Q N 0.987 120.865 119.800 0.130 0.000 2.312 600 Q HA 0.337 4.677 4.340 0.000 0.000 0.236 600 Q C -0.481 175.582 176.000 0.106 0.000 0.965 600 Q CA -1.044 54.825 55.803 0.110 0.000 0.894 600 Q CB 1.163 29.950 28.738 0.082 0.000 1.225 600 Q HN 0.451 nan 8.270 nan 0.000 0.478 601 L N 1.575 122.844 121.223 0.078 0.000 2.313 601 L HA 0.309 4.649 4.340 0.000 0.000 0.282 601 L C -0.947 175.934 176.870 0.019 0.000 1.092 601 L CA 0.441 55.310 54.840 0.048 0.000 0.831 601 L CB 0.178 42.257 42.059 0.034 0.000 1.159 601 L HN 0.676 nan 8.230 nan 0.000 0.442 602 N N 5.784 124.471 118.700 -0.022 0.000 2.492 602 N HA 0.542 5.282 4.740 0.000 0.000 0.289 602 N C -2.313 173.042 175.510 -0.259 0.000 1.133 602 N CA -1.302 51.673 53.050 -0.126 0.000 0.961 602 N CB 0.839 39.216 38.487 -0.184 0.000 1.186 602 N HN 0.580 nan 8.380 nan 0.000 0.493 603 P HA 0.093 nan 4.420 nan 0.000 0.284 603 P C -1.217 175.789 177.300 -0.491 0.000 1.292 603 P CA -0.336 62.591 63.100 -0.289 0.000 0.800 603 P CB 0.681 32.301 31.700 -0.133 0.000 1.188 604 D N 0.203 120.451 120.400 -0.254 0.000 2.359 604 D HA 0.055 4.695 4.640 0.000 0.000 0.250 604 D C 0.894 177.128 176.300 -0.110 0.000 1.264 604 D CA -0.174 53.707 54.000 -0.199 0.000 0.911 604 D CB -0.106 40.650 40.800 -0.073 0.000 1.056 604 D HN 0.183 nan 8.370 nan 0.000 0.499 605 F N 2.514 122.491 119.950 0.046 0.000 2.161 605 F HA -0.221 4.306 4.527 0.000 0.000 0.300 605 F C 2.067 177.889 175.800 0.036 0.000 1.089 605 F CA 0.161 58.192 58.000 0.052 0.000 1.282 605 F CB 0.009 38.997 39.000 -0.021 0.000 1.010 605 F HN 0.393 nan 8.300 nan 0.000 0.485 606 I N 0.471 121.151 120.570 0.182 0.000 2.233 606 I HA -0.234 3.936 4.170 0.000 0.000 0.243 606 I C 2.107 178.282 176.117 0.096 0.000 1.093 606 I CA 1.496 62.864 61.300 0.113 0.000 1.380 606 I CB -0.717 37.326 38.000 0.071 0.000 1.067 606 I HN -0.042 nan 8.210 nan 0.000 0.413 607 K N -0.171 120.273 120.400 0.073 0.000 2.097 607 K HA -0.167 4.153 4.320 0.000 0.000 0.206 607 K C 2.072 178.721 176.600 0.082 0.000 1.049 607 K CA 1.155 57.478 56.287 0.060 0.000 0.933 607 K CB -0.432 32.088 32.500 0.033 0.000 0.717 607 K HN 0.160 nan 8.250 nan 0.000 0.442 608 L N 1.292 122.583 121.223 0.115 0.000 1.994 608 L HA -0.169 4.171 4.340 0.000 0.000 0.208 608 L C 2.259 179.224 176.870 0.159 0.000 1.071 608 L CA 1.974 56.904 54.840 0.150 0.000 0.745 608 L CB -0.745 41.462 42.059 0.246 0.000 0.892 608 L HN 0.119 nan 8.230 nan 0.000 0.431 609 A N -0.731 122.197 122.820 0.179 0.000 1.883 609 A HA -0.271 4.049 4.320 0.000 0.000 0.217 609 A C 2.183 179.835 177.584 0.113 0.000 1.186 609 A CA 2.035 54.166 52.037 0.156 0.000 0.624 609 A CB -0.812 18.270 19.000 0.137 0.000 0.822 609 A HN 0.637 nan 8.150 nan 0.000 0.444 610 E N -0.461 119.796 120.200 0.095 0.000 2.085 610 E HA -0.140 4.210 4.350 0.000 0.000 0.194 610 E C 2.310 178.951 176.600 0.069 0.000 0.994 610 E CA 1.050 57.494 56.400 0.074 0.000 0.801 610 E CB -0.302 29.435 29.700 0.061 0.000 0.743 610 E HN 0.631 nan 8.360 nan 0.000 0.453 611 A N 0.887 123.750 122.820 0.072 0.000 1.933 611 A HA -0.162 4.158 4.320 0.000 0.000 0.218 611 A C 2.070 179.695 177.584 0.069 0.000 1.175 611 A CA 1.175 53.251 52.037 0.064 0.000 0.628 611 A CB -0.228 18.809 19.000 0.062 0.000 0.814 611 A HN 0.140 nan 8.150 nan 0.000 0.444 612 M N -1.716 117.935 119.600 0.085 0.000 2.492 612 M HA 0.078 4.558 4.480 0.000 0.000 0.262 612 M C 1.465 177.813 176.300 0.080 0.000 1.090 612 M CA 1.221 56.573 55.300 0.086 0.000 1.110 612 M CB -0.751 31.913 32.600 0.108 0.000 1.407 612 M HN 0.818 nan 8.290 nan 0.000 0.470 613 G N 0.811 109.656 108.800 0.076 0.000 2.135 613 G HA2 -0.143 3.817 3.960 0.000 0.000 0.183 613 G HA3 -0.143 3.817 3.960 0.000 0.000 0.183 613 G C -0.426 174.517 174.900 0.071 0.000 1.004 613 G CA -0.380 44.760 45.100 0.068 0.000 0.677 613 G HN 0.323 nan 8.290 nan 0.000 0.512 614 L N -0.327 120.944 121.223 0.081 0.000 2.271 614 L HA 0.732 5.072 4.340 0.000 0.000 0.265 614 L C 0.554 177.472 176.870 0.080 0.000 1.013 614 L CA -1.265 53.625 54.840 0.084 0.000 0.820 614 L CB 1.125 43.245 42.059 0.102 0.000 1.352 614 L HN 0.170 nan 8.230 nan 0.000 0.443 615 K N -0.158 120.290 120.400 0.080 0.000 2.249 615 K HA 0.632 4.952 4.320 0.000 0.000 0.280 615 K C -0.415 176.238 176.600 0.088 0.000 1.033 615 K CA -0.261 56.072 56.287 0.078 0.000 0.946 615 K CB 0.826 33.372 32.500 0.077 0.000 1.005 615 K HN 0.803 nan 8.250 nan 0.000 0.469 616 G N 4.316 113.161 108.800 0.075 0.000 2.544 616 G HA2 0.566 4.527 3.960 0.000 0.000 0.313 616 G HA3 0.566 4.527 3.960 0.000 0.000 0.313 616 G C -1.266 173.664 174.900 0.051 0.000 1.316 616 G CA -0.722 44.419 45.100 0.068 0.000 0.944 616 G HN 0.526 nan 8.290 nan 0.000 0.489 617 L N 1.435 122.676 121.223 0.029 0.000 2.370 617 L HA 0.729 5.069 4.340 0.000 0.000 0.266 617 L C 0.046 176.896 176.870 -0.033 0.000 1.002 617 L CA -1.049 53.794 54.840 0.005 0.000 0.818 617 L CB 2.811 44.877 42.059 0.012 0.000 1.325 617 L HN 0.533 nan 8.230 nan 0.000 0.418 618 R N 1.377 121.863 120.500 -0.024 0.000 2.744 618 R HA 0.867 5.208 4.340 0.000 0.000 0.279 618 R C -1.990 174.288 176.300 -0.036 0.000 0.977 618 R CA -0.547 55.535 56.100 -0.030 0.000 0.906 618 R CB 2.508 32.810 30.300 0.004 0.000 1.197 618 R HN 0.429 nan 8.270 nan 0.000 0.463 619 V N 3.703 123.589 119.914 -0.047 0.000 2.686 619 V HA 0.374 4.494 4.120 0.000 0.000 0.306 619 V C -0.096 175.979 176.094 -0.032 0.000 1.065 619 V CA -0.760 61.514 62.300 -0.043 0.000 0.894 619 V CB 1.944 33.728 31.823 -0.064 0.000 1.004 619 V HN 0.918 nan 8.190 nan 0.000 0.424 620 K N 1.423 121.811 120.400 -0.021 0.000 2.412 620 K HA 0.329 4.649 4.320 0.000 0.000 0.201 620 K C 0.169 176.759 176.600 -0.016 0.000 1.275 620 K CA -0.124 56.155 56.287 -0.014 0.000 0.910 620 K CB 0.651 33.148 32.500 -0.005 0.000 1.346 620 K HN 0.472 nan 8.250 nan 0.000 0.490 621 K N 2.099 122.490 120.400 -0.015 0.000 2.249 621 K HA 0.134 4.454 4.320 0.000 0.000 0.280 621 K C 0.717 177.305 176.600 -0.020 0.000 1.033 621 K CA -0.090 56.188 56.287 -0.014 0.000 0.946 621 K CB 1.146 33.640 32.500 -0.010 0.000 1.005 621 K HN 0.101 nan 8.250 nan 0.000 0.469 622 Q N 1.686 121.474 119.800 -0.020 0.000 2.112 622 Q HA -0.254 4.086 4.340 0.000 0.000 0.206 622 Q C 1.170 177.157 176.000 -0.022 0.000 0.987 622 Q CA 1.849 57.638 55.803 -0.024 0.000 0.858 622 Q CB -0.025 28.701 28.738 -0.020 0.000 0.905 622 Q HN 0.517 nan 8.270 nan 0.000 0.420 623 E N 0.917 121.107 120.200 -0.016 0.000 2.171 623 E HA -0.198 4.152 4.350 0.000 0.000 0.197 623 E C 1.322 177.914 176.600 -0.014 0.000 0.997 623 E CA 1.299 57.691 56.400 -0.014 0.000 0.810 623 E CB -0.040 29.654 29.700 -0.010 0.000 0.738 623 E HN 0.425 nan 8.360 nan 0.000 0.467 624 E N -0.320 119.870 120.200 -0.015 0.000 2.447 624 E HA 0.010 4.360 4.350 0.000 0.000 0.195 624 E C 1.559 178.148 176.600 -0.019 0.000 1.028 624 E CA -0.196 56.195 56.400 -0.014 0.000 0.876 624 E CB 0.094 29.787 29.700 -0.012 0.000 0.885 624 E HN 0.086 nan 8.360 nan 0.000 0.500 625 L N 1.992 123.199 121.223 -0.027 0.000 1.990 625 L HA -0.263 4.077 4.340 0.000 0.000 0.213 625 L C 1.558 178.414 176.870 -0.024 0.000 1.072 625 L CA 2.005 56.824 54.840 -0.035 0.000 0.755 625 L CB -0.408 41.624 42.059 -0.045 0.000 0.889 625 L HN 0.058 nan 8.230 nan 0.000 0.432 626 D N -0.349 120.040 120.400 -0.019 0.000 2.104 626 D HA -0.202 4.438 4.640 0.000 0.000 0.194 626 D C 2.110 178.412 176.300 0.003 0.000 0.994 626 D CA 1.676 55.669 54.000 -0.011 0.000 0.830 626 D CB -0.162 40.628 40.800 -0.016 0.000 0.959 626 D HN 0.533 nan 8.370 nan 0.000 0.452 627 A N 1.614 124.435 122.820 0.002 0.000 1.877 627 A HA -0.194 4.126 4.320 0.000 0.000 0.216 627 A C 2.115 179.715 177.584 0.026 0.000 1.186 627 A CA 1.402 53.446 52.037 0.012 0.000 0.620 627 A CB -0.253 18.752 19.000 0.007 0.000 0.822 627 A HN 0.016 nan 8.150 nan 0.000 0.443 628 K N -0.141 120.269 120.400 0.017 0.000 2.057 628 K HA -0.032 4.288 4.320 0.000 0.000 0.207 628 K C 1.933 178.576 176.600 0.073 0.000 1.049 628 K CA 1.115 57.418 56.287 0.027 0.000 0.931 628 K CB -0.723 31.767 32.500 -0.017 0.000 0.714 628 K HN 0.562 nan 8.250 nan 0.000 0.440 629 L N 0.926 122.185 121.223 0.060 0.000 2.046 629 L HA -0.199 4.141 4.340 0.000 0.000 0.208 629 L C 2.427 179.401 176.870 0.173 0.000 1.077 629 L CA 1.411 56.331 54.840 0.134 0.000 0.747 629 L CB -0.335 41.768 42.059 0.073 0.000 0.896 629 L HN 0.184 nan 8.230 nan 0.000 0.432 630 K N -0.155 120.301 120.400 0.093 0.000 2.057 630 K HA -0.218 4.102 4.320 0.000 0.000 0.206 630 K C 2.043 178.690 176.600 0.079 0.000 1.050 630 K CA 1.401 57.729 56.287 0.068 0.000 0.935 630 K CB -0.085 32.436 32.500 0.035 0.000 0.715 630 K HN 0.296 nan 8.250 nan 0.000 0.439 631 E N 0.525 120.780 120.200 0.093 0.000 2.110 631 E HA -0.214 4.136 4.350 0.000 0.000 0.193 631 E C 1.858 178.542 176.600 0.140 0.000 0.988 631 E CA 0.817 57.272 56.400 0.091 0.000 0.804 631 E CB -0.104 29.645 29.700 0.082 0.000 0.745 631 E HN 0.189 nan 8.360 nan 0.000 0.458 632 F N 1.274 121.227 119.950 0.006 0.000 2.046 632 F HA -0.226 4.301 4.527 0.000 0.000 0.297 632 F C 2.065 177.875 175.800 0.017 0.000 1.123 632 F CA 1.587 59.593 58.000 0.009 0.000 1.199 632 F CB -0.766 38.237 39.000 0.005 0.000 0.972 632 F HN -0.095 nan 8.300 nan 0.000 0.474 633 V N -0.452 119.403 119.914 -0.098 0.000 2.515 633 V HA -0.250 3.870 4.120 0.000 0.000 0.250 633 V C 2.439 178.463 176.094 -0.117 0.000 1.058 633 V CA 1.994 64.171 62.300 -0.206 0.000 1.064 633 V CB -0.883 30.904 31.823 -0.060 0.000 0.675 633 V HN 0.375 nan 8.190 nan 0.000 0.461 634 S N -1.097 114.578 115.700 -0.040 0.000 2.406 634 S HA -0.063 4.407 4.470 0.000 0.000 0.228 634 S C 1.111 175.699 174.600 -0.021 0.000 1.020 634 S CA 0.470 58.658 58.200 -0.019 0.000 0.965 634 S CB -0.236 62.968 63.200 0.007 0.000 0.798 634 S HN 0.630 nan 8.310 nan 0.000 0.488 635 T N 3.595 118.138 114.554 -0.019 0.000 2.905 635 T HA 0.281 4.631 4.350 0.000 0.000 0.299 635 T C 0.172 174.860 174.700 -0.020 0.000 1.024 635 T CA 0.277 62.374 62.100 -0.005 0.000 1.151 635 T CB 0.236 69.115 68.868 0.018 0.000 0.987 635 T HN 0.429 nan 8.240 nan 0.000 0.535 636 K N 1.911 122.310 120.400 -0.002 0.000 2.234 636 K HA 0.669 4.989 4.320 0.000 0.000 0.282 636 K C 0.696 177.301 176.600 0.008 0.000 1.039 636 K CA -0.124 56.163 56.287 -0.000 0.000 0.928 636 K CB 0.497 33.002 32.500 0.008 0.000 1.039 636 K HN 1.417 nan 8.250 nan 0.000 0.470 637 G N 2.062 110.867 108.800 0.007 0.000 2.661 637 G HA2 -0.052 3.908 3.960 0.000 0.000 0.685 637 G HA3 -0.052 3.908 3.960 0.000 0.000 0.685 637 G C -2.936 171.975 174.900 0.019 0.000 1.298 637 G CA -0.406 44.706 45.100 0.020 0.000 0.855 637 G HN 0.811 nan 8.290 nan 0.000 0.560 638 P HA 0.478 nan 4.420 nan 0.000 0.271 638 P C -0.368 176.971 177.300 0.064 0.000 1.216 638 P CA 0.056 63.184 63.100 0.048 0.000 0.776 638 P CB 1.821 33.561 31.700 0.067 0.000 0.881 639 V N 4.285 124.250 119.914 0.085 0.000 3.048 639 V HA 0.522 4.642 4.120 0.000 0.000 0.303 639 V C -1.591 174.649 176.094 0.243 0.000 1.214 639 V CA -1.067 61.321 62.300 0.147 0.000 0.984 639 V CB 2.293 34.207 31.823 0.152 0.000 1.054 639 V HN 0.489 nan 8.190 nan 0.000 0.430 640 L N 6.058 127.392 121.223 0.185 0.000 2.362 640 L HA 0.790 5.130 4.340 0.000 0.000 0.275 640 L C -1.649 175.205 176.870 -0.027 0.000 0.998 640 L CA -0.777 54.112 54.840 0.081 0.000 0.820 640 L CB 1.661 43.713 42.059 -0.012 0.000 1.270 640 L HN 0.767 nan 8.230 nan 0.000 0.415 641 L N 4.749 125.812 121.223 -0.266 0.000 2.349 641 L HA 0.491 4.831 4.340 0.000 0.000 0.278 641 L C -0.758 175.877 176.870 -0.391 0.000 0.996 641 L CA 0.021 54.609 54.840 -0.420 0.000 0.825 641 L CB 1.713 43.200 42.059 -0.953 0.000 1.243 641 L HN 0.678 nan 8.230 nan 0.000 0.412 642 E N 4.363 124.422 120.200 -0.235 0.000 2.134 642 E HA 0.459 4.809 4.350 0.000 0.000 0.278 642 E C -1.597 174.917 176.600 -0.142 0.000 0.959 642 E CA -0.607 55.681 56.400 -0.187 0.000 0.783 642 E CB 1.499 31.189 29.700 -0.017 0.000 1.095 642 E HN 0.559 nan 8.360 nan 0.000 0.399 643 V N 5.305 125.128 119.914 -0.153 0.000 2.313 643 V HA 0.160 4.280 4.120 0.000 0.000 0.278 643 V C -0.188 175.868 176.094 -0.063 0.000 1.017 643 V CA -0.693 61.540 62.300 -0.112 0.000 0.823 643 V CB 1.214 32.956 31.823 -0.137 0.000 1.010 643 V HN 0.713 nan 8.190 nan 0.000 0.443 644 E N 3.445 123.627 120.200 -0.030 0.000 2.328 644 E HA 0.284 4.634 4.350 0.000 0.000 0.265 644 E C -0.076 176.513 176.600 -0.019 0.000 1.057 644 E CA -0.064 56.334 56.400 -0.003 0.000 0.916 644 E CB 1.197 30.904 29.700 0.010 0.000 0.993 644 E HN 0.655 nan 8.360 nan 0.000 0.446 645 V N 0.307 120.213 119.914 -0.013 0.000 3.096 645 V HA 0.396 4.516 4.120 0.000 0.000 0.319 645 V C -0.007 176.083 176.094 -0.007 0.000 1.103 645 V CA -1.236 61.043 62.300 -0.034 0.000 1.016 645 V CB 1.880 33.666 31.823 -0.062 0.000 1.090 645 V HN 0.418 nan 8.190 nan 0.000 0.449 646 D N 1.335 121.718 120.400 -0.029 0.000 2.424 646 D HA 0.235 4.875 4.640 0.000 0.000 0.244 646 D C 0.079 176.403 176.300 0.041 0.000 1.134 646 D CA 0.366 54.370 54.000 0.007 0.000 0.881 646 D CB 0.590 41.385 40.800 -0.010 0.000 1.191 646 D HN 0.653 nan 8.370 nan 0.000 0.445 647 K N 2.454 122.897 120.400 0.072 0.000 2.090 647 K HA 0.291 4.611 4.320 0.000 0.000 0.249 647 K C 0.235 176.893 176.600 0.096 0.000 0.995 647 K CA -0.893 55.450 56.287 0.092 0.000 0.914 647 K CB 0.748 33.310 32.500 0.104 0.000 1.057 647 K HN 0.247 nan 8.250 nan 0.000 0.462 648 K N -0.603 119.849 120.400 0.086 0.000 3.071 648 K HA -0.142 4.178 4.320 0.000 0.000 0.265 648 K C -0.938 175.752 176.600 0.149 0.000 1.060 648 K CA 0.378 56.718 56.287 0.088 0.000 0.767 648 K CB -2.224 30.312 32.500 0.060 0.000 1.241 648 K HN 0.374 nan 8.250 nan 0.000 0.486 649 V N 2.532 122.567 119.914 0.201 0.000 2.364 649 V HA 0.209 4.329 4.120 0.000 0.000 0.272 649 V C -1.452 174.874 176.094 0.386 0.000 1.036 649 V CA -1.386 61.063 62.300 0.249 0.000 0.880 649 V CB 1.298 33.213 31.823 0.153 0.000 0.991 649 V HN 0.070 nan 8.190 nan 0.000 0.460 650 P HA 0.200 nan 4.420 nan 0.000 0.279 650 P C -0.514 177.028 177.300 0.402 0.000 1.239 650 P CA -0.152 63.133 63.100 0.308 0.000 0.789 650 P CB 1.347 33.196 31.700 0.249 0.000 0.933 651 V N 4.936 124.990 119.914 0.234 0.000 2.408 651 V HA 0.214 4.334 4.120 0.000 0.000 0.267 651 V C 0.677 176.954 176.094 0.306 0.000 1.047 651 V CA 0.143 62.526 62.300 0.138 0.000 0.937 651 V CB -0.093 31.388 31.823 -0.569 0.000 0.999 651 V HN 0.396 nan 8.190 nan 0.000 0.472 652 L N 7.174 128.618 121.223 0.369 0.000 2.350 652 L HA 0.630 4.970 4.340 0.000 0.000 0.260 652 L C -2.275 174.807 176.870 0.354 0.000 1.015 652 L CA -1.948 53.113 54.840 0.368 0.000 0.821 652 L CB 2.946 45.237 42.059 0.387 0.000 1.370 652 L HN 0.386 nan 8.230 nan 0.000 0.416 653 P HA 0.186 nan 4.420 nan 0.000 0.274 653 P C -1.292 176.131 177.300 0.204 0.000 1.260 653 P CA -0.416 62.825 63.100 0.235 0.000 0.793 653 P CB 1.296 33.006 31.700 0.017 0.000 1.048 654 M N 0.144 119.836 119.600 0.154 0.000 2.324 654 M HA 0.337 4.817 4.480 0.000 0.000 0.288 654 M C -1.945 174.368 176.300 0.022 0.000 1.097 654 M CA -0.800 54.490 55.300 -0.016 0.000 0.928 654 M CB 2.063 34.675 32.600 0.019 0.000 1.648 654 M HN -0.060 nan 8.290 nan 0.000 0.460 655 V N 4.220 124.100 119.914 -0.056 0.000 2.305 655 V HA 0.798 4.918 4.120 0.000 0.000 0.275 655 V C -0.207 175.899 176.094 0.019 0.000 1.020 655 V CA -0.366 61.944 62.300 0.018 0.000 0.811 655 V CB 0.576 32.420 31.823 0.035 0.000 1.031 655 V HN 0.920 nan 8.190 nan 0.000 0.439 656 A N 3.170 126.030 122.820 0.066 0.000 2.389 656 A HA 1.035 5.355 4.320 0.000 0.000 0.293 656 A C 0.789 178.456 177.584 0.137 0.000 1.186 656 A CA 0.063 52.188 52.037 0.147 0.000 0.828 656 A CB 1.145 20.279 19.000 0.223 0.000 1.369 656 A HN 1.829 nan 8.150 nan 0.000 0.446 657 G N -0.309 108.583 108.800 0.154 0.000 2.582 657 G HA2 0.080 4.040 3.960 0.000 0.000 0.288 657 G HA3 0.080 4.040 3.960 0.000 0.000 0.288 657 G C 0.937 175.880 174.900 0.071 0.000 1.247 657 G CA 0.529 45.695 45.100 0.109 0.000 0.972 657 G HN 2.130 nan 8.290 nan 0.000 0.557 658 G N -0.046 108.786 108.800 0.054 0.000 3.496 658 G HA2 0.483 4.443 3.960 0.000 0.000 0.273 658 G HA3 0.483 4.443 3.960 0.000 0.000 0.273 658 G C 0.452 175.369 174.900 0.028 0.000 1.279 658 G CA 1.162 46.284 45.100 0.036 0.000 1.041 658 G HN 0.923 nan 8.290 nan 0.000 0.539 659 S N -0.207 115.512 115.700 0.032 0.000 2.562 659 S HA 0.594 5.064 4.470 0.000 0.000 0.275 659 S C 0.878 175.495 174.600 0.030 0.000 1.281 659 S CA -0.334 57.877 58.200 0.018 0.000 1.045 659 S CB 1.722 64.931 63.200 0.014 0.000 0.962 659 S HN 0.419 nan 8.310 nan 0.000 0.503 660 G N 0.789 109.602 108.800 0.021 0.000 2.562 660 G HA2 0.387 4.347 3.960 0.000 0.000 0.275 660 G HA3 0.387 4.347 3.960 0.000 0.000 0.275 660 G C 0.795 175.727 174.900 0.053 0.000 1.196 660 G CA -0.750 44.377 45.100 0.045 0.000 0.908 660 G HN 0.735 nan 8.290 nan 0.000 0.524 661 L N 0.170 121.442 121.223 0.082 0.000 2.349 661 L HA -0.074 4.266 4.340 0.000 0.000 0.220 661 L C 2.154 179.094 176.870 0.116 0.000 1.130 661 L CA 1.424 56.315 54.840 0.085 0.000 0.791 661 L CB -0.157 41.951 42.059 0.080 0.000 0.918 661 L HN 0.723 nan 8.230 nan 0.000 0.444 662 D N -0.762 119.664 120.400 0.043 0.000 2.350 662 D HA -0.104 4.536 4.640 0.000 0.000 0.213 662 D C 0.658 176.828 176.300 -0.217 0.000 1.031 662 D CA 0.214 54.207 54.000 -0.012 0.000 0.861 662 D CB 0.010 40.757 40.800 -0.088 0.000 0.926 662 D HN 0.404 nan 8.370 nan 0.000 0.520 663 E N 0.884 120.997 120.200 -0.146 0.000 2.354 663 E HA 0.165 4.515 4.350 0.000 0.000 0.252 663 E C -0.297 176.181 176.600 -0.204 0.000 1.330 663 E CA -0.589 55.671 56.400 -0.233 0.000 1.658 663 E CB -0.297 29.334 29.700 -0.114 0.000 1.460 663 E HN 0.332 nan 8.360 nan 0.000 0.435 664 F N -0.726 119.173 119.950 -0.085 0.000 2.378 664 F HA 0.443 4.970 4.527 0.000 0.000 0.319 664 F C 0.205 175.984 175.800 -0.034 0.000 1.155 664 F CA -1.316 56.645 58.000 -0.064 0.000 1.157 664 F CB 0.338 39.289 39.000 -0.082 0.000 1.252 664 F HN -0.188 nan 8.300 nan 0.000 0.550 665 I N 1.984 122.706 120.570 0.254 0.000 2.365 665 I HA 0.209 4.380 4.170 0.000 0.000 0.291 665 I C 0.032 176.374 176.117 0.376 0.000 1.004 665 I CA -0.266 61.146 61.300 0.187 0.000 1.311 665 I CB 0.913 38.974 38.000 0.102 0.000 1.401 665 I HN 0.734 nan 8.210 nan 0.000 0.491 666 N N 3.959 122.869 118.700 0.350 0.000 2.485 666 N HA 0.380 5.120 4.740 0.000 0.000 0.280 666 N C -1.044 174.670 175.510 0.340 0.000 1.205 666 N CA -0.725 52.579 53.050 0.424 0.000 0.959 666 N CB 1.580 40.366 38.487 0.498 0.000 1.206 666 N HN 0.328 nan 8.380 nan 0.000 0.545 667 F N 1.393 121.481 119.950 0.230 0.000 2.412 667 F HA 0.271 4.798 4.527 0.000 0.000 0.348 667 F C -0.363 175.520 175.800 0.139 0.000 1.102 667 F CA -0.203 57.909 58.000 0.185 0.000 1.196 667 F CB 0.617 39.739 39.000 0.203 0.000 1.144 667 F HN 0.276 nan 8.300 nan 0.000 0.541 668 D N 7.602 127.476 120.400 -0.876 0.000 2.736 668 D HA 0.274 4.914 4.640 0.000 0.000 0.243 668 D C -2.356 173.398 176.300 -0.911 0.000 1.304 668 D CA -1.790 51.761 54.000 -0.748 0.000 0.934 668 D CB 2.600 43.235 40.800 -0.273 0.000 1.382 668 D HN 0.184 nan 8.370 nan 0.000 0.571 669 P HA -0.159 nan 4.420 nan 0.000 0.216 669 P C 1.041 178.255 177.300 -0.143 0.000 1.153 669 P CA 1.153 64.046 63.100 -0.345 0.000 0.858 669 P CB 0.597 32.213 31.700 -0.140 0.000 0.789 670 E N -0.293 119.824 120.200 -0.137 0.000 2.015 670 E HA -0.128 4.222 4.350 0.000 0.000 0.191 670 E C 1.921 178.493 176.600 -0.048 0.000 0.991 670 E CA 1.166 57.528 56.400 -0.065 0.000 0.802 670 E CB -1.315 28.350 29.700 -0.059 0.000 0.759 670 E HN -0.144 nan 8.360 nan 0.000 0.447 671 V N 1.265 121.134 119.914 -0.075 0.000 2.370 671 V HA -0.312 3.808 4.120 0.000 0.000 0.252 671 V C 2.491 178.589 176.094 0.007 0.000 1.068 671 V CA 2.430 64.708 62.300 -0.037 0.000 1.061 671 V CB -0.652 31.141 31.823 -0.050 0.000 0.656 671 V HN 0.421 nan 8.190 nan 0.000 0.455 672 E N -0.080 120.126 120.200 0.010 0.000 2.072 672 E HA -0.190 4.160 4.350 0.000 0.000 0.190 672 E C 2.464 179.122 176.600 0.097 0.000 0.982 672 E CA 0.868 57.329 56.400 0.101 0.000 0.803 672 E CB -0.023 29.803 29.700 0.209 0.000 0.755 672 E HN 0.555 nan 8.360 nan 0.000 0.453 673 R N 0.072 120.614 120.500 0.070 0.000 2.115 673 R HA -0.120 4.220 4.340 0.000 0.000 0.230 673 R C 2.377 178.716 176.300 0.066 0.000 1.111 673 R CA 1.370 57.515 56.100 0.075 0.000 0.976 673 R CB -0.148 30.186 30.300 0.057 0.000 0.870 673 R HN 0.350 nan 8.270 nan 0.000 0.445 674 Q N 0.065 119.893 119.800 0.046 0.000 2.187 674 Q HA -0.140 4.200 4.340 0.000 0.000 0.199 674 Q C 1.943 177.969 176.000 0.043 0.000 0.957 674 Q CA 0.826 56.651 55.803 0.037 0.000 0.857 674 Q CB 0.059 28.809 28.738 0.020 0.000 0.929 674 Q HN 0.128 nan 8.270 nan 0.000 0.453 675 Q N 0.358 120.196 119.800 0.064 0.000 2.123 675 Q HA -0.075 4.265 4.340 0.000 0.000 0.199 675 Q C 1.816 177.861 176.000 0.075 0.000 0.966 675 Q CA 1.660 57.522 55.803 0.098 0.000 0.845 675 Q CB -0.154 28.665 28.738 0.135 0.000 0.907 675 Q HN 0.256 nan 8.270 nan 0.000 0.439 676 T N 0.951 115.538 114.554 0.056 0.000 2.708 676 T HA -0.109 4.241 4.350 0.000 0.000 0.266 676 T C 1.326 175.983 174.700 -0.071 0.000 1.037 676 T CA 1.347 63.428 62.100 -0.031 0.000 1.146 676 T CB -0.142 68.757 68.868 0.052 0.000 0.865 676 T HN 0.279 nan 8.240 nan 0.000 0.435 677 E N 0.941 121.190 120.200 0.082 0.000 2.110 677 E HA -0.053 4.297 4.350 0.000 0.000 0.193 677 E C 2.181 178.806 176.600 0.042 0.000 0.988 677 E CA 0.592 57.077 56.400 0.140 0.000 0.804 677 E CB -0.512 29.247 29.700 0.097 0.000 0.745 677 E HN 0.308 nan 8.360 nan 0.000 0.458 678 L N 1.266 122.463 121.223 -0.043 0.000 2.093 678 L HA -0.099 4.241 4.340 0.000 0.000 0.208 678 L C 2.450 179.131 176.870 -0.315 0.000 1.085 678 L CA 1.679 56.424 54.840 -0.159 0.000 0.755 678 L CB -0.363 41.588 42.059 -0.179 0.000 0.904 678 L HN -0.046 nan 8.230 nan 0.000 0.435 679 R N -1.787 118.536 120.500 -0.295 0.000 2.066 679 R HA -0.178 4.162 4.340 0.000 0.000 0.232 679 R C 2.355 178.633 176.300 -0.037 0.000 1.131 679 R CA 1.409 57.398 56.100 -0.185 0.000 0.955 679 R CB -0.352 29.993 30.300 0.076 0.000 0.851 679 R HN 0.498 nan 8.270 nan 0.000 0.432 680 H N 0.460 119.557 119.070 0.045 0.000 2.352 680 H HA -0.133 4.423 4.556 0.000 0.000 0.299 680 H C 1.947 177.284 175.328 0.015 0.000 1.097 680 H CA 1.691 57.766 56.048 0.045 0.000 1.311 680 H CB -0.104 29.677 29.762 0.033 0.000 1.377 680 H HN 0.240 nan 8.280 nan 0.000 0.504 681 K N 0.929 121.393 120.400 0.106 0.000 2.057 681 K HA -0.083 4.237 4.320 0.000 0.000 0.206 681 K C 2.297 178.909 176.600 0.020 0.000 1.050 681 K CA 0.867 57.181 56.287 0.044 0.000 0.935 681 K CB 0.167 32.673 32.500 0.010 0.000 0.715 681 K HN 0.123 nan 8.250 nan 0.000 0.439 682 R N -0.409 120.081 120.500 -0.018 0.000 2.189 682 R HA -0.044 4.296 4.340 0.000 0.000 0.218 682 R C 1.659 177.991 176.300 0.053 0.000 1.074 682 R CA 1.611 57.706 56.100 -0.009 0.000 0.991 682 R CB 0.044 30.301 30.300 -0.073 0.000 0.883 682 R HN 0.329 nan 8.270 nan 0.000 0.457 683 T N -3.904 110.710 114.554 0.100 0.000 3.105 683 T HA 0.272 4.622 4.350 0.000 0.000 0.253 683 T C 1.329 176.083 174.700 0.089 0.000 1.047 683 T CA 0.308 62.493 62.100 0.142 0.000 0.944 683 T CB 1.024 70.054 68.868 0.270 0.000 1.016 683 T HN 0.328 nan 8.240 nan 0.000 0.544 684 G N 0.993 109.834 108.800 0.068 0.000 2.328 684 G HA2 -0.069 3.891 3.960 0.000 0.000 0.256 684 G HA3 -0.069 3.891 3.960 0.000 0.000 0.256 684 G C 1.037 175.963 174.900 0.043 0.000 1.014 684 G CA 0.413 45.538 45.100 0.043 0.000 0.620 684 G HN 1.850 nan 8.290 nan 0.000 0.530 685 G N -0.738 108.107 108.800 0.075 0.000 2.370 685 G HA2 -0.064 3.896 3.960 0.000 0.000 0.174 685 G HA3 -0.064 3.896 3.960 0.000 0.000 0.174 685 G C 0.722 175.649 174.900 0.046 0.000 1.002 685 G CA 1.065 46.214 45.100 0.083 0.000 0.730 685 G HN 0.973 nan 8.290 nan 0.000 0.497 686 K N -0.173 120.204 120.400 -0.038 0.000 2.148 686 K HA -0.007 4.313 4.320 0.000 0.000 0.204 686 K C 0.773 177.084 176.600 -0.481 0.000 1.050 686 K CA 1.063 57.188 56.287 -0.270 0.000 0.942 686 K CB -0.049 32.240 32.500 -0.351 0.000 0.724 686 K HN 0.520 nan 8.250 nan 0.000 0.446 687 H N 0.000 119.143 119.070 0.121 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.096 56.048 0.081 0.000 1.023 687 H CB 0.000 29.765 29.762 0.004 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496