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 1t9b_1_B DATA FIRST_RESID 85 DATA SEQUENCE MDTSFVGLTG GQIFNEMMSR QNVDTVFGYP GGAILPVYDA IHNSDKFNFV DATA SEQUENCE LPKHEQGAGH MAEGYARASG KPGVVLVTSG PGATNVVTPM ADAFADGIPM DATA SEQUENCE VVFTGQVPTS AIGTDAFQEA DVVGISRSCT KWNVMVKSVE ELPLRINEAF DATA SEQUENCE EIATSGRPGP VLVDLPKDVT AAILRNPIPT KTTLPXXXXX XXXSRAQDEF DATA SEQUENCE VMQSINKAAD LINLAKKPVL YVGAGILNHA DGPRLLKELS DRAQIPVTTT DATA SEQUENCE LQGLGSFDQE DPKSLDMLGM HGCATANLAV QNADLIIAVG ARFDDRVTGN DATA SEQUENCE ISKFAPEARR AAAEGRGGII HFEVSPKNIN KVVQTQIAVE GDATTNLGKM DATA SEQUENCE MSKIFPVKER SEWFAQINKW KKEYPYAYME ETPGSKIKPQ TVIKKLSKVA DATA SEQUENCE NDTGRHVIVT TGVGQHQMWA AQHWTWRNPH TFITSGGLGT MGYGLPAAIG DATA SEQUENCE AQVAKPESLV IDIDGDASFN MTLTELSSAV QAGTPVKILI LNNEEQGMVT DATA SEQUENCE QWQSLFYEHR YSHTHQLNPD FIKLAEAMGL KGLRVKKQEE LDAKLKEFVS DATA SEQUENCE TKGPVLLEVE VDKKVPVLPM VAGGSGLDEF INFDPEVERQ QTELRHKRTG DATA SEQUENCE GKH 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 85 M HA 0.000 nan 4.480 nan 0.000 0.227 85 M C 0.000 176.278 176.300 -0.037 0.000 1.140 85 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 85 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 86 D N 0.358 120.728 120.400 -0.050 0.000 2.502 86 D HA 0.682 5.322 4.640 0.000 0.000 0.249 86 D C 0.450 176.706 176.300 -0.074 0.000 1.092 86 D CA 0.011 53.956 54.000 -0.091 0.000 0.839 86 D CB 1.604 42.310 40.800 -0.157 0.000 1.264 86 D HN 0.704 nan 8.370 nan 0.000 0.511 87 T N -0.687 113.828 114.554 -0.065 0.000 3.044 87 T HA 0.049 4.399 4.350 0.000 0.000 0.260 87 T C 1.621 176.311 174.700 -0.016 0.000 1.019 87 T CA 0.429 62.515 62.100 -0.023 0.000 0.921 87 T CB -0.198 68.665 68.868 -0.008 0.000 1.053 87 T HN 0.254 nan 8.240 nan 0.000 0.533 88 S N 0.945 116.595 115.700 -0.085 0.000 2.440 88 S HA 0.003 4.473 4.470 0.000 0.000 0.238 88 S C 1.470 176.142 174.600 0.120 0.000 1.010 88 S CA 0.475 58.643 58.200 -0.054 0.000 0.972 88 S CB -1.124 61.975 63.200 -0.168 0.000 0.774 88 S HN 0.644 nan 8.310 nan 0.000 0.501 89 F N 1.254 121.208 119.950 0.008 0.000 2.754 89 F HA 0.271 4.798 4.527 0.000 0.000 0.297 89 F C 0.567 176.375 175.800 0.013 0.000 1.122 89 F CA -0.665 57.342 58.000 0.011 0.000 1.400 89 F CB 0.349 39.358 39.000 0.016 0.000 1.117 89 F HN -0.007 nan 8.300 nan 0.000 0.587 90 V N 1.374 121.401 119.914 0.188 0.000 2.509 90 V HA 0.088 4.208 4.120 0.000 0.000 0.297 90 V C 1.063 177.209 176.094 0.087 0.000 1.014 90 V CA 1.624 63.991 62.300 0.112 0.000 1.127 90 V CB 0.033 31.898 31.823 0.070 0.000 0.925 90 V HN 0.660 nan 8.190 nan 0.000 0.480 91 G N 3.899 112.738 108.800 0.065 0.000 2.238 91 G HA2 -0.177 3.784 3.960 0.000 0.000 0.217 91 G HA3 -0.177 3.784 3.960 0.000 0.000 0.217 91 G C 0.025 174.944 174.900 0.032 0.000 0.996 91 G CA -0.099 45.027 45.100 0.044 0.000 0.632 91 G HN 0.542 nan 8.290 nan 0.000 0.503 92 L N 2.080 123.324 121.223 0.034 0.000 2.421 92 L HA 0.598 4.938 4.340 0.000 0.000 0.263 92 L C 1.507 178.365 176.870 -0.020 0.000 1.122 92 L CA -0.177 54.658 54.840 -0.007 0.000 0.804 92 L CB 1.115 43.141 42.059 -0.054 0.000 1.150 92 L HN 0.391 nan 8.230 nan 0.000 0.457 93 T N -1.980 112.555 114.554 -0.032 0.000 2.874 93 T HA 0.224 4.574 4.350 0.000 0.000 0.281 93 T C 1.246 175.921 174.700 -0.042 0.000 0.994 93 T CA -0.188 61.897 62.100 -0.025 0.000 1.015 93 T CB 1.467 70.323 68.868 -0.019 0.000 1.028 93 T HN 0.702 nan 8.240 nan 0.000 0.523 94 G N 0.225 109.012 108.800 -0.023 0.000 2.442 94 G HA2 -0.010 3.950 3.960 0.000 0.000 0.219 94 G HA3 -0.010 3.950 3.960 0.000 0.000 0.219 94 G C 1.554 176.447 174.900 -0.011 0.000 1.141 94 G CA 0.602 45.693 45.100 -0.016 0.000 0.763 94 G HN 1.022 nan 8.290 nan 0.000 0.554 95 G N 0.310 109.098 108.800 -0.020 0.000 2.418 95 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 95 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 95 G C 1.806 176.719 174.900 0.021 0.000 1.158 95 G CA 1.078 46.168 45.100 -0.015 0.000 0.771 95 G HN 0.529 nan 8.290 nan 0.000 0.545 96 Q N -0.323 119.461 119.800 -0.027 0.000 2.167 96 Q HA 0.091 4.431 4.340 0.000 0.000 0.202 96 Q C 2.550 178.465 176.000 -0.142 0.000 0.970 96 Q CA 0.653 56.423 55.803 -0.054 0.000 0.855 96 Q CB -0.114 28.586 28.738 -0.064 0.000 0.911 96 Q HN 0.519 nan 8.270 nan 0.000 0.438 97 I N 0.017 120.454 120.570 -0.221 0.000 2.315 97 I HA -0.242 3.928 4.170 0.000 0.000 0.248 97 I C 2.083 178.049 176.117 -0.252 0.000 1.117 97 I CA 0.875 61.895 61.300 -0.466 0.000 1.404 97 I CB -0.183 37.537 38.000 -0.466 0.000 1.071 97 I HN 0.161 nan 8.210 nan 0.000 0.419 98 F N 1.887 121.707 119.950 -0.218 0.000 2.069 98 F HA -0.314 4.214 4.527 0.000 0.000 0.298 98 F C 2.373 178.084 175.800 -0.148 0.000 1.113 98 F CA 2.168 60.051 58.000 -0.195 0.000 1.214 98 F CB -0.595 38.273 39.000 -0.221 0.000 0.978 98 F HN 0.085 nan 8.300 nan 0.000 0.474 99 N N -0.115 118.651 118.700 0.110 0.000 2.061 99 N HA -0.287 4.453 4.740 0.000 0.000 0.193 99 N C 1.834 177.323 175.510 -0.036 0.000 1.030 99 N CA 1.741 54.853 53.050 0.104 0.000 0.856 99 N CB -0.230 38.322 38.487 0.107 0.000 1.023 99 N HN 0.319 nan 8.380 nan 0.000 0.424 100 E N 0.197 120.338 120.200 -0.099 0.000 2.106 100 E HA -0.067 4.283 4.350 0.000 0.000 0.192 100 E C 1.952 178.506 176.600 -0.078 0.000 0.984 100 E CA 0.989 57.345 56.400 -0.074 0.000 0.806 100 E CB -0.063 29.576 29.700 -0.103 0.000 0.750 100 E HN 0.360 nan 8.360 nan 0.000 0.458 101 M N -0.491 119.006 119.600 -0.172 0.000 2.296 101 M HA -0.069 4.411 4.480 0.000 0.000 0.265 101 M C 1.805 177.929 176.300 -0.293 0.000 1.064 101 M CA 1.016 56.208 55.300 -0.179 0.000 1.109 101 M CB -0.606 31.876 32.600 -0.198 0.000 1.396 101 M HN 0.215 nan 8.290 nan 0.000 0.430 102 M N 0.156 119.539 119.600 -0.362 0.000 2.086 102 M HA -0.129 4.352 4.480 0.000 0.000 0.261 102 M C 2.357 178.558 176.300 -0.166 0.000 1.067 102 M CA 1.951 57.051 55.300 -0.333 0.000 1.116 102 M CB -1.720 30.707 32.600 -0.288 0.000 1.348 102 M HN 0.400 nan 8.290 nan 0.000 0.407 103 S N -0.216 115.448 115.700 -0.060 0.000 2.402 103 S HA -0.084 4.386 4.470 0.000 0.000 0.229 103 S C 1.983 176.545 174.600 -0.063 0.000 1.021 103 S CA 0.802 58.988 58.200 -0.023 0.000 0.974 103 S CB -0.519 62.686 63.200 0.007 0.000 0.800 103 S HN 0.450 nan 8.310 nan 0.000 0.484 104 R N 0.549 120.997 120.500 -0.088 0.000 2.189 104 R HA 0.186 4.526 4.340 0.000 0.000 0.218 104 R C 1.695 177.903 176.300 -0.154 0.000 1.074 104 R CA 0.765 56.813 56.100 -0.086 0.000 0.991 104 R CB -0.059 30.212 30.300 -0.050 0.000 0.883 104 R HN 0.355 nan 8.270 nan 0.000 0.457 105 Q N 0.041 119.679 119.800 -0.270 0.000 2.246 105 Q HA 0.034 4.375 4.340 0.000 0.000 0.202 105 Q C -0.312 175.533 176.000 -0.259 0.000 0.883 105 Q CA 0.013 55.562 55.803 -0.424 0.000 0.952 105 Q CB 0.157 28.280 28.738 -1.026 0.000 1.078 105 Q HN 0.383 nan 8.270 nan 0.000 0.493 106 N N -0.216 118.402 118.700 -0.136 0.000 2.725 106 N HA -0.165 4.575 4.740 0.000 0.000 0.249 106 N C -0.980 174.527 175.510 -0.006 0.000 1.103 106 N CA -0.160 52.862 53.050 -0.047 0.000 0.707 106 N CB -0.509 37.965 38.487 -0.022 0.000 1.043 106 N HN -0.064 nan 8.380 nan 0.000 0.553 107 V N 1.863 121.755 119.914 -0.037 0.000 2.455 107 V HA 0.098 4.218 4.120 0.000 0.000 0.273 107 V C 0.942 177.071 176.094 0.060 0.000 1.045 107 V CA 0.663 62.966 62.300 0.005 0.000 0.976 107 V CB 1.430 33.200 31.823 -0.087 0.000 0.993 107 V HN 0.411 nan 8.190 nan 0.000 0.475 108 D N 1.705 122.157 120.400 0.085 0.000 2.441 108 D HA 0.118 4.758 4.640 0.000 0.000 0.210 108 D C 0.327 176.672 176.300 0.075 0.000 1.102 108 D CA 0.039 54.115 54.000 0.127 0.000 0.840 108 D CB 0.584 41.462 40.800 0.129 0.000 0.990 108 D HN 0.488 nan 8.370 nan 0.000 0.505 109 T N -0.169 114.316 114.554 -0.115 0.000 2.952 109 T HA 0.572 4.922 4.350 0.000 0.000 0.305 109 T C -1.235 173.115 174.700 -0.583 0.000 1.064 109 T CA -0.665 61.206 62.100 -0.381 0.000 1.008 109 T CB 2.509 71.001 68.868 -0.627 0.000 1.078 109 T HN -0.144 nan 8.240 nan 0.000 0.459 110 V N 3.244 122.740 119.914 -0.697 0.000 2.638 110 V HA 0.599 4.719 4.120 0.000 0.000 0.306 110 V C -1.365 174.146 176.094 -0.971 0.000 1.052 110 V CA -0.913 60.992 62.300 -0.659 0.000 0.885 110 V CB 1.547 33.031 31.823 -0.565 0.000 0.999 110 V HN 0.839 nan 8.190 nan 0.000 0.424 111 F N 2.775 122.462 119.950 -0.438 0.000 2.427 111 F HA 0.891 5.418 4.527 0.000 0.000 0.346 111 F C 0.791 176.406 175.800 -0.309 0.000 1.120 111 F CA -0.230 57.517 58.000 -0.421 0.000 1.033 111 F CB 2.058 40.928 39.000 -0.216 0.000 1.126 111 F HN 0.681 nan 8.300 nan 0.000 0.462 112 G N 1.631 110.317 108.800 -0.190 0.000 2.550 112 G HA2 0.486 4.446 3.960 0.000 0.000 0.293 112 G HA3 0.486 4.446 3.960 0.000 0.000 0.293 112 G C -2.685 172.564 174.900 0.583 0.000 1.402 112 G CA -0.708 44.559 45.100 0.278 0.000 0.784 112 G HN 0.405 nan 8.290 nan 0.000 0.482 113 Y N 1.340 121.891 120.300 0.418 0.000 2.401 113 Y HA 0.566 5.116 4.550 0.000 0.000 0.330 113 Y C -2.297 173.595 175.900 -0.014 0.000 1.071 113 Y CA -1.532 56.696 58.100 0.214 0.000 1.049 113 Y CB 3.055 41.566 38.460 0.086 0.000 1.239 113 Y HN 0.512 nan 8.280 nan 0.000 0.437 114 P HA 0.473 nan 4.420 nan 0.000 0.272 114 P C -0.511 176.582 177.300 -0.345 0.000 1.240 114 P CA 0.157 62.685 63.100 -0.953 0.000 0.791 114 P CB 1.654 32.655 31.700 -1.164 0.000 0.978 115 G N -1.150 107.473 108.800 -0.295 0.000 2.523 115 G HA2 0.429 4.389 3.960 0.000 0.000 0.291 115 G HA3 0.429 4.389 3.960 0.000 0.000 0.291 115 G C 0.657 175.508 174.900 -0.081 0.000 1.450 115 G CA -0.097 44.938 45.100 -0.109 0.000 0.790 115 G HN 0.481 nan 8.290 nan 0.000 0.496 116 G N 0.326 109.112 108.800 -0.024 0.000 2.514 116 G HA2 0.085 4.045 3.960 0.000 0.000 0.217 116 G HA3 0.085 4.045 3.960 0.000 0.000 0.217 116 G C 2.098 177.002 174.900 0.007 0.000 1.198 116 G CA 2.298 47.403 45.100 0.008 0.000 0.780 116 G HN 1.617 nan 8.290 nan 0.000 0.565 117 A N -0.037 122.785 122.820 0.004 0.000 2.024 117 A HA 0.033 4.353 4.320 0.000 0.000 0.220 117 A C 2.224 179.815 177.584 0.011 0.000 1.164 117 A CA 1.599 53.639 52.037 0.005 0.000 0.643 117 A CB -0.238 18.755 19.000 -0.011 0.000 0.806 117 A HN 0.452 nan 8.150 nan 0.000 0.451 118 I N -0.813 119.773 120.570 0.025 0.000 3.883 118 I HA 0.157 4.327 4.170 0.000 0.000 0.326 118 I C 1.609 177.801 176.117 0.125 0.000 1.283 118 I CA 0.025 61.370 61.300 0.075 0.000 1.161 118 I CB -0.224 37.872 38.000 0.160 0.000 1.012 118 I HN 0.263 nan 8.210 nan 0.000 0.421 119 L N 1.362 122.615 121.223 0.050 0.000 2.051 119 L HA -0.187 4.153 4.340 0.000 0.000 0.214 119 L C -0.297 176.603 176.870 0.050 0.000 1.076 119 L CA 1.777 56.642 54.840 0.042 0.000 0.758 119 L CB -1.933 40.117 42.059 -0.014 0.000 0.890 119 L HN 0.239 nan 8.230 nan 0.000 0.433 120 P HA -0.154 nan 4.420 nan 0.000 0.216 120 P C 1.820 179.103 177.300 -0.029 0.000 1.150 120 P CA 1.212 64.306 63.100 -0.009 0.000 0.843 120 P CB 0.080 31.770 31.700 -0.017 0.000 0.787 121 V N -2.271 117.605 119.914 -0.062 0.000 2.407 121 V HA -0.212 3.909 4.120 0.000 0.000 0.245 121 V C 2.084 178.082 176.094 -0.160 0.000 1.041 121 V CA 1.548 63.734 62.300 -0.190 0.000 1.040 121 V CB -1.364 30.187 31.823 -0.454 0.000 0.671 121 V HN 0.030 nan 8.190 nan 0.000 0.455 122 Y N 0.839 121.069 120.300 -0.116 0.000 2.224 122 Y HA -0.243 4.308 4.550 0.000 0.000 0.289 122 Y C 2.423 178.282 175.900 -0.068 0.000 1.146 122 Y CA 2.047 60.086 58.100 -0.100 0.000 1.182 122 Y CB -0.376 38.005 38.460 -0.132 0.000 0.983 122 Y HN 0.368 nan 8.280 nan 0.000 0.524 123 D N -0.492 119.947 120.400 0.064 0.000 2.178 123 D HA -0.163 4.477 4.640 0.000 0.000 0.201 123 D C 2.117 178.434 176.300 0.027 0.000 0.980 123 D CA 1.193 55.198 54.000 0.008 0.000 0.842 123 D CB -0.128 40.657 40.800 -0.025 0.000 0.948 123 D HN 0.259 nan 8.370 nan 0.000 0.472 124 A N 0.304 123.130 122.820 0.010 0.000 2.014 124 A HA 0.017 4.337 4.320 0.000 0.000 0.218 124 A C 2.145 179.745 177.584 0.026 0.000 1.163 124 A CA 1.061 53.107 52.037 0.015 0.000 0.652 124 A CB -0.753 18.253 19.000 0.010 0.000 0.808 124 A HN 0.548 nan 8.150 nan 0.000 0.449 125 I N -4.303 116.281 120.570 0.023 0.000 3.904 125 I HA 0.201 4.371 4.170 0.000 0.000 0.333 125 I C 0.668 176.758 176.117 -0.044 0.000 1.361 125 I CA -0.454 60.854 61.300 0.013 0.000 1.116 125 I CB -0.413 37.678 38.000 0.152 0.000 1.028 125 I HN 0.263 nan 8.210 nan 0.000 0.398 126 H N 3.663 122.676 119.070 -0.096 0.000 3.091 126 H HA 0.007 4.564 4.556 0.000 0.000 0.289 126 H C 0.119 175.380 175.328 -0.111 0.000 0.995 126 H CA 1.079 57.068 56.048 -0.099 0.000 1.461 126 H CB 0.249 29.971 29.762 -0.067 0.000 1.510 126 H HN 0.568 nan 8.280 nan 0.000 0.546 127 N N 2.277 120.687 118.700 -0.484 0.000 2.753 127 N HA -0.258 4.482 4.740 0.000 0.000 0.251 127 N C -0.441 174.897 175.510 -0.287 0.000 1.097 127 N CA 0.599 53.400 53.050 -0.414 0.000 0.786 127 N CB -0.675 37.520 38.487 -0.488 0.000 1.137 127 N HN 0.425 nan 8.380 nan 0.000 0.566 128 S N 1.018 116.535 115.700 -0.306 0.000 2.533 128 S HA 0.055 4.526 4.470 0.000 0.000 0.282 128 S C 0.825 175.181 174.600 -0.407 0.000 1.304 128 S CA -0.001 57.981 58.200 -0.363 0.000 1.063 128 S CB 0.612 63.506 63.200 -0.509 0.000 0.881 128 S HN 0.300 nan 8.310 nan 0.000 0.493 129 D N 3.525 123.747 120.400 -0.297 0.000 2.342 129 D HA 0.114 4.754 4.640 0.000 0.000 0.221 129 D C 0.899 177.063 176.300 -0.227 0.000 1.101 129 D CA -0.001 53.860 54.000 -0.231 0.000 0.837 129 D CB 0.031 40.747 40.800 -0.140 0.000 0.938 129 D HN 0.534 nan 8.370 nan 0.000 0.508 130 K N -0.364 119.828 120.400 -0.346 0.000 2.288 130 K HA 0.123 4.443 4.320 0.000 0.000 0.201 130 K C -0.136 176.432 176.600 -0.054 0.000 1.048 130 K CA 0.662 56.835 56.287 -0.189 0.000 0.956 130 K CB -0.012 32.410 32.500 -0.130 0.000 0.746 130 K HN 0.318 nan 8.250 nan 0.000 0.461 131 F N -2.295 117.639 119.950 -0.026 0.000 2.741 131 F HA 0.389 4.916 4.527 0.000 0.000 0.311 131 F C -1.439 174.346 175.800 -0.024 0.000 1.149 131 F CA -1.731 56.250 58.000 -0.031 0.000 0.930 131 F CB 0.441 39.416 39.000 -0.043 0.000 1.312 131 F HN -0.329 nan 8.300 nan 0.000 0.450 132 N N 1.162 120.004 118.700 0.238 0.000 2.499 132 N HA 0.337 5.078 4.740 0.000 0.000 0.281 132 N C -1.706 173.906 175.510 0.171 0.000 1.098 132 N CA -0.094 53.033 53.050 0.129 0.000 0.979 132 N CB 1.617 40.122 38.487 0.029 0.000 1.121 132 N HN 0.659 nan 8.380 nan 0.000 0.466 133 F N 1.874 121.854 119.950 0.049 0.000 2.436 133 F HA 0.395 4.922 4.527 0.000 0.000 0.340 133 F C -0.505 175.259 175.800 -0.060 0.000 1.113 133 F CA -0.728 57.282 58.000 0.017 0.000 1.022 133 F CB 1.016 40.080 39.000 0.106 0.000 1.128 133 F HN 0.070 nan 8.300 nan 0.000 0.466 134 V N 7.422 126.967 119.914 -0.615 0.000 2.409 134 V HA 0.351 4.471 4.120 0.000 0.000 0.291 134 V C -0.825 175.183 176.094 -0.143 0.000 1.020 134 V CA -0.793 61.350 62.300 -0.262 0.000 0.848 134 V CB 1.430 33.075 31.823 -0.297 0.000 0.990 134 V HN 0.625 nan 8.190 nan 0.000 0.430 135 L N 9.720 131.049 121.223 0.178 0.000 2.272 135 L HA 0.728 5.068 4.340 0.000 0.000 0.289 135 L C -2.122 174.904 176.870 0.261 0.000 1.032 135 L CA -1.081 53.940 54.840 0.303 0.000 0.810 135 L CB 1.678 43.941 42.059 0.339 0.000 1.205 135 L HN 0.451 nan 8.230 nan 0.000 0.422 136 P HA 0.349 nan 4.420 nan 0.000 0.314 136 P C -0.702 176.776 177.300 0.296 0.000 1.306 136 P CA -0.411 62.835 63.100 0.244 0.000 0.782 136 P CB 1.355 33.175 31.700 0.199 0.000 1.337 137 K N -1.912 118.602 120.400 0.191 0.000 2.354 137 K HA 0.131 4.451 4.320 0.000 0.000 0.194 137 K C 0.490 177.082 176.600 -0.013 0.000 1.045 137 K CA 0.667 57.050 56.287 0.159 0.000 1.026 137 K CB -0.014 32.557 32.500 0.119 0.000 0.866 137 K HN 0.567 nan 8.250 nan 0.000 0.530 138 H N 0.145 119.139 119.070 -0.127 0.000 2.865 138 H HA 0.170 4.727 4.556 0.000 0.000 0.362 138 H C -0.031 175.201 175.328 -0.160 0.000 1.114 138 H CA -0.063 55.855 56.048 -0.216 0.000 1.208 138 H CB 1.926 31.611 29.762 -0.127 0.000 1.727 138 H HN -0.212 nan 8.280 nan 0.000 0.534 139 E N 2.152 122.229 120.200 -0.205 0.000 2.130 139 E HA -0.227 4.123 4.350 0.000 0.000 0.196 139 E C 1.903 178.551 176.600 0.079 0.000 0.998 139 E CA 1.610 57.986 56.400 -0.039 0.000 0.806 139 E CB 0.131 29.756 29.700 -0.125 0.000 0.738 139 E HN 0.639 nan 8.360 nan 0.000 0.459 140 Q N -0.065 119.912 119.800 0.295 0.000 2.135 140 Q HA -0.162 4.178 4.340 0.000 0.000 0.204 140 Q C 2.111 178.053 176.000 -0.097 0.000 0.981 140 Q CA 1.676 57.479 55.803 -0.000 0.000 0.856 140 Q CB -0.339 28.355 28.738 -0.073 0.000 0.902 140 Q HN 0.380 nan 8.270 nan 0.000 0.425 141 G N 0.170 108.993 108.800 0.039 0.000 2.408 141 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 141 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 141 G C 1.448 176.349 174.900 0.001 0.000 1.150 141 G CA 0.779 45.901 45.100 0.036 0.000 0.776 141 G HN 0.495 nan 8.290 nan 0.000 0.542 142 A N 0.894 123.730 122.820 0.027 0.000 1.933 142 A HA 0.163 4.483 4.320 0.000 0.000 0.218 142 A C 2.680 180.202 177.584 -0.104 0.000 1.175 142 A CA 2.071 54.126 52.037 0.031 0.000 0.628 142 A CB -1.007 18.063 19.000 0.117 0.000 0.814 142 A HN 0.494 nan 8.150 nan 0.000 0.444 143 G N -1.295 107.427 108.800 -0.129 0.000 2.421 143 G HA2 -0.243 3.717 3.960 0.000 0.000 0.216 143 G HA3 -0.243 3.717 3.960 0.000 0.000 0.216 143 G C 1.490 176.276 174.900 -0.190 0.000 1.171 143 G CA 1.099 46.086 45.100 -0.187 0.000 0.775 143 G HN 0.633 nan 8.290 nan 0.000 0.543 144 H N -0.048 118.971 119.070 -0.084 0.000 2.423 144 H HA 0.130 4.686 4.556 0.000 0.000 0.297 144 H C 2.670 177.832 175.328 -0.277 0.000 1.075 144 H CA 0.931 56.915 56.048 -0.107 0.000 1.342 144 H CB -0.233 29.470 29.762 -0.099 0.000 1.395 144 H HN 0.339 nan 8.280 nan 0.000 0.530 145 M N -0.149 119.305 119.600 -0.244 0.000 2.132 145 M HA -0.089 4.391 4.480 0.000 0.000 0.263 145 M C 2.672 178.475 176.300 -0.829 0.000 1.065 145 M CA 1.417 56.424 55.300 -0.488 0.000 1.122 145 M CB -0.134 32.150 32.600 -0.526 0.000 1.365 145 M HN 0.234 nan 8.290 nan 0.000 0.411 146 A N 0.290 122.569 122.820 -0.903 0.000 1.933 146 A HA -0.179 4.141 4.320 0.000 0.000 0.218 146 A C 1.903 179.386 177.584 -0.168 0.000 1.175 146 A CA 1.701 53.342 52.037 -0.661 0.000 0.628 146 A CB -0.651 18.166 19.000 -0.305 0.000 0.814 146 A HN 0.542 nan 8.150 nan 0.000 0.444 147 E N -0.704 119.443 120.200 -0.088 0.000 2.047 147 E HA -0.113 4.237 4.350 0.000 0.000 0.191 147 E C 2.199 178.826 176.600 0.044 0.000 0.987 147 E CA 0.805 57.240 56.400 0.058 0.000 0.799 147 E CB -0.419 29.418 29.700 0.229 0.000 0.752 147 E HN 0.597 nan 8.360 nan 0.000 0.449 148 G N 0.639 109.402 108.800 -0.061 0.000 2.442 148 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 148 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 148 G C 1.423 176.321 174.900 -0.003 0.000 1.141 148 G CA 0.941 45.994 45.100 -0.080 0.000 0.763 148 G HN 0.299 nan 8.290 nan 0.000 0.554 149 Y N 1.902 122.135 120.300 -0.113 0.000 2.145 149 Y HA 0.013 4.564 4.550 0.000 0.000 0.286 149 Y C 2.890 178.804 175.900 0.022 0.000 1.145 149 Y CA 1.630 59.731 58.100 0.001 0.000 1.148 149 Y CB -0.306 38.200 38.460 0.077 0.000 0.981 149 Y HN 0.241 nan 8.280 nan 0.000 0.507 150 A N 0.810 123.711 122.820 0.136 0.000 1.902 150 A HA -0.149 4.171 4.320 0.000 0.000 0.217 150 A C 2.258 179.817 177.584 -0.042 0.000 1.181 150 A CA 1.490 53.559 52.037 0.054 0.000 0.623 150 A CB -0.526 18.542 19.000 0.113 0.000 0.818 150 A HN 0.409 nan 8.150 nan 0.000 0.443 151 R N -0.451 120.044 120.500 -0.009 0.000 2.120 151 R HA -0.055 4.285 4.340 0.000 0.000 0.234 151 R C 2.242 178.528 176.300 -0.023 0.000 1.123 151 R CA 1.380 57.482 56.100 0.003 0.000 0.975 151 R CB -0.796 29.525 30.300 0.034 0.000 0.866 151 R HN 0.540 nan 8.270 nan 0.000 0.446 152 A N 0.251 123.028 122.820 -0.072 0.000 2.021 152 A HA -0.056 4.264 4.320 0.000 0.000 0.216 152 A C 2.075 179.551 177.584 -0.180 0.000 1.163 152 A CA 1.360 53.354 52.037 -0.070 0.000 0.676 152 A CB -0.041 18.932 19.000 -0.046 0.000 0.818 152 A HN 0.401 nan 8.150 nan 0.000 0.453 153 S N -3.026 112.495 115.700 -0.298 0.000 2.506 153 S HA 0.413 4.883 4.470 0.000 0.000 0.219 153 S C 1.469 175.907 174.600 -0.271 0.000 1.031 153 S CA 1.170 59.174 58.200 -0.326 0.000 0.911 153 S CB 0.145 63.036 63.200 -0.514 0.000 0.812 153 S HN 1.807 nan 8.310 nan 0.000 0.497 154 G N 1.284 109.943 108.800 -0.235 0.000 2.176 154 G HA2 -0.227 3.733 3.960 0.000 0.000 0.253 154 G HA3 -0.227 3.733 3.960 0.000 0.000 0.253 154 G C -0.132 174.726 174.900 -0.070 0.000 0.979 154 G CA 0.276 45.275 45.100 -0.169 0.000 0.641 154 G HN 0.611 nan 8.290 nan 0.000 0.530 155 K N 1.339 121.711 120.400 -0.047 0.000 2.156 155 K HA 0.535 4.855 4.320 0.000 0.000 0.250 155 K C -2.426 174.285 176.600 0.185 0.000 0.955 155 K CA -2.029 54.312 56.287 0.090 0.000 0.855 155 K CB 2.175 34.769 32.500 0.157 0.000 1.101 155 K HN 0.039 nan 8.250 nan 0.000 0.434 156 P HA -0.009 nan 4.420 nan 0.000 0.271 156 P C -0.325 177.135 177.300 0.267 0.000 1.216 156 P CA -0.203 63.007 63.100 0.182 0.000 0.776 156 P CB 0.667 32.440 31.700 0.122 0.000 0.881 157 G N 2.115 111.040 108.800 0.208 0.000 2.370 157 G HA2 0.422 4.382 3.960 0.000 0.000 0.272 157 G HA3 0.422 4.382 3.960 0.000 0.000 0.272 157 G C -0.532 174.431 174.900 0.105 0.000 1.208 157 G CA -0.383 44.838 45.100 0.202 0.000 0.856 157 G HN 0.358 nan 8.290 nan 0.000 0.500 158 V N 3.024 123.020 119.914 0.137 0.000 2.398 158 V HA 0.397 4.517 4.120 0.000 0.000 0.286 158 V C -0.014 176.191 176.094 0.184 0.000 1.026 158 V CA -0.604 61.785 62.300 0.148 0.000 0.868 158 V CB 1.458 33.384 31.823 0.171 0.000 0.982 158 V HN 0.509 nan 8.190 nan 0.000 0.443 159 V N 6.019 126.041 119.914 0.180 0.000 2.555 159 V HA 0.555 4.675 4.120 0.000 0.000 0.302 159 V C -0.620 175.627 176.094 0.255 0.000 1.038 159 V CA -0.654 61.749 62.300 0.173 0.000 0.887 159 V CB 1.880 33.755 31.823 0.087 0.000 0.991 159 V HN 0.656 nan 8.190 nan 0.000 0.434 160 L N 6.958 128.319 121.223 0.230 0.000 2.427 160 L HA 0.761 5.101 4.340 0.000 0.000 0.264 160 L C -0.452 176.613 176.870 0.325 0.000 0.989 160 L CA -0.074 54.919 54.840 0.255 0.000 0.865 160 L CB 1.462 43.611 42.059 0.150 0.000 1.209 160 L HN 0.587 nan 8.230 nan 0.000 0.430 161 V N 0.693 120.756 119.914 0.248 0.000 3.155 161 V HA 0.746 4.866 4.120 0.000 0.000 0.313 161 V C 0.117 176.305 176.094 0.157 0.000 1.162 161 V CA -0.459 61.972 62.300 0.219 0.000 1.048 161 V CB 1.564 33.462 31.823 0.125 0.000 1.092 161 V HN 0.624 nan 8.190 nan 0.000 0.447 162 T N 0.602 115.214 114.554 0.096 0.000 2.852 162 T HA 0.508 4.858 4.350 0.000 0.000 0.281 162 T C 0.620 175.315 174.700 -0.009 0.000 0.993 162 T CA 0.374 62.496 62.100 0.036 0.000 0.933 162 T CB 1.063 69.930 68.868 -0.001 0.000 1.187 162 T HN 1.539 nan 8.240 nan 0.000 0.559 163 S N -0.127 115.548 115.700 -0.042 0.000 2.640 163 S HA 0.569 5.039 4.470 0.000 0.000 0.262 163 S C 1.370 175.902 174.600 -0.113 0.000 1.232 163 S CA -0.029 58.128 58.200 -0.072 0.000 0.988 163 S CB -0.255 62.896 63.200 -0.082 0.000 1.034 163 S HN 1.575 nan 8.310 nan 0.000 0.569 164 G N 1.567 110.293 108.800 -0.123 0.000 2.665 164 G HA2 -0.304 3.656 3.960 0.000 0.000 0.326 164 G HA3 -0.304 3.656 3.960 0.000 0.000 0.326 164 G C -0.943 173.883 174.900 -0.124 0.000 1.231 164 G CA 0.499 45.513 45.100 -0.143 0.000 0.992 164 G HN 0.759 nan 8.290 nan 0.000 0.549 165 P HA -0.046 nan 4.420 nan 0.000 0.220 165 P C 1.890 179.108 177.300 -0.136 0.000 1.148 165 P CA 2.583 65.605 63.100 -0.131 0.000 0.803 165 P CB -0.690 30.925 31.700 -0.141 0.000 0.782 166 G N 0.528 109.256 108.800 -0.120 0.000 2.402 166 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 166 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 166 G C 1.802 176.659 174.900 -0.071 0.000 1.162 166 G CA 0.954 45.996 45.100 -0.097 0.000 0.777 166 G HN 0.375 nan 8.290 nan 0.000 0.539 167 A N 0.813 123.594 122.820 -0.065 0.000 1.898 167 A HA 0.036 4.357 4.320 0.000 0.000 0.214 167 A C 2.638 180.183 177.584 -0.065 0.000 1.183 167 A CA 2.450 54.453 52.037 -0.057 0.000 0.622 167 A CB -1.015 17.950 19.000 -0.058 0.000 0.824 167 A HN 0.490 nan 8.150 nan 0.000 0.444 168 T N -1.951 112.559 114.554 -0.072 0.000 2.915 168 T HA -0.130 4.220 4.350 0.000 0.000 0.269 168 T C 1.395 176.065 174.700 -0.050 0.000 1.071 168 T CA 1.572 63.634 62.100 -0.064 0.000 1.132 168 T CB -0.805 68.024 68.868 -0.064 0.000 0.878 168 T HN 0.583 nan 8.240 nan 0.000 0.479 169 N N 1.064 119.730 118.700 -0.057 0.000 2.550 169 N HA 0.027 4.767 4.740 0.000 0.000 0.186 169 N C 1.422 176.925 175.510 -0.012 0.000 1.110 169 N CA 0.795 53.837 53.050 -0.014 0.000 0.912 169 N CB 0.039 38.459 38.487 -0.112 0.000 0.968 169 N HN 0.537 nan 8.380 nan 0.000 0.448 170 V N -3.546 116.340 119.914 -0.048 0.000 3.483 170 V HA 0.195 4.315 4.120 0.000 0.000 0.301 170 V C 1.541 177.589 176.094 -0.078 0.000 1.389 170 V CA -0.052 62.206 62.300 -0.071 0.000 1.101 170 V CB 0.058 31.845 31.823 -0.060 0.000 0.971 170 V HN -0.108 nan 8.190 nan 0.000 0.434 171 V N 1.261 121.136 119.914 -0.065 0.000 2.343 171 V HA -0.210 3.910 4.120 0.000 0.000 0.247 171 V C 2.765 178.825 176.094 -0.057 0.000 1.051 171 V CA 2.972 65.232 62.300 -0.067 0.000 1.036 171 V CB -1.040 30.745 31.823 -0.063 0.000 0.654 171 V HN 0.656 nan 8.190 nan 0.000 0.451 172 T N 0.277 114.803 114.554 -0.047 0.000 2.708 172 T HA -0.109 4.241 4.350 0.000 0.000 0.266 172 T C -0.030 174.665 174.700 -0.009 0.000 1.037 172 T CA 2.030 64.121 62.100 -0.016 0.000 1.146 172 T CB -1.127 67.750 68.868 0.015 0.000 0.865 172 T HN 0.423 nan 8.240 nan 0.000 0.435 173 P HA 0.009 nan 4.420 nan 0.000 0.216 173 P C 1.601 178.891 177.300 -0.017 0.000 1.150 173 P CA 1.125 64.147 63.100 -0.130 0.000 0.837 173 P CB -0.115 31.385 31.700 -0.332 0.000 0.786 174 M N -1.282 118.295 119.600 -0.037 0.000 2.099 174 M HA -0.101 4.379 4.480 0.000 0.000 0.262 174 M C 2.163 178.482 176.300 0.031 0.000 1.067 174 M CA 1.931 57.224 55.300 -0.013 0.000 1.124 174 M CB -0.887 31.680 32.600 -0.055 0.000 1.353 174 M HN -0.101 nan 8.290 nan 0.000 0.410 175 A N -0.018 122.805 122.820 0.004 0.000 1.972 175 A HA -0.218 4.102 4.320 0.000 0.000 0.219 175 A C 1.914 179.550 177.584 0.086 0.000 1.169 175 A CA 1.927 53.983 52.037 0.031 0.000 0.635 175 A CB -0.840 18.154 19.000 -0.012 0.000 0.810 175 A HN 0.553 nan 8.150 nan 0.000 0.446 176 D N 0.001 120.436 120.400 0.059 0.000 2.123 176 D HA -0.046 4.594 4.640 0.000 0.000 0.200 176 D C 2.067 178.381 176.300 0.023 0.000 0.976 176 D CA 1.264 55.280 54.000 0.027 0.000 0.831 176 D CB -0.032 40.804 40.800 0.060 0.000 0.974 176 D HN 0.336 nan 8.370 nan 0.000 0.469 177 A N 0.013 122.872 122.820 0.065 0.000 1.969 177 A HA -0.109 4.211 4.320 0.000 0.000 0.218 177 A C 1.991 179.621 177.584 0.077 0.000 1.169 177 A CA 0.586 52.657 52.037 0.058 0.000 0.635 177 A CB -0.894 18.145 19.000 0.064 0.000 0.810 177 A HN 0.351 nan 8.150 nan 0.000 0.445 178 F N 0.888 120.819 119.950 -0.032 0.000 2.146 178 F HA -0.004 4.523 4.527 0.000 0.000 0.298 178 F C 2.498 178.279 175.800 -0.031 0.000 1.096 178 F CA 1.080 59.063 58.000 -0.028 0.000 1.275 178 F CB -0.350 38.634 39.000 -0.027 0.000 1.008 178 F HN 0.238 nan 8.300 nan 0.000 0.480 179 A N -0.620 122.240 122.820 0.066 0.000 1.930 179 A HA -0.152 4.168 4.320 0.000 0.000 0.217 179 A C 1.620 179.140 177.584 -0.106 0.000 1.175 179 A CA 1.937 53.952 52.037 -0.036 0.000 0.627 179 A CB -0.704 18.298 19.000 0.002 0.000 0.815 179 A HN 0.387 nan 8.150 nan 0.000 0.443 180 D N -1.229 119.114 120.400 -0.096 0.000 2.349 180 D HA 0.295 4.935 4.640 0.000 0.000 0.214 180 D C 1.064 177.306 176.300 -0.096 0.000 1.063 180 D CA 0.896 54.831 54.000 -0.107 0.000 0.847 180 D CB 0.016 40.739 40.800 -0.129 0.000 0.933 180 D HN 0.522 nan 8.370 nan 0.000 0.513 181 G N 1.609 110.340 108.800 -0.114 0.000 2.314 181 G HA2 -0.284 3.676 3.960 0.000 0.000 0.292 181 G HA3 -0.284 3.676 3.960 0.000 0.000 0.292 181 G C 0.128 175.000 174.900 -0.048 0.000 1.059 181 G CA -0.144 44.896 45.100 -0.100 0.000 0.982 181 G HN 0.362 nan 8.290 nan 0.000 0.505 182 I N 1.668 122.223 120.570 -0.025 0.000 2.336 182 I HA 0.296 4.466 4.170 0.000 0.000 0.292 182 I C -1.697 174.428 176.117 0.014 0.000 0.991 182 I CA -2.593 58.710 61.300 0.004 0.000 1.227 182 I CB 1.903 39.918 38.000 0.024 0.000 1.366 182 I HN -0.034 nan 8.210 nan 0.000 0.466 183 P HA 0.160 nan 4.420 nan 0.000 0.271 183 P C -0.956 176.351 177.300 0.010 0.000 1.233 183 P CA -0.138 62.969 63.100 0.013 0.000 0.764 183 P CB 1.197 32.912 31.700 0.025 0.000 0.825 184 M N 3.705 123.286 119.600 -0.031 0.000 2.365 184 M HA 0.322 4.803 4.480 0.000 0.000 0.287 184 M C -1.978 174.224 176.300 -0.163 0.000 1.154 184 M CA -0.805 54.460 55.300 -0.059 0.000 0.941 184 M CB 2.408 34.992 32.600 -0.025 0.000 1.704 184 M HN -0.062 nan 8.290 nan 0.000 0.479 185 V N 4.881 124.643 119.914 -0.253 0.000 2.350 185 V HA 0.451 4.571 4.120 0.000 0.000 0.285 185 V C -0.727 175.140 176.094 -0.378 0.000 1.014 185 V CA -0.699 61.329 62.300 -0.453 0.000 0.831 185 V CB 1.505 32.822 31.823 -0.842 0.000 1.000 185 V HN 0.652 nan 8.190 nan 0.000 0.433 186 V N 5.896 125.589 119.914 -0.368 0.000 2.350 186 V HA 0.464 4.584 4.120 0.000 0.000 0.276 186 V C -0.440 175.457 176.094 -0.328 0.000 1.028 186 V CA -0.309 61.854 62.300 -0.229 0.000 0.860 186 V CB 0.978 32.721 31.823 -0.133 0.000 0.990 186 V HN 0.647 nan 8.190 nan 0.000 0.453 187 F N 3.169 123.143 119.950 0.041 0.000 2.404 187 F HA 0.538 5.065 4.527 0.000 0.000 0.354 187 F C 0.788 176.593 175.800 0.009 0.000 1.122 187 F CA -0.490 57.538 58.000 0.046 0.000 1.080 187 F CB 1.844 40.901 39.000 0.096 0.000 1.131 187 F HN 0.496 nan 8.300 nan 0.000 0.471 188 T N 0.320 114.954 114.554 0.134 0.000 2.792 188 T HA 0.671 5.021 4.350 0.000 0.000 0.280 188 T C 0.234 174.967 174.700 0.055 0.000 0.990 188 T CA -0.946 61.196 62.100 0.070 0.000 0.960 188 T CB 1.411 70.282 68.868 0.006 0.000 0.939 188 T HN 0.762 nan 8.240 nan 0.000 0.439 189 G N 1.496 110.324 108.800 0.046 0.000 2.544 189 G HA2 0.466 4.426 3.960 0.000 0.000 0.242 189 G HA3 0.466 4.426 3.960 0.000 0.000 0.242 189 G C -0.532 174.368 174.900 -0.000 0.000 1.247 189 G CA -0.201 44.913 45.100 0.023 0.000 0.840 189 G HN 0.861 nan 8.290 nan 0.000 0.578 190 Q N -0.458 119.339 119.800 -0.004 0.000 2.456 190 Q HA 0.500 4.840 4.340 0.000 0.000 0.283 190 Q C -0.053 175.940 176.000 -0.012 0.000 1.084 190 Q CA -0.742 55.051 55.803 -0.017 0.000 0.801 190 Q CB 1.995 30.724 28.738 -0.015 0.000 1.434 190 Q HN 0.942 nan 8.270 nan 0.000 0.419 191 V N 0.198 120.103 119.914 -0.016 0.000 3.287 191 V HA 0.502 4.622 4.120 0.000 0.000 0.306 191 V C -2.206 173.891 176.094 0.005 0.000 1.103 191 V CA -1.368 60.932 62.300 -0.000 0.000 1.159 191 V CB -0.309 31.515 31.823 0.001 0.000 1.036 191 V HN 0.784 nan 8.190 nan 0.000 0.487 192 P HA 0.077 nan 4.420 nan 0.000 0.265 192 P C 1.234 178.539 177.300 0.008 0.000 1.187 192 P CA 0.896 64.003 63.100 0.012 0.000 0.766 192 P CB 0.355 32.064 31.700 0.015 0.000 0.820 193 T N -1.117 113.441 114.554 0.008 0.000 2.778 193 T HA -0.217 4.133 4.350 0.000 0.000 0.269 193 T C 1.611 176.314 174.700 0.005 0.000 1.050 193 T CA 1.828 63.931 62.100 0.006 0.000 1.137 193 T CB -1.132 67.741 68.868 0.009 0.000 0.860 193 T HN 0.456 nan 8.240 nan 0.000 0.468 194 S N 1.246 116.950 115.700 0.007 0.000 2.489 194 S HA 0.410 4.880 4.470 0.000 0.000 0.228 194 S C 2.074 176.679 174.600 0.007 0.000 0.995 194 S CA 0.257 58.461 58.200 0.007 0.000 0.934 194 S CB -0.371 62.833 63.200 0.008 0.000 0.771 194 S HN 0.753 nan 8.310 nan 0.000 0.522 195 A N 0.710 123.536 122.820 0.009 0.000 2.303 195 A HA 0.497 4.817 4.320 0.000 0.000 0.217 195 A C 0.703 178.291 177.584 0.007 0.000 1.205 195 A CA -0.461 51.583 52.037 0.012 0.000 0.875 195 A CB -0.293 18.719 19.000 0.021 0.000 0.910 195 A HN 0.534 nan 8.150 nan 0.000 0.501 196 I N 0.579 121.150 120.570 0.001 0.000 2.683 196 I HA 0.246 4.416 4.170 0.000 0.000 0.286 196 I C 1.510 177.623 176.117 -0.006 0.000 1.175 196 I CA 1.418 62.714 61.300 -0.006 0.000 1.429 196 I CB 0.423 38.417 38.000 -0.010 0.000 1.371 196 I HN 0.457 nan 8.210 nan 0.000 0.569 197 G N 3.851 112.646 108.800 -0.009 0.000 2.141 197 G HA2 -0.274 3.686 3.960 0.000 0.000 0.242 197 G HA3 -0.274 3.686 3.960 0.000 0.000 0.242 197 G C 0.600 175.498 174.900 -0.004 0.000 0.982 197 G CA 0.422 45.517 45.100 -0.009 0.000 0.662 197 G HN 0.772 nan 8.290 nan 0.000 0.527 198 T N -2.294 112.260 114.554 0.000 0.000 3.085 198 T HA 0.401 4.751 4.350 0.000 0.000 0.264 198 T C 0.528 175.234 174.700 0.009 0.000 1.019 198 T CA 0.852 62.955 62.100 0.005 0.000 0.910 198 T CB 0.232 69.105 68.868 0.009 0.000 1.059 198 T HN 0.519 nan 8.240 nan 0.000 0.542 199 D N 1.266 121.669 120.400 0.005 0.000 2.716 199 D HA -0.115 4.525 4.640 0.000 0.000 0.239 199 D C 0.441 176.758 176.300 0.028 0.000 1.125 199 D CA 0.838 54.843 54.000 0.009 0.000 0.681 199 D CB -1.570 39.235 40.800 0.009 0.000 1.070 199 D HN 0.824 nan 8.370 nan 0.000 0.432 200 A N -0.039 122.799 122.820 0.030 0.000 2.327 200 A HA 0.436 4.756 4.320 0.000 0.000 0.255 200 A C 0.367 178.012 177.584 0.101 0.000 1.099 200 A CA -0.423 51.654 52.037 0.066 0.000 0.801 200 A CB 0.291 19.323 19.000 0.053 0.000 1.062 200 A HN 0.198 nan 8.150 nan 0.000 0.496 201 F N 0.787 120.728 119.950 -0.015 0.000 2.602 201 F HA 0.114 4.641 4.527 0.000 0.000 0.385 201 F C 1.238 177.027 175.800 -0.018 0.000 1.063 201 F CA 1.132 59.122 58.000 -0.016 0.000 1.233 201 F CB -0.368 38.622 39.000 -0.016 0.000 1.067 201 F HN 0.778 nan 8.300 nan 0.000 0.564 202 Q N 1.924 121.351 119.800 -0.622 0.000 2.457 202 Q HA -0.311 4.029 4.340 0.000 0.000 0.283 202 Q C -0.194 175.654 176.000 -0.254 0.000 1.234 202 Q CA 1.212 56.688 55.803 -0.544 0.000 0.877 202 Q CB -1.286 26.982 28.738 -0.783 0.000 1.250 202 Q HN 0.820 nan 8.270 nan 0.000 0.481 203 E N -0.134 119.978 120.200 -0.147 0.000 2.216 203 E HA 0.651 5.001 4.350 0.000 0.000 0.279 203 E C -0.871 175.681 176.600 -0.080 0.000 0.997 203 E CA 0.103 56.450 56.400 -0.087 0.000 0.817 203 E CB 1.089 30.763 29.700 -0.044 0.000 1.096 203 E HN 0.312 nan 8.360 nan 0.000 0.393 204 A N 3.725 126.501 122.820 -0.073 0.000 2.549 204 A HA 0.236 4.556 4.320 0.000 0.000 0.297 204 A C -1.129 176.418 177.584 -0.062 0.000 1.061 204 A CA -0.800 51.197 52.037 -0.068 0.000 0.690 204 A CB 1.664 20.618 19.000 -0.077 0.000 1.287 204 A HN 0.672 nan 8.150 nan 0.000 0.402 205 D N 2.563 122.928 120.400 -0.059 0.000 2.608 205 D HA 0.254 4.894 4.640 0.000 0.000 0.224 205 D C 1.095 177.352 176.300 -0.072 0.000 1.123 205 D CA 0.036 53.999 54.000 -0.060 0.000 1.030 205 D CB 0.064 40.831 40.800 -0.055 0.000 1.093 205 D HN 0.125 nan 8.370 nan 0.000 0.497 206 V N 2.267 122.136 119.914 -0.076 0.000 2.407 206 V HA -0.209 3.912 4.120 0.000 0.000 0.248 206 V C 2.510 178.541 176.094 -0.105 0.000 1.055 206 V CA 0.969 63.218 62.300 -0.086 0.000 1.049 206 V CB -0.260 31.515 31.823 -0.081 0.000 0.662 206 V HN 0.386 nan 8.190 nan 0.000 0.455 207 V N 1.011 120.859 119.914 -0.110 0.000 2.490 207 V HA -0.153 3.967 4.120 0.000 0.000 0.250 207 V C 2.529 178.547 176.094 -0.126 0.000 1.061 207 V CA 2.144 64.362 62.300 -0.137 0.000 1.064 207 V CB -1.134 30.604 31.823 -0.141 0.000 0.670 207 V HN 0.613 nan 8.190 nan 0.000 0.461 208 G N -0.407 108.333 108.800 -0.100 0.000 2.395 208 G HA2 -0.134 3.827 3.960 0.000 0.000 0.214 208 G HA3 -0.134 3.827 3.960 0.000 0.000 0.214 208 G C 1.568 176.411 174.900 -0.094 0.000 1.177 208 G CA 0.650 45.696 45.100 -0.090 0.000 0.794 208 G HN 0.456 nan 8.290 nan 0.000 0.532 209 I N 1.870 122.385 120.570 -0.092 0.000 2.208 209 I HA -0.183 3.987 4.170 0.000 0.000 0.245 209 I C 2.777 178.826 176.117 -0.115 0.000 1.097 209 I CA 1.664 62.908 61.300 -0.093 0.000 1.363 209 I CB -0.116 37.834 38.000 -0.084 0.000 1.051 209 I HN 0.329 nan 8.210 nan 0.000 0.413 210 S N 0.205 115.828 115.700 -0.129 0.000 2.631 210 S HA 0.040 4.510 4.470 0.000 0.000 0.217 210 S C 1.838 176.324 174.600 -0.191 0.000 0.958 210 S CA -0.273 57.833 58.200 -0.157 0.000 0.920 210 S CB -0.230 62.881 63.200 -0.148 0.000 0.776 210 S HN 0.324 nan 8.310 nan 0.000 0.517 211 R N 2.149 122.547 120.500 -0.170 0.000 2.096 211 R HA -0.140 4.200 4.340 0.000 0.000 0.240 211 R C 2.291 178.459 176.300 -0.220 0.000 1.139 211 R CA 2.081 58.080 56.100 -0.169 0.000 0.952 211 R CB -0.625 29.599 30.300 -0.125 0.000 0.854 211 R HN 0.646 nan 8.270 nan 0.000 0.436 212 S N -0.748 114.809 115.700 -0.238 0.000 2.522 212 S HA -0.074 4.396 4.470 0.000 0.000 0.227 212 S C 1.679 175.892 174.600 -0.646 0.000 0.986 212 S CA 0.532 58.541 58.200 -0.317 0.000 0.929 212 S CB -0.346 62.733 63.200 -0.201 0.000 0.769 212 S HN 0.588 nan 8.310 nan 0.000 0.529 213 C N 1.256 120.183 119.300 -0.622 0.000 2.742 213 C HA 0.641 5.101 4.460 0.000 0.000 0.283 213 C C 0.531 175.121 174.990 -0.667 0.000 1.451 213 C CA -0.374 58.144 59.018 -0.834 0.000 1.785 213 C CB -1.619 25.907 27.740 -0.357 0.000 2.664 213 C HN 0.524 nan 8.230 nan 0.000 0.544 214 T N -3.204 111.003 114.554 -0.579 0.000 2.916 214 T HA 0.442 4.792 4.350 0.000 0.000 0.305 214 T C 0.226 174.997 174.700 0.118 0.000 1.119 214 T CA -0.542 61.498 62.100 -0.100 0.000 1.008 214 T CB 1.681 70.496 68.868 -0.090 0.000 1.129 214 T HN 0.201 nan 8.240 nan 0.000 0.480 215 K N -0.132 120.473 120.400 0.341 0.000 2.283 215 K HA 0.125 4.445 4.320 0.000 0.000 0.202 215 K C -0.191 176.612 176.600 0.339 0.000 1.048 215 K CA 0.744 57.249 56.287 0.364 0.000 0.948 215 K CB 0.134 32.781 32.500 0.246 0.000 0.742 215 K HN 0.678 nan 8.250 nan 0.000 0.458 216 W N 0.636 121.950 121.300 0.025 0.000 3.319 216 W HA 0.155 4.815 4.660 0.000 0.000 0.300 216 W C -2.220 174.274 176.519 -0.041 0.000 1.244 216 W CA -0.934 56.407 57.345 -0.007 0.000 1.193 216 W CB 0.752 30.212 29.460 0.000 0.000 1.359 216 W HN 0.007 nan 8.180 nan 0.000 0.568 217 N N 2.814 121.060 118.700 -0.756 0.000 2.732 217 N HA 0.789 5.529 4.740 0.000 0.000 0.259 217 N C -2.222 172.603 175.510 -1.142 0.000 1.402 217 N CA -0.623 51.958 53.050 -0.781 0.000 0.829 217 N CB 2.261 40.513 38.487 -0.393 0.000 1.495 217 N HN 0.761 nan 8.380 nan 0.000 0.511 218 V N -0.787 118.668 119.914 -0.765 0.000 3.236 218 V HA 0.568 4.688 4.120 0.000 0.000 0.287 218 V C -1.763 174.168 176.094 -0.272 0.000 1.491 218 V CA -0.883 61.081 62.300 -0.559 0.000 1.037 218 V CB 2.109 33.535 31.823 -0.661 0.000 1.160 218 V HN 0.921 nan 8.190 nan 0.000 0.453 219 M N 4.922 124.427 119.600 -0.159 0.000 2.167 219 M HA 0.591 5.071 4.480 0.000 0.000 0.333 219 M C -1.287 175.000 176.300 -0.022 0.000 1.030 219 M CA -0.665 54.590 55.300 -0.076 0.000 0.963 219 M CB 1.522 34.085 32.600 -0.063 0.000 1.589 219 M HN 0.583 nan 8.290 nan 0.000 0.431 220 V N 6.780 126.706 119.914 0.020 0.000 2.446 220 V HA 0.055 4.175 4.120 0.000 0.000 0.276 220 V C 0.838 176.957 176.094 0.041 0.000 1.030 220 V CA 0.380 62.714 62.300 0.056 0.000 1.033 220 V CB 0.435 32.316 31.823 0.097 0.000 0.993 220 V HN 0.914 nan 8.190 nan 0.000 0.477 221 K N 2.717 123.142 120.400 0.041 0.000 2.314 221 K HA 0.109 4.429 4.320 0.000 0.000 0.198 221 K C 0.648 177.271 176.600 0.038 0.000 1.045 221 K CA 0.673 56.979 56.287 0.032 0.000 0.988 221 K CB 0.342 32.860 32.500 0.029 0.000 0.783 221 K HN 0.786 nan 8.250 nan 0.000 0.484 222 S N -1.501 114.229 115.700 0.050 0.000 2.570 222 S HA 0.156 4.626 4.470 0.000 0.000 0.270 222 S C 0.490 175.127 174.600 0.061 0.000 1.149 222 S CA -0.970 57.259 58.200 0.049 0.000 0.837 222 S CB 1.698 64.926 63.200 0.047 0.000 1.124 222 S HN -0.162 nan 8.310 nan 0.000 0.465 223 V N 1.305 121.252 119.914 0.055 0.000 2.490 223 V HA -0.106 4.014 4.120 0.000 0.000 0.250 223 V C 2.128 178.269 176.094 0.079 0.000 1.061 223 V CA 2.538 64.874 62.300 0.060 0.000 1.064 223 V CB -1.054 30.795 31.823 0.044 0.000 0.670 223 V HN 0.960 nan 8.190 nan 0.000 0.461 224 E N 0.297 120.543 120.200 0.078 0.000 2.160 224 E HA -0.206 4.145 4.350 0.000 0.000 0.195 224 E C 2.025 178.687 176.600 0.104 0.000 0.991 224 E CA 1.672 58.126 56.400 0.090 0.000 0.810 224 E CB -0.125 29.618 29.700 0.072 0.000 0.742 224 E HN 0.744 nan 8.360 nan 0.000 0.466 225 E N -0.421 119.840 120.200 0.101 0.000 2.474 225 E HA 0.012 4.362 4.350 0.000 0.000 0.195 225 E C 1.373 178.059 176.600 0.143 0.000 1.039 225 E CA -0.233 56.237 56.400 0.117 0.000 0.881 225 E CB 0.198 29.962 29.700 0.107 0.000 0.970 225 E HN 0.092 nan 8.360 nan 0.000 0.486 226 L N 2.071 123.378 121.223 0.139 0.000 1.989 226 L HA -0.122 4.218 4.340 0.000 0.000 0.211 226 L C -0.943 176.039 176.870 0.187 0.000 1.071 226 L CA 2.228 57.165 54.840 0.162 0.000 0.749 226 L CB -0.954 41.181 42.059 0.127 0.000 0.890 226 L HN 0.010 nan 8.230 nan 0.000 0.431 227 P HA -0.173 nan 4.420 nan 0.000 0.215 227 P C 1.961 179.370 177.300 0.182 0.000 1.153 227 P CA 1.249 64.469 63.100 0.201 0.000 0.853 227 P CB -0.128 31.736 31.700 0.273 0.000 0.788 228 L N -0.594 120.728 121.223 0.166 0.000 2.017 228 L HA -0.149 4.192 4.340 0.000 0.000 0.208 228 L C 2.204 179.191 176.870 0.196 0.000 1.073 228 L CA 2.024 56.953 54.840 0.150 0.000 0.745 228 L CB -0.789 41.347 42.059 0.129 0.000 0.894 228 L HN -0.213 nan 8.230 nan 0.000 0.432 229 R N -0.095 120.552 120.500 0.244 0.000 2.096 229 R HA -0.042 4.298 4.340 0.000 0.000 0.235 229 R C 2.319 178.848 176.300 0.382 0.000 1.127 229 R CA 1.743 58.048 56.100 0.342 0.000 0.968 229 R CB -1.014 29.470 30.300 0.306 0.000 0.861 229 R HN 0.476 nan 8.270 nan 0.000 0.440 230 I N 1.397 122.187 120.570 0.367 0.000 2.179 230 I HA -0.274 3.896 4.170 0.000 0.000 0.242 230 I C 1.756 178.140 176.117 0.445 0.000 1.088 230 I CA 1.153 62.738 61.300 0.476 0.000 1.357 230 I CB -0.332 37.899 38.000 0.385 0.000 1.051 230 I HN 0.126 nan 8.210 nan 0.000 0.409 231 N N 0.830 119.693 118.700 0.271 0.000 2.120 231 N HA -0.182 4.558 4.740 0.000 0.000 0.188 231 N C 1.695 177.304 175.510 0.165 0.000 1.024 231 N CA 1.320 54.486 53.050 0.193 0.000 0.852 231 N CB -0.259 38.290 38.487 0.104 0.000 1.003 231 N HN 0.471 nan 8.380 nan 0.000 0.424 232 E N 0.782 121.050 120.200 0.113 0.000 2.106 232 E HA -0.051 4.299 4.350 0.000 0.000 0.192 232 E C 1.977 178.530 176.600 -0.078 0.000 0.984 232 E CA 0.902 57.255 56.400 -0.079 0.000 0.806 232 E CB -0.057 29.502 29.700 -0.234 0.000 0.750 232 E HN 0.330 nan 8.360 nan 0.000 0.458 233 A N 1.057 123.990 122.820 0.188 0.000 1.858 233 A HA -0.179 4.141 4.320 0.000 0.000 0.216 233 A C 1.918 179.527 177.584 0.041 0.000 1.190 233 A CA 1.248 53.410 52.037 0.208 0.000 0.617 233 A CB -0.855 18.255 19.000 0.183 0.000 0.827 233 A HN 0.172 nan 8.150 nan 0.000 0.443 234 F N -0.106 119.887 119.950 0.072 0.000 2.171 234 F HA -0.117 4.410 4.527 0.000 0.000 0.300 234 F C 2.392 178.201 175.800 0.015 0.000 1.090 234 F CA 1.757 59.786 58.000 0.050 0.000 1.293 234 F CB -0.189 38.846 39.000 0.059 0.000 1.013 234 F HN 0.431 nan 8.300 nan 0.000 0.486 235 E N 0.656 120.949 120.200 0.155 0.000 2.072 235 E HA -0.180 4.170 4.350 0.000 0.000 0.191 235 E C 2.250 178.845 176.600 -0.008 0.000 0.985 235 E CA 1.295 57.727 56.400 0.053 0.000 0.801 235 E CB -0.206 29.495 29.700 0.002 0.000 0.750 235 E HN 0.405 nan 8.360 nan 0.000 0.452 236 I N 0.933 121.466 120.570 -0.063 0.000 2.315 236 I HA -0.203 3.967 4.170 0.000 0.000 0.248 236 I C 2.538 178.647 176.117 -0.014 0.000 1.117 236 I CA 0.859 62.111 61.300 -0.079 0.000 1.404 236 I CB -0.272 37.629 38.000 -0.166 0.000 1.071 236 I HN 0.186 nan 8.210 nan 0.000 0.419 237 A N 0.592 123.408 122.820 -0.006 0.000 1.933 237 A HA -0.200 4.120 4.320 0.000 0.000 0.218 237 A C 2.271 179.857 177.584 0.004 0.000 1.175 237 A CA 2.292 54.322 52.037 -0.011 0.000 0.628 237 A CB -0.927 18.022 19.000 -0.084 0.000 0.814 237 A HN 0.513 nan 8.150 nan 0.000 0.444 238 T N -2.430 112.137 114.554 0.021 0.000 3.069 238 T HA 0.296 4.646 4.350 0.000 0.000 0.252 238 T C 0.704 175.415 174.700 0.018 0.000 1.053 238 T CA 0.507 62.625 62.100 0.031 0.000 0.964 238 T CB -0.430 68.476 68.868 0.064 0.000 1.005 238 T HN 0.526 nan 8.240 nan 0.000 0.532 239 S N -0.287 115.417 115.700 0.007 0.000 2.747 239 S HA 0.782 5.252 4.470 0.000 0.000 0.300 239 S C 1.136 175.733 174.600 -0.005 0.000 1.121 239 S CA -0.239 57.962 58.200 0.001 0.000 0.995 239 S CB 0.910 64.105 63.200 -0.009 0.000 1.113 239 S HN 0.975 nan 8.310 nan 0.000 0.547 240 G N 1.418 110.216 108.800 -0.003 0.000 2.634 240 G HA2 -0.333 3.627 3.960 0.000 0.000 0.309 240 G HA3 -0.333 3.627 3.960 0.000 0.000 0.309 240 G C -0.087 174.807 174.900 -0.011 0.000 1.265 240 G CA 0.543 45.639 45.100 -0.007 0.000 0.998 240 G HN 1.042 nan 8.290 nan 0.000 0.551 241 R N 1.743 122.227 120.500 -0.027 0.000 2.216 241 R HA 0.446 4.786 4.340 0.000 0.000 0.332 241 R C -2.238 174.037 176.300 -0.042 0.000 1.056 241 R CA -1.449 54.627 56.100 -0.041 0.000 0.901 241 R CB 0.637 30.894 30.300 -0.071 0.000 1.039 241 R HN 0.261 nan 8.270 nan 0.000 0.456 242 P HA 0.104 nan 4.420 nan 0.000 0.269 242 P C -0.577 176.703 177.300 -0.035 0.000 1.211 242 P CA 0.101 63.189 63.100 -0.019 0.000 0.781 242 P CB 0.846 32.543 31.700 -0.006 0.000 0.877 243 G N 0.719 109.515 108.800 -0.008 0.000 2.495 243 G HA2 0.486 4.446 3.960 0.000 0.000 0.294 243 G HA3 0.486 4.446 3.960 0.000 0.000 0.294 243 G C -3.330 171.602 174.900 0.052 0.000 1.397 243 G CA -0.908 44.200 45.100 0.014 0.000 0.790 243 G HN 0.269 nan 8.290 nan 0.000 0.486 244 P HA 0.607 nan 4.420 nan 0.000 0.281 244 P C -0.848 176.487 177.300 0.058 0.000 1.249 244 P CA -0.444 62.689 63.100 0.055 0.000 0.810 244 P CB 2.316 34.053 31.700 0.062 0.000 1.008 245 V N 2.991 122.891 119.914 -0.024 0.000 2.925 245 V HA 0.452 4.572 4.120 0.000 0.000 0.311 245 V C -0.188 175.820 176.094 -0.144 0.000 1.104 245 V CA -0.875 61.417 62.300 -0.013 0.000 0.954 245 V CB 2.408 34.274 31.823 0.072 0.000 1.022 245 V HN 0.476 nan 8.190 nan 0.000 0.427 246 L N 3.626 124.743 121.223 -0.176 0.000 2.362 246 L HA 0.820 5.160 4.340 0.000 0.000 0.275 246 L C -1.381 175.319 176.870 -0.284 0.000 0.998 246 L CA -0.454 54.242 54.840 -0.239 0.000 0.820 246 L CB 1.987 43.931 42.059 -0.191 0.000 1.270 246 L HN 0.474 nan 8.230 nan 0.000 0.415 247 V N 3.418 123.163 119.914 -0.282 0.000 2.376 247 V HA 0.307 4.427 4.120 0.000 0.000 0.287 247 V C -0.752 175.329 176.094 -0.022 0.000 1.015 247 V CA -0.604 61.603 62.300 -0.155 0.000 0.834 247 V CB 1.425 33.199 31.823 -0.082 0.000 1.001 247 V HN 0.654 nan 8.190 nan 0.000 0.428 248 D N 4.359 124.733 120.400 -0.043 0.000 2.312 248 D HA 0.418 5.058 4.640 0.000 0.000 0.252 248 D C -0.435 175.889 176.300 0.040 0.000 1.150 248 D CA 0.125 54.118 54.000 -0.011 0.000 0.870 248 D CB 1.085 41.852 40.800 -0.055 0.000 1.153 248 D HN 0.424 nan 8.370 nan 0.000 0.457 249 L N 6.008 127.266 121.223 0.057 0.000 2.356 249 L HA 0.366 4.706 4.340 0.000 0.000 0.264 249 L C -2.190 174.694 176.870 0.023 0.000 1.029 249 L CA -1.963 52.911 54.840 0.056 0.000 0.897 249 L CB 1.519 43.615 42.059 0.062 0.000 1.256 249 L HN 0.170 nan 8.230 nan 0.000 0.444 250 P HA -0.045 nan 4.420 nan 0.000 0.265 250 P C 0.550 177.855 177.300 0.009 0.000 1.193 250 P CA -0.079 63.027 63.100 0.010 0.000 0.765 250 P CB 0.755 32.461 31.700 0.011 0.000 0.823 251 K N 4.239 124.643 120.400 0.006 0.000 2.074 251 K HA -0.227 4.093 4.320 0.000 0.000 0.209 251 K C 1.055 177.659 176.600 0.006 0.000 1.048 251 K CA 2.291 58.581 56.287 0.005 0.000 0.926 251 K CB -0.641 31.865 32.500 0.010 0.000 0.713 251 K HN 0.548 nan 8.250 nan 0.000 0.444 252 D N -0.057 120.349 120.400 0.009 0.000 2.264 252 D HA -0.101 4.539 4.640 0.000 0.000 0.208 252 D C 1.967 178.274 176.300 0.012 0.000 0.966 252 D CA 0.586 54.592 54.000 0.010 0.000 0.864 252 D CB -0.352 40.455 40.800 0.011 0.000 0.933 252 D HN 0.086 nan 8.370 nan 0.000 0.499 253 V N 1.419 121.342 119.914 0.015 0.000 2.407 253 V HA -0.167 3.953 4.120 0.000 0.000 0.245 253 V C 2.807 178.910 176.094 0.016 0.000 1.041 253 V CA 2.150 64.463 62.300 0.021 0.000 1.040 253 V CB -0.655 31.187 31.823 0.032 0.000 0.671 253 V HN 0.470 nan 8.190 nan 0.000 0.455 254 T N -1.575 112.982 114.554 0.005 0.000 3.023 254 T HA 0.061 4.411 4.350 0.000 0.000 0.266 254 T C 1.735 176.428 174.700 -0.012 0.000 1.093 254 T CA 1.123 63.217 62.100 -0.010 0.000 1.129 254 T CB -0.111 68.734 68.868 -0.039 0.000 0.899 254 T HN 0.403 nan 8.240 nan 0.000 0.491 255 A N 1.389 124.206 122.820 -0.005 0.000 2.081 255 A HA 0.720 5.040 4.320 0.000 0.000 0.214 255 A C 1.596 179.179 177.584 -0.001 0.000 1.158 255 A CA 0.306 52.339 52.037 -0.005 0.000 0.724 255 A CB -0.765 18.233 19.000 -0.003 0.000 0.826 255 A HN 0.748 nan 8.150 nan 0.000 0.463 256 A N 0.009 122.832 122.820 0.004 0.000 2.445 256 A HA 0.496 4.816 4.320 0.000 0.000 0.242 256 A C 0.040 177.629 177.584 0.008 0.000 1.075 256 A CA -0.010 52.033 52.037 0.009 0.000 0.777 256 A CB -0.146 18.864 19.000 0.015 0.000 1.013 256 A HN 0.390 nan 8.150 nan 0.000 0.493 257 I N 1.667 122.244 120.570 0.012 0.000 2.385 257 I HA 0.159 4.330 4.170 0.000 0.000 0.294 257 I C -0.130 176.002 176.117 0.025 0.000 0.988 257 I CA -0.641 60.667 61.300 0.014 0.000 1.265 257 I CB 1.484 39.492 38.000 0.014 0.000 1.388 257 I HN 0.608 nan 8.210 nan 0.000 0.480 258 L N 7.530 128.773 121.223 0.034 0.000 2.369 258 L HA 0.211 4.551 4.340 0.000 0.000 0.279 258 L C 0.654 177.556 176.870 0.054 0.000 1.108 258 L CA 0.671 55.543 54.840 0.054 0.000 0.852 258 L CB -0.071 42.038 42.059 0.084 0.000 1.169 258 L HN 0.531 nan 8.230 nan 0.000 0.452 259 R N 3.172 123.700 120.500 0.046 0.000 2.509 259 R HA 0.339 4.679 4.340 0.000 0.000 0.300 259 R C -0.553 175.771 176.300 0.039 0.000 0.985 259 R CA -0.235 55.889 56.100 0.039 0.000 1.092 259 R CB 0.203 30.520 30.300 0.029 0.000 1.237 259 R HN 0.620 nan 8.270 nan 0.000 0.546 260 N N 1.032 119.760 118.700 0.047 0.000 2.249 260 N HA 0.331 5.071 4.740 0.000 0.000 0.296 260 N C -2.867 172.673 175.510 0.050 0.000 1.051 260 N CA -1.702 51.374 53.050 0.043 0.000 0.815 260 N CB 2.373 40.884 38.487 0.040 0.000 1.487 260 N HN -0.234 nan 8.380 nan 0.000 0.475 261 P HA 0.300 nan 4.420 nan 0.000 0.272 261 P C -0.442 176.878 177.300 0.033 0.000 1.223 261 P CA -0.138 62.981 63.100 0.031 0.000 0.784 261 P CB 0.696 32.405 31.700 0.015 0.000 0.923 262 I N -2.065 118.523 120.570 0.029 0.000 2.934 262 I HA 0.622 4.792 4.170 0.000 0.000 0.306 262 I C -2.863 173.259 176.117 0.009 0.000 1.110 262 I CA -3.650 57.670 61.300 0.034 0.000 1.019 262 I CB 2.146 40.187 38.000 0.068 0.000 1.227 262 I HN 0.028 nan 8.210 nan 0.000 0.434 263 P HA 0.046 nan 4.420 nan 0.000 0.262 263 P C 0.477 177.768 177.300 -0.014 0.000 1.182 263 P CA 0.305 63.407 63.100 0.003 0.000 0.761 263 P CB 0.563 32.272 31.700 0.014 0.000 0.795 264 T N 1.495 116.031 114.554 -0.031 0.000 2.881 264 T HA -0.192 4.159 4.350 0.000 0.000 0.270 264 T C 2.089 176.768 174.700 -0.036 0.000 1.068 264 T CA 2.058 64.126 62.100 -0.053 0.000 1.131 264 T CB -0.459 68.377 68.868 -0.054 0.000 0.871 264 T HN 0.479 nan 8.240 nan 0.000 0.479 265 K N 1.586 121.976 120.400 -0.016 0.000 2.057 265 K HA -0.122 4.198 4.320 0.000 0.000 0.207 265 K C 2.423 179.027 176.600 0.006 0.000 1.049 265 K CA 1.990 58.273 56.287 -0.007 0.000 0.931 265 K CB -1.805 30.694 32.500 -0.001 0.000 0.714 265 K HN 0.679 nan 8.250 nan 0.000 0.440 266 T N -1.540 113.025 114.554 0.018 0.000 3.051 266 T HA -0.101 4.249 4.350 0.000 0.000 0.269 266 T C 1.793 176.527 174.700 0.058 0.000 1.127 266 T CA 1.743 63.871 62.100 0.045 0.000 1.107 266 T CB -0.556 68.350 68.868 0.063 0.000 0.898 266 T HN 0.580 nan 8.240 nan 0.000 0.517 267 T N -0.834 113.734 114.554 0.022 0.000 3.054 267 T HA 0.432 4.782 4.350 0.000 0.000 0.255 267 T C 0.339 175.038 174.700 -0.001 0.000 1.035 267 T CA -0.567 61.546 62.100 0.022 0.000 0.941 267 T CB -0.276 68.531 68.868 -0.102 0.000 1.026 267 T HN 0.369 nan 8.240 nan 0.000 0.533 268 L N 2.482 123.701 121.223 -0.008 0.000 2.287 268 L HA 0.516 4.857 4.340 0.000 0.000 0.287 268 L C -2.223 174.644 176.870 -0.005 0.000 1.022 268 L CA -2.462 52.369 54.840 -0.016 0.000 0.814 268 L CB 1.280 43.325 42.059 -0.025 0.000 1.217 268 L HN -0.023 nan 8.230 nan 0.000 0.420 279 R N 3.127 123.641 120.500 0.024 0.000 2.091 279 R HA -0.080 4.260 4.340 0.000 0.000 0.238 279 R C 2.108 178.431 176.300 0.039 0.000 1.136 279 R CA 2.093 58.210 56.100 0.028 0.000 0.959 279 R CB -0.612 29.700 30.300 0.021 0.000 0.856 279 R HN 0.738 nan 8.270 nan 0.000 0.437 280 A N 0.458 123.299 122.820 0.036 0.000 1.933 280 A HA -0.238 4.082 4.320 0.000 0.000 0.218 280 A C 2.043 179.679 177.584 0.086 0.000 1.175 280 A CA 1.602 53.667 52.037 0.047 0.000 0.628 280 A CB -0.505 18.507 19.000 0.020 0.000 0.814 280 A HN 0.428 nan 8.150 nan 0.000 0.444 281 Q N 0.417 120.263 119.800 0.077 0.000 1.990 281 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 281 Q C 1.488 177.579 176.000 0.153 0.000 0.980 281 Q CA 2.096 57.975 55.803 0.127 0.000 0.832 281 Q CB -0.409 28.376 28.738 0.078 0.000 0.897 281 Q HN 0.618 nan 8.270 nan 0.000 0.427 282 D N 0.124 120.577 120.400 0.087 0.000 2.158 282 D HA -0.200 4.440 4.640 0.000 0.000 0.197 282 D C 1.585 177.916 176.300 0.053 0.000 0.995 282 D CA 1.381 55.417 54.000 0.060 0.000 0.846 282 D CB -0.061 40.763 40.800 0.040 0.000 0.941 282 D HN 0.522 nan 8.370 nan 0.000 0.456 283 E N -0.562 119.682 120.200 0.072 0.000 2.152 283 E HA -0.146 4.204 4.350 0.000 0.000 0.192 283 E C 1.868 178.516 176.600 0.080 0.000 0.983 283 E CA 0.296 56.733 56.400 0.062 0.000 0.818 283 E CB -0.081 29.659 29.700 0.065 0.000 0.758 283 E HN 0.175 nan 8.360 nan 0.000 0.467 284 F N 0.303 120.247 119.950 -0.010 0.000 2.146 284 F HA -0.131 4.396 4.527 0.000 0.000 0.298 284 F C 1.813 177.600 175.800 -0.022 0.000 1.096 284 F CA 0.962 58.953 58.000 -0.016 0.000 1.275 284 F CB -0.360 38.629 39.000 -0.018 0.000 1.008 284 F HN -0.132 nan 8.300 nan 0.000 0.480 285 V N 0.528 120.325 119.914 -0.195 0.000 2.343 285 V HA -0.317 3.803 4.120 0.000 0.000 0.247 285 V C 2.420 178.368 176.094 -0.244 0.000 1.051 285 V CA 2.058 64.187 62.300 -0.285 0.000 1.036 285 V CB -0.717 31.058 31.823 -0.079 0.000 0.654 285 V HN 0.452 nan 8.190 nan 0.000 0.451 286 M N -0.080 119.442 119.600 -0.131 0.000 2.213 286 M HA -0.188 4.292 4.480 0.000 0.000 0.263 286 M C 2.085 178.310 176.300 -0.125 0.000 1.062 286 M CA 1.731 56.976 55.300 -0.091 0.000 1.105 286 M CB -0.669 31.908 32.600 -0.038 0.000 1.385 286 M HN 0.360 nan 8.290 nan 0.000 0.417 287 Q N -0.839 118.861 119.800 -0.166 0.000 2.050 287 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 287 Q C 2.101 177.968 176.000 -0.222 0.000 0.980 287 Q CA 2.224 57.932 55.803 -0.158 0.000 0.840 287 Q CB -0.398 28.263 28.738 -0.127 0.000 0.898 287 Q HN 0.762 nan 8.270 nan 0.000 0.424 288 S N 0.467 115.934 115.700 -0.388 0.000 2.399 288 S HA -0.120 4.350 4.470 0.000 0.000 0.231 288 S C 1.943 176.395 174.600 -0.247 0.000 1.022 288 S CA 0.792 58.776 58.200 -0.360 0.000 0.983 288 S CB -0.450 62.434 63.200 -0.526 0.000 0.803 288 S HN 0.274 nan 8.310 nan 0.000 0.480 289 I N 2.381 122.829 120.570 -0.204 0.000 2.252 289 I HA -0.169 4.001 4.170 0.000 0.000 0.245 289 I C 2.360 178.430 176.117 -0.077 0.000 1.102 289 I CA 1.160 62.394 61.300 -0.110 0.000 1.385 289 I CB -0.545 37.424 38.000 -0.052 0.000 1.064 289 I HN 0.305 nan 8.210 nan 0.000 0.414 290 N N 0.978 119.627 118.700 -0.084 0.000 2.166 290 N HA -0.204 4.536 4.740 0.000 0.000 0.186 290 N C 1.777 177.241 175.510 -0.077 0.000 1.019 290 N CA 1.195 54.205 53.050 -0.067 0.000 0.856 290 N CB -0.261 38.194 38.487 -0.054 0.000 0.993 290 N HN 0.345 nan 8.380 nan 0.000 0.426 291 K N 0.693 121.038 120.400 -0.090 0.000 2.097 291 K HA 0.046 4.366 4.320 0.000 0.000 0.205 291 K C 1.854 178.406 176.600 -0.079 0.000 1.050 291 K CA 0.980 57.217 56.287 -0.082 0.000 0.938 291 K CB 0.019 32.464 32.500 -0.091 0.000 0.718 291 K HN 0.094 nan 8.250 nan 0.000 0.442 292 A N 0.826 123.593 122.820 -0.089 0.000 1.929 292 A HA -0.032 4.288 4.320 0.000 0.000 0.216 292 A C 2.251 179.819 177.584 -0.027 0.000 1.176 292 A CA 1.565 53.567 52.037 -0.058 0.000 0.628 292 A CB -0.589 18.363 19.000 -0.080 0.000 0.816 292 A HN 0.417 nan 8.150 nan 0.000 0.444 293 A N 0.278 123.069 122.820 -0.048 0.000 1.902 293 A HA -0.170 4.150 4.320 0.000 0.000 0.217 293 A C 1.753 179.239 177.584 -0.163 0.000 1.181 293 A CA 1.823 53.804 52.037 -0.093 0.000 0.623 293 A CB -0.577 18.356 19.000 -0.112 0.000 0.818 293 A HN 0.442 nan 8.150 nan 0.000 0.443 294 D N -0.392 119.923 120.400 -0.143 0.000 2.123 294 D HA -0.137 4.503 4.640 0.000 0.000 0.196 294 D C 1.792 178.029 176.300 -0.104 0.000 0.992 294 D CA 1.150 55.064 54.000 -0.144 0.000 0.833 294 D CB -0.383 40.365 40.800 -0.085 0.000 0.954 294 D HN 0.316 nan 8.370 nan 0.000 0.455 295 L N 0.762 121.943 121.223 -0.069 0.000 2.056 295 L HA -0.038 4.303 4.340 0.000 0.000 0.207 295 L C 2.189 179.035 176.870 -0.040 0.000 1.078 295 L CA 1.127 55.941 54.840 -0.043 0.000 0.749 295 L CB -0.420 41.624 42.059 -0.025 0.000 0.901 295 L HN -0.001 nan 8.230 nan 0.000 0.433 296 I N -0.358 120.188 120.570 -0.040 0.000 2.226 296 I HA -0.283 3.887 4.170 0.000 0.000 0.245 296 I C 1.736 177.820 176.117 -0.055 0.000 1.100 296 I CA 0.957 62.241 61.300 -0.025 0.000 1.374 296 I CB -0.458 37.539 38.000 -0.005 0.000 1.057 296 I HN 0.337 nan 8.210 nan 0.000 0.413 297 N N 0.564 119.187 118.700 -0.129 0.000 2.520 297 N HA -0.111 4.629 4.740 0.000 0.000 0.185 297 N C 1.593 177.088 175.510 -0.026 0.000 1.068 297 N CA 0.956 53.922 53.050 -0.139 0.000 0.911 297 N CB 0.007 38.219 38.487 -0.457 0.000 0.961 297 N HN 0.254 nan 8.380 nan 0.000 0.446 298 L N 0.382 121.584 121.223 -0.035 0.000 2.513 298 L HA 0.312 4.652 4.340 0.000 0.000 0.222 298 L C 0.569 177.423 176.870 -0.026 0.000 1.096 298 L CA 0.094 54.926 54.840 -0.014 0.000 0.857 298 L CB -0.416 41.631 42.059 -0.020 0.000 1.026 298 L HN -0.099 nan 8.230 nan 0.000 0.469 299 A N -0.456 122.343 122.820 -0.035 0.000 2.462 299 A HA 0.243 4.563 4.320 0.000 0.000 0.243 299 A C 1.008 178.542 177.584 -0.085 0.000 1.076 299 A CA 0.053 52.053 52.037 -0.062 0.000 0.773 299 A CB 0.223 19.193 19.000 -0.051 0.000 1.010 299 A HN 0.165 nan 8.150 nan 0.000 0.493 300 K N 0.782 121.092 120.400 -0.150 0.000 2.399 300 K HA 0.136 4.456 4.320 0.000 0.000 0.196 300 K C -0.112 176.256 176.600 -0.386 0.000 1.103 300 K CA 0.829 57.006 56.287 -0.183 0.000 0.986 300 K CB 0.571 32.981 32.500 -0.150 0.000 0.952 300 K HN 0.713 nan 8.250 nan 0.000 0.541 301 K N 1.843 121.893 120.400 -0.584 0.000 3.146 301 K HA 0.224 4.544 4.320 0.000 0.000 0.168 301 K C -2.748 173.398 176.600 -0.757 0.000 1.075 301 K CA -1.199 54.269 56.287 -1.365 0.000 0.843 301 K CB 2.025 33.553 32.500 -1.621 0.000 1.002 301 K HN -0.021 nan 8.250 nan 0.000 0.597 302 P HA 0.210 nan 4.420 nan 0.000 0.279 302 P C -0.417 177.073 177.300 0.316 0.000 1.252 302 P CA -0.484 62.648 63.100 0.053 0.000 0.811 302 P CB 1.645 33.388 31.700 0.071 0.000 1.035 303 V N -0.319 119.738 119.914 0.240 0.000 2.777 303 V HA 0.485 4.605 4.120 0.000 0.000 0.306 303 V C -0.846 175.340 176.094 0.153 0.000 1.112 303 V CA -1.003 61.443 62.300 0.243 0.000 0.917 303 V CB 1.597 33.577 31.823 0.261 0.000 1.018 303 V HN 0.298 nan 8.190 nan 0.000 0.426 304 L N 5.206 126.481 121.223 0.086 0.000 2.265 304 L HA 0.488 4.828 4.340 0.000 0.000 0.288 304 L C -0.902 176.011 176.870 0.072 0.000 1.058 304 L CA -0.612 54.255 54.840 0.044 0.000 0.809 304 L CB 1.219 43.241 42.059 -0.062 0.000 1.179 304 L HN 0.882 nan 8.230 nan 0.000 0.429 305 Y N 5.568 125.847 120.300 -0.035 0.000 2.491 305 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 305 Y C -0.983 174.868 175.900 -0.082 0.000 0.969 305 Y CA -1.203 56.855 58.100 -0.069 0.000 1.241 305 Y CB 0.732 39.144 38.460 -0.080 0.000 1.105 305 Y HN 0.184 nan 8.280 nan 0.000 0.503 306 V N 6.204 126.032 119.914 -0.143 0.000 2.483 306 V HA 0.878 4.998 4.120 0.000 0.000 0.295 306 V C 0.495 176.457 176.094 -0.219 0.000 1.035 306 V CA -0.079 62.089 62.300 -0.219 0.000 0.896 306 V CB 1.160 32.910 31.823 -0.122 0.000 0.986 306 V HN 0.955 nan 8.190 nan 0.000 0.447 307 G N 1.621 110.280 108.800 -0.236 0.000 3.211 307 G HA2 0.588 4.548 3.960 0.000 0.000 0.262 307 G HA3 0.588 4.548 3.960 0.000 0.000 0.262 307 G C 0.850 175.690 174.900 -0.100 0.000 1.352 307 G CA 0.026 45.026 45.100 -0.167 0.000 1.004 307 G HN 0.865 nan 8.290 nan 0.000 0.559 308 A N -0.795 121.978 122.820 -0.078 0.000 2.032 308 A HA 0.039 4.359 4.320 0.000 0.000 0.221 308 A C 2.533 180.100 177.584 -0.028 0.000 1.165 308 A CA 2.636 54.643 52.037 -0.050 0.000 0.645 308 A CB -1.109 17.862 19.000 -0.049 0.000 0.807 308 A HN 1.360 nan 8.150 nan 0.000 0.453 309 G N -0.163 108.616 108.800 -0.035 0.000 2.475 309 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 309 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 309 G C 1.377 176.280 174.900 0.004 0.000 1.125 309 G CA 1.214 46.307 45.100 -0.011 0.000 0.755 309 G HN 0.508 nan 8.290 nan 0.000 0.565 310 I N 0.423 120.981 120.570 -0.020 0.000 2.756 310 I HA 0.080 4.250 4.170 0.000 0.000 0.262 310 I C 2.133 178.265 176.117 0.025 0.000 1.225 310 I CA 0.523 61.815 61.300 -0.012 0.000 1.472 310 I CB 0.026 38.002 38.000 -0.040 0.000 1.094 310 I HN 0.109 nan 8.210 nan 0.000 0.454 311 L N 0.011 121.248 121.223 0.023 0.000 2.591 311 L HA 0.083 4.423 4.340 0.000 0.000 0.228 311 L C 1.178 178.174 176.870 0.210 0.000 1.133 311 L CA 0.103 54.977 54.840 0.056 0.000 0.880 311 L CB -0.570 41.471 42.059 -0.031 0.000 1.033 311 L HN 0.150 nan 8.230 nan 0.000 0.450 312 N N -0.789 117.995 118.700 0.140 0.000 2.370 312 N HA -0.013 4.727 4.740 0.000 0.000 0.198 312 N C -0.142 175.455 175.510 0.144 0.000 1.156 312 N CA 0.411 53.536 53.050 0.125 0.000 0.839 312 N CB 0.028 38.560 38.487 0.075 0.000 0.989 312 N HN 0.238 nan 8.380 nan 0.000 0.468 313 H N -0.681 118.435 119.070 0.077 0.000 2.856 313 H HA 0.366 4.922 4.556 0.000 0.000 0.355 313 H C 0.244 175.623 175.328 0.085 0.000 1.079 313 H CA -0.533 55.551 56.048 0.060 0.000 1.240 313 H CB 1.822 31.606 29.762 0.036 0.000 1.701 313 H HN -0.064 nan 8.280 nan 0.000 0.527 314 A N 3.168 126.086 122.820 0.163 0.000 2.024 314 A HA -0.155 4.165 4.320 0.000 0.000 0.220 314 A C 1.169 178.913 177.584 0.266 0.000 1.164 314 A CA 1.824 53.982 52.037 0.202 0.000 0.643 314 A CB -0.020 19.024 19.000 0.073 0.000 0.806 314 A HN 0.690 nan 8.150 nan 0.000 0.451 315 D N -0.804 119.859 120.400 0.437 0.000 2.349 315 D HA 0.127 4.767 4.640 0.000 0.000 0.214 315 D C 1.802 178.131 176.300 0.048 0.000 1.063 315 D CA 0.757 54.859 54.000 0.169 0.000 0.847 315 D CB -0.279 40.573 40.800 0.087 0.000 0.933 315 D HN 0.396 nan 8.370 nan 0.000 0.513 316 G N 2.508 111.357 108.800 0.081 0.000 2.514 316 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 316 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 316 G C -0.644 174.264 174.900 0.013 0.000 1.198 316 G CA 0.551 45.657 45.100 0.011 0.000 0.780 316 G HN 0.272 nan 8.290 nan 0.000 0.565 317 P HA -0.101 nan 4.420 nan 0.000 0.216 317 P C 1.955 179.284 177.300 0.048 0.000 1.153 317 P CA 1.287 64.415 63.100 0.048 0.000 0.858 317 P CB -0.082 31.638 31.700 0.033 0.000 0.789 318 R N -0.160 120.361 120.500 0.035 0.000 2.073 318 R HA -0.104 4.236 4.340 0.000 0.000 0.234 318 R C 2.201 178.514 176.300 0.022 0.000 1.134 318 R CA 1.435 57.552 56.100 0.028 0.000 0.952 318 R CB -0.914 29.403 30.300 0.029 0.000 0.850 318 R HN 0.176 nan 8.270 nan 0.000 0.433 319 L N 0.780 122.002 121.223 -0.002 0.000 2.141 319 L HA -0.173 4.167 4.340 0.000 0.000 0.209 319 L C 2.488 179.350 176.870 -0.014 0.000 1.094 319 L CA 0.418 55.243 54.840 -0.024 0.000 0.763 319 L CB -0.443 41.571 42.059 -0.075 0.000 0.908 319 L HN 0.281 nan 8.230 nan 0.000 0.437 320 L N 0.565 121.791 121.223 0.006 0.000 2.017 320 L HA -0.227 4.113 4.340 0.000 0.000 0.208 320 L C 2.571 179.518 176.870 0.128 0.000 1.073 320 L CA 1.910 56.770 54.840 0.034 0.000 0.745 320 L CB -0.640 41.463 42.059 0.073 0.000 0.894 320 L HN 0.126 nan 8.230 nan 0.000 0.432 321 K N -0.540 119.964 120.400 0.175 0.000 2.063 321 K HA -0.266 4.054 4.320 0.000 0.000 0.208 321 K C 2.168 178.850 176.600 0.136 0.000 1.048 321 K CA 1.866 58.279 56.287 0.209 0.000 0.928 321 K CB -0.263 32.285 32.500 0.079 0.000 0.713 321 K HN 0.573 nan 8.250 nan 0.000 0.442 322 E N 0.333 120.580 120.200 0.077 0.000 2.051 322 E HA -0.217 4.134 4.350 0.000 0.000 0.192 322 E C 2.070 178.707 176.600 0.062 0.000 0.991 322 E CA 1.175 57.610 56.400 0.058 0.000 0.799 322 E CB -0.075 29.644 29.700 0.031 0.000 0.748 322 E HN 0.278 nan 8.360 nan 0.000 0.449 323 L N 0.600 121.850 121.223 0.045 0.000 2.017 323 L HA -0.151 4.189 4.340 0.000 0.000 0.208 323 L C 2.433 179.346 176.870 0.072 0.000 1.073 323 L CA 2.214 57.075 54.840 0.035 0.000 0.745 323 L CB -0.918 41.132 42.059 -0.015 0.000 0.894 323 L HN 0.043 nan 8.230 nan 0.000 0.432 324 S N -0.779 114.983 115.700 0.103 0.000 2.359 324 S HA -0.216 4.254 4.470 0.000 0.000 0.224 324 S C 1.721 176.425 174.600 0.173 0.000 1.035 324 S CA 1.741 60.027 58.200 0.143 0.000 1.018 324 S CB -0.466 62.866 63.200 0.220 0.000 0.876 324 S HN 0.629 nan 8.310 nan 0.000 0.448 325 D N 0.575 121.071 120.400 0.160 0.000 2.123 325 D HA -0.039 4.601 4.640 0.000 0.000 0.200 325 D C 2.175 178.542 176.300 0.113 0.000 0.976 325 D CA 0.783 54.868 54.000 0.142 0.000 0.831 325 D CB -0.433 40.434 40.800 0.111 0.000 0.974 325 D HN 0.417 nan 8.370 nan 0.000 0.469 326 R N 0.591 121.148 120.500 0.094 0.000 2.073 326 R HA -0.054 4.286 4.340 0.000 0.000 0.234 326 R C 1.602 177.954 176.300 0.086 0.000 1.134 326 R CA 1.624 57.772 56.100 0.080 0.000 0.952 326 R CB -0.054 30.287 30.300 0.068 0.000 0.850 326 R HN 0.095 nan 8.270 nan 0.000 0.433 327 A N -0.110 122.765 122.820 0.093 0.000 2.345 327 A HA 0.115 4.435 4.320 0.000 0.000 0.225 327 A C -0.206 177.449 177.584 0.118 0.000 1.243 327 A CA -0.227 51.866 52.037 0.094 0.000 0.875 327 A CB 0.477 19.525 19.000 0.079 0.000 0.929 327 A HN 0.415 nan 8.150 nan 0.000 0.502 328 Q N -0.505 119.385 119.800 0.150 0.000 2.453 328 Q HA -0.175 4.165 4.340 0.000 0.000 0.330 328 Q C -0.780 175.434 176.000 0.357 0.000 1.417 328 Q CA 1.000 56.943 55.803 0.234 0.000 0.902 328 Q CB -1.776 27.001 28.738 0.065 0.000 1.154 328 Q HN 0.747 nan 8.270 nan 0.000 0.395 329 I N 1.931 122.677 120.570 0.294 0.000 2.362 329 I HA 0.326 4.496 4.170 0.000 0.000 0.289 329 I C -1.747 174.479 176.117 0.183 0.000 0.994 329 I CA -2.147 59.319 61.300 0.278 0.000 1.158 329 I CB 1.751 39.849 38.000 0.163 0.000 1.315 329 I HN -0.070 nan 8.210 nan 0.000 0.451 330 P HA 0.125 nan 4.420 nan 0.000 0.271 330 P C -0.774 176.443 177.300 -0.138 0.000 1.218 330 P CA -0.129 62.929 63.100 -0.070 0.000 0.780 330 P CB 1.525 33.120 31.700 -0.176 0.000 0.901 331 V N 2.113 121.823 119.914 -0.340 0.000 2.448 331 V HA 0.435 4.555 4.120 0.000 0.000 0.295 331 V C 0.519 176.440 176.094 -0.287 0.000 1.025 331 V CA -0.275 61.742 62.300 -0.471 0.000 0.859 331 V CB 1.642 32.721 31.823 -1.240 0.000 0.988 331 V HN 0.651 nan 8.190 nan 0.000 0.431 332 T N 3.119 117.595 114.554 -0.131 0.000 2.856 332 T HA 0.740 5.090 4.350 0.000 0.000 0.283 332 T C -0.239 174.469 174.700 0.014 0.000 1.008 332 T CA -0.132 61.949 62.100 -0.032 0.000 0.997 332 T CB 1.530 70.404 68.868 0.010 0.000 0.992 332 T HN 0.982 nan 8.240 nan 0.000 0.454 333 T N 0.681 115.259 114.554 0.040 0.000 2.924 333 T HA 0.707 5.057 4.350 0.000 0.000 0.291 333 T C 0.578 175.319 174.700 0.068 0.000 1.045 333 T CA -0.587 61.539 62.100 0.043 0.000 1.015 333 T CB 1.266 70.149 68.868 0.025 0.000 1.103 333 T HN 0.789 nan 8.240 nan 0.000 0.496 334 T N 0.174 114.765 114.554 0.061 0.000 2.729 334 T HA 0.301 4.651 4.350 0.000 0.000 0.298 334 T C 1.394 176.106 174.700 0.021 0.000 1.013 334 T CA -0.559 61.580 62.100 0.064 0.000 0.957 334 T CB 0.293 69.191 68.868 0.050 0.000 1.130 334 T HN 0.569 nan 8.240 nan 0.000 0.526 335 L N 0.378 121.616 121.223 0.024 0.000 2.079 335 L HA -0.063 4.277 4.340 0.000 0.000 0.210 335 L C 2.495 179.378 176.870 0.022 0.000 1.081 335 L CA 1.709 56.575 54.840 0.043 0.000 0.752 335 L CB -0.790 41.295 42.059 0.045 0.000 0.896 335 L HN 0.595 nan 8.230 nan 0.000 0.433 336 Q N -0.740 119.041 119.800 -0.032 0.000 2.444 336 Q HA 0.129 4.469 4.340 0.000 0.000 0.206 336 Q C 1.706 177.668 176.000 -0.063 0.000 0.948 336 Q CA 0.882 56.645 55.803 -0.068 0.000 0.946 336 Q CB 0.152 28.839 28.738 -0.085 0.000 1.027 336 Q HN 0.631 nan 8.270 nan 0.000 0.513 337 G N -0.218 108.549 108.800 -0.055 0.000 3.126 337 G HA2 0.178 4.138 3.960 0.000 0.000 0.224 337 G HA3 0.178 4.138 3.960 0.000 0.000 0.224 337 G C 0.486 175.348 174.900 -0.064 0.000 1.142 337 G CA -0.328 44.737 45.100 -0.058 0.000 0.759 337 G HN 0.145 nan 8.290 nan 0.000 0.550 338 L N 0.873 122.020 121.223 -0.126 0.000 2.559 338 L HA 0.338 4.678 4.340 0.000 0.000 0.274 338 L C 1.613 178.346 176.870 -0.228 0.000 1.205 338 L CA 1.278 55.950 54.840 -0.280 0.000 0.907 338 L CB 0.694 42.276 42.059 -0.794 0.000 1.153 338 L HN 0.337 nan 8.230 nan 0.000 0.490 339 G N 1.345 110.140 108.800 -0.009 0.000 2.232 339 G HA2 -0.326 3.634 3.960 0.000 0.000 0.226 339 G HA3 -0.326 3.634 3.960 0.000 0.000 0.226 339 G C 0.987 175.922 174.900 0.059 0.000 0.996 339 G CA 0.424 45.583 45.100 0.097 0.000 0.626 339 G HN 0.704 nan 8.290 nan 0.000 0.509 340 S N -1.107 114.617 115.700 0.039 0.000 2.489 340 S HA 0.505 4.975 4.470 0.000 0.000 0.228 340 S C 0.523 175.220 174.600 0.162 0.000 0.995 340 S CA 0.828 59.056 58.200 0.046 0.000 0.934 340 S CB 0.148 63.361 63.200 0.021 0.000 0.771 340 S HN 0.991 nan 8.310 nan 0.000 0.522 341 F N 2.246 122.209 119.950 0.021 0.000 2.529 341 F HA 0.486 5.013 4.527 0.000 0.000 0.320 341 F C -0.806 175.035 175.800 0.068 0.000 1.118 341 F CA -1.607 56.414 58.000 0.035 0.000 0.915 341 F CB 1.752 40.768 39.000 0.028 0.000 1.161 341 F HN -0.073 nan 8.300 nan 0.000 0.445 342 D N 4.240 124.342 120.400 -0.497 0.000 2.363 342 D HA 0.041 4.681 4.640 0.000 0.000 0.263 342 D C 0.654 176.856 176.300 -0.163 0.000 1.258 342 D CA 0.568 54.403 54.000 -0.275 0.000 0.907 342 D CB 0.976 41.584 40.800 -0.320 0.000 1.107 342 D HN 0.681 nan 8.370 nan 0.000 0.495 343 Q N 2.392 122.222 119.800 0.050 0.000 2.488 343 Q HA -0.073 4.267 4.340 0.000 0.000 0.211 343 Q C 0.727 176.753 176.000 0.044 0.000 0.967 343 Q CA 0.543 56.416 55.803 0.117 0.000 0.926 343 Q CB 0.425 29.261 28.738 0.164 0.000 0.992 343 Q HN 0.562 nan 8.270 nan 0.000 0.506 344 E N 0.783 120.974 120.200 -0.015 0.000 2.435 344 E HA -0.033 4.317 4.350 0.000 0.000 0.195 344 E C 0.171 176.755 176.600 -0.027 0.000 1.029 344 E CA 0.245 56.629 56.400 -0.026 0.000 0.865 344 E CB 0.096 29.771 29.700 -0.043 0.000 0.833 344 E HN 0.299 nan 8.360 nan 0.000 0.510 345 D N 0.939 121.312 120.400 -0.045 0.000 2.350 345 D HA 0.018 4.658 4.640 0.000 0.000 0.249 345 D C -1.738 174.591 176.300 0.050 0.000 1.119 345 D CA -1.886 52.102 54.000 -0.021 0.000 0.886 345 D CB 1.845 42.579 40.800 -0.109 0.000 1.195 345 D HN -0.182 nan 8.370 nan 0.000 0.437 346 P HA -0.105 nan 4.420 nan 0.000 0.218 346 P C 0.656 177.923 177.300 -0.056 0.000 1.148 346 P CA 1.284 64.381 63.100 -0.004 0.000 0.822 346 P CB 0.250 31.958 31.700 0.012 0.000 0.784 347 K N -0.661 119.753 120.400 0.022 0.000 2.525 347 K HA 0.086 4.406 4.320 0.000 0.000 0.192 347 K C 0.800 177.423 176.600 0.037 0.000 1.029 347 K CA 0.079 56.335 56.287 -0.051 0.000 1.029 347 K CB -0.132 32.424 32.500 0.094 0.000 0.814 347 K HN 0.057 nan 8.250 nan 0.000 0.503 348 S N 0.901 116.723 115.700 0.203 0.000 2.528 348 S HA 0.181 4.651 4.470 0.000 0.000 0.277 348 S C 0.790 175.408 174.600 0.029 0.000 1.297 348 S CA -0.546 57.790 58.200 0.226 0.000 1.052 348 S CB 0.512 63.922 63.200 0.349 0.000 0.917 348 S HN 0.206 nan 8.310 nan 0.000 0.492 349 L N 3.552 124.762 121.223 -0.021 0.000 2.693 349 L HA 0.311 4.651 4.340 0.000 0.000 0.235 349 L C 0.967 177.831 176.870 -0.011 0.000 1.127 349 L CA -0.012 54.799 54.840 -0.049 0.000 0.914 349 L CB -0.482 41.530 42.059 -0.078 0.000 1.193 349 L HN 0.811 nan 8.230 nan 0.000 0.502 350 D N 0.099 120.533 120.400 0.056 0.000 3.876 350 D HA -0.262 4.378 4.640 0.000 0.000 0.275 350 D C -0.263 176.094 176.300 0.094 0.000 2.055 350 D CA 0.702 54.770 54.000 0.113 0.000 1.173 350 D CB -0.088 40.777 40.800 0.108 0.000 0.929 350 D HN -0.009 nan 8.370 nan 0.000 1.134 351 M N 1.107 120.791 119.600 0.141 0.000 2.242 351 M HA 0.426 4.906 4.480 0.000 0.000 0.344 351 M C 0.128 176.468 176.300 0.067 0.000 1.140 351 M CA -0.308 55.057 55.300 0.108 0.000 1.160 351 M CB 0.567 33.245 32.600 0.130 0.000 1.491 351 M HN 0.362 nan 8.290 nan 0.000 0.459 352 L N 2.434 123.680 121.223 0.039 0.000 2.298 352 L HA 1.107 5.447 4.340 0.000 0.000 0.268 352 L C -0.080 176.790 176.870 0.001 0.000 1.010 352 L CA -0.187 54.650 54.840 -0.005 0.000 0.812 352 L CB 1.551 43.588 42.059 -0.036 0.000 1.331 352 L HN 0.842 nan 8.230 nan 0.000 0.450 353 G N 0.097 108.883 108.800 -0.023 0.000 2.409 353 G HA2 -0.217 3.743 3.960 0.000 0.000 0.421 353 G HA3 -0.217 3.743 3.960 0.000 0.000 0.421 353 G C 0.043 174.921 174.900 -0.036 0.000 1.259 353 G CA 0.023 45.108 45.100 -0.025 0.000 1.011 353 G HN 1.072 nan 8.290 nan 0.000 0.497 354 M N -0.821 118.734 119.600 -0.074 0.000 2.089 354 M HA -0.136 4.344 4.480 0.000 0.000 0.257 354 M C 1.469 177.587 176.300 -0.302 0.000 1.071 354 M CA 2.523 57.708 55.300 -0.191 0.000 1.096 354 M CB -0.225 32.228 32.600 -0.245 0.000 1.330 354 M HN 0.577 nan 8.290 nan 0.000 0.403 355 H N -0.556 118.541 119.070 0.045 0.000 2.512 355 H HA 0.374 4.930 4.556 0.000 0.000 0.276 355 H C 0.397 175.765 175.328 0.067 0.000 1.126 355 H CA 0.274 56.347 56.048 0.042 0.000 1.060 355 H CB -0.478 29.285 29.762 0.002 0.000 1.646 355 H HN 0.415 nan 8.280 nan 0.000 0.571 356 G N 0.833 109.704 108.800 0.119 0.000 2.599 356 G HA2 0.275 4.235 3.960 0.000 0.000 0.264 356 G HA3 0.275 4.235 3.960 0.000 0.000 0.264 356 G C 0.610 175.552 174.900 0.069 0.000 1.200 356 G CA -0.337 44.834 45.100 0.119 0.000 0.896 356 G HN 0.466 nan 8.290 nan 0.000 0.536 357 C N -0.451 118.852 119.300 0.005 0.000 2.656 357 C HA 0.628 5.088 4.460 0.000 0.000 0.391 357 C C 2.084 176.816 174.990 -0.431 0.000 1.300 357 C CA -0.018 58.807 59.018 -0.320 0.000 2.302 357 C CB 0.502 27.850 27.740 -0.653 0.000 2.655 357 C HN 0.978 nan 8.230 nan 0.000 0.656 358 A N 1.739 124.164 122.820 -0.658 0.000 1.933 358 A HA -0.021 4.299 4.320 0.000 0.000 0.218 358 A C 2.138 179.356 177.584 -0.611 0.000 1.175 358 A CA 2.391 53.842 52.037 -0.978 0.000 0.628 358 A CB -1.441 16.644 19.000 -1.526 0.000 0.814 358 A HN 0.998 nan 8.150 nan 0.000 0.444 359 T N 0.394 114.732 114.554 -0.359 0.000 2.684 359 T HA -0.063 4.287 4.350 0.000 0.000 0.267 359 T C 2.235 176.811 174.700 -0.206 0.000 1.036 359 T CA 1.703 63.690 62.100 -0.188 0.000 1.148 359 T CB -0.465 68.387 68.868 -0.026 0.000 0.863 359 T HN 0.604 nan 8.240 nan 0.000 0.436 360 A N 2.335 125.042 122.820 -0.188 0.000 1.877 360 A HA -0.147 4.173 4.320 0.000 0.000 0.216 360 A C 2.286 179.780 177.584 -0.150 0.000 1.186 360 A CA 1.544 53.504 52.037 -0.128 0.000 0.620 360 A CB -0.660 18.289 19.000 -0.085 0.000 0.822 360 A HN 0.372 nan 8.150 nan 0.000 0.443 361 N N 0.172 118.749 118.700 -0.206 0.000 2.120 361 N HA -0.084 4.656 4.740 0.000 0.000 0.188 361 N C 1.656 177.034 175.510 -0.219 0.000 1.024 361 N CA 1.347 54.293 53.050 -0.173 0.000 0.852 361 N CB -0.522 37.870 38.487 -0.159 0.000 1.003 361 N HN 0.497 nan 8.380 nan 0.000 0.424 362 L N 0.494 121.469 121.223 -0.414 0.000 2.093 362 L HA -0.071 4.269 4.340 0.000 0.000 0.208 362 L C 2.361 178.980 176.870 -0.419 0.000 1.085 362 L CA 0.973 55.429 54.840 -0.640 0.000 0.755 362 L CB -0.458 40.693 42.059 -1.512 0.000 0.904 362 L HN 0.112 nan 8.230 nan 0.000 0.435 363 A N -0.344 122.338 122.820 -0.230 0.000 1.902 363 A HA -0.165 4.155 4.320 0.000 0.000 0.217 363 A C 2.327 180.053 177.584 0.236 0.000 1.181 363 A CA 1.829 53.988 52.037 0.203 0.000 0.623 363 A CB -0.833 18.229 19.000 0.103 0.000 0.818 363 A HN 0.193 nan 8.150 nan 0.000 0.443 364 V N 0.050 119.986 119.914 0.036 0.000 2.407 364 V HA -0.220 3.900 4.120 0.000 0.000 0.248 364 V C 2.573 178.599 176.094 -0.113 0.000 1.055 364 V CA 1.935 64.211 62.300 -0.040 0.000 1.049 364 V CB -0.620 31.136 31.823 -0.112 0.000 0.662 364 V HN 0.555 nan 8.190 nan 0.000 0.455 365 Q N -0.396 119.347 119.800 -0.096 0.000 2.378 365 Q HA -0.005 4.335 4.340 0.000 0.000 0.205 365 Q C 1.540 177.537 176.000 -0.005 0.000 0.954 365 Q CA 0.783 56.524 55.803 -0.103 0.000 0.901 365 Q CB -0.200 28.484 28.738 -0.091 0.000 0.981 365 Q HN 0.654 nan 8.270 nan 0.000 0.483 366 N N -0.286 118.493 118.700 0.132 0.000 2.184 366 N HA 0.144 4.884 4.740 0.000 0.000 0.206 366 N C -0.104 175.482 175.510 0.127 0.000 1.151 366 N CA 0.040 53.225 53.050 0.224 0.000 0.878 366 N CB 0.890 39.683 38.487 0.510 0.000 1.014 366 N HN 0.011 nan 8.380 nan 0.000 0.512 367 A N 1.527 124.412 122.820 0.107 0.000 2.407 367 A HA 0.100 4.421 4.320 0.000 0.000 0.248 367 A C 0.979 178.488 177.584 -0.124 0.000 1.082 367 A CA -0.150 51.851 52.037 -0.059 0.000 0.785 367 A CB 0.348 19.401 19.000 0.087 0.000 1.020 367 A HN 0.214 nan 8.150 nan 0.000 0.489 368 D N 0.460 120.740 120.400 -0.200 0.000 2.354 368 D HA 0.124 4.764 4.640 0.000 0.000 0.209 368 D C -0.024 176.227 176.300 -0.083 0.000 1.015 368 D CA 0.255 54.173 54.000 -0.136 0.000 0.867 368 D CB 0.053 40.757 40.800 -0.160 0.000 0.933 368 D HN 0.261 nan 8.370 nan 0.000 0.520 369 L N 0.529 121.712 121.223 -0.066 0.000 2.516 369 L HA 0.451 4.791 4.340 0.000 0.000 0.267 369 L C -1.772 175.128 176.870 0.049 0.000 0.957 369 L CA -0.697 54.140 54.840 -0.004 0.000 0.860 369 L CB 2.106 44.162 42.059 -0.004 0.000 1.265 369 L HN -0.124 nan 8.230 nan 0.000 0.403 370 I N 6.236 126.858 120.570 0.088 0.000 2.339 370 I HA 0.409 4.579 4.170 0.000 0.000 0.290 370 I C -0.534 175.712 176.117 0.214 0.000 0.994 370 I CA -0.416 60.976 61.300 0.153 0.000 1.191 370 I CB 1.529 39.630 38.000 0.169 0.000 1.343 370 I HN 0.504 nan 8.210 nan 0.000 0.458 371 I N 6.586 127.286 120.570 0.217 0.000 2.347 371 I HA 0.361 4.531 4.170 0.000 0.000 0.283 371 I C 0.476 176.746 176.117 0.254 0.000 1.058 371 I CA -0.312 61.139 61.300 0.252 0.000 1.202 371 I CB 1.090 39.208 38.000 0.197 0.000 1.386 371 I HN 0.566 nan 8.210 nan 0.000 0.475 372 A N 6.748 129.763 122.820 0.324 0.000 2.302 372 A HA 0.600 4.920 4.320 0.000 0.000 0.295 372 A C -0.190 177.529 177.584 0.225 0.000 1.235 372 A CA -0.284 51.847 52.037 0.157 0.000 0.876 372 A CB 0.328 19.437 19.000 0.181 0.000 1.133 372 A HN 0.470 nan 8.150 nan 0.000 0.533 373 V N 2.689 122.586 119.914 -0.029 0.000 2.326 373 V HA 0.570 4.690 4.120 0.000 0.000 0.281 373 V C 1.044 177.086 176.094 -0.085 0.000 1.015 373 V CA 0.365 62.660 62.300 -0.008 0.000 0.823 373 V CB 0.637 32.371 31.823 -0.148 0.000 1.009 373 V HN 1.770 nan 8.190 nan 0.000 0.436 374 G N 4.030 112.835 108.800 0.008 0.000 2.295 374 G HA2 0.081 4.041 3.960 0.000 0.000 0.287 374 G HA3 0.081 4.041 3.960 0.000 0.000 0.287 374 G C 0.098 174.938 174.900 -0.101 0.000 1.055 374 G CA 0.435 45.517 45.100 -0.029 0.000 0.922 374 G HN 1.588 nan 8.290 nan 0.000 0.503 375 A N -0.436 122.307 122.820 -0.127 0.000 2.449 375 A HA 0.874 5.194 4.320 0.000 0.000 0.302 375 A C 0.685 178.259 177.584 -0.017 0.000 1.048 375 A CA -0.058 51.812 52.037 -0.279 0.000 0.708 375 A CB 0.940 19.351 19.000 -0.980 0.000 1.274 375 A HN 1.103 nan 8.150 nan 0.000 0.410 376 R N 0.813 121.346 120.500 0.054 0.000 2.507 376 R HA 0.401 4.741 4.340 0.000 0.000 0.298 376 R C -1.034 175.477 176.300 0.352 0.000 0.999 376 R CA -0.125 56.120 56.100 0.242 0.000 1.082 376 R CB -0.589 29.792 30.300 0.135 0.000 1.246 376 R HN 0.607 nan 8.270 nan 0.000 0.553 377 F N 2.721 122.731 119.950 0.099 0.000 3.027 377 F HA -0.282 4.245 4.527 0.000 0.000 0.276 377 F C 0.204 175.949 175.800 -0.092 0.000 0.967 377 F CA 1.125 59.115 58.000 -0.017 0.000 0.929 377 F CB -1.862 37.060 39.000 -0.130 0.000 0.873 377 F HN 0.476 nan 8.300 nan 0.000 0.787 378 D N 0.719 121.158 120.400 0.064 0.000 2.363 378 D HA 0.052 4.692 4.640 0.000 0.000 0.240 378 D C 1.140 177.416 176.300 -0.039 0.000 1.236 378 D CA 0.337 54.343 54.000 0.010 0.000 0.927 378 D CB 0.770 41.568 40.800 -0.004 0.000 1.150 378 D HN 0.337 nan 8.370 nan 0.000 0.458 379 D N -0.361 120.014 120.400 -0.041 0.000 2.378 379 D HA -0.162 4.478 4.640 0.000 0.000 0.222 379 D C 1.179 177.451 176.300 -0.047 0.000 0.980 379 D CA 0.523 54.491 54.000 -0.052 0.000 0.907 379 D CB -0.033 40.743 40.800 -0.040 0.000 0.899 379 D HN 0.157 nan 8.370 nan 0.000 0.527 380 R N -0.044 120.429 120.500 -0.045 0.000 2.300 380 R HA 0.224 4.564 4.340 0.000 0.000 0.199 380 R C 1.384 177.656 176.300 -0.047 0.000 0.920 380 R CA 0.085 56.162 56.100 -0.038 0.000 1.046 380 R CB 0.232 30.513 30.300 -0.032 0.000 0.984 380 R HN 0.261 nan 8.270 nan 0.000 0.493 381 V N -0.062 119.810 119.914 -0.069 0.000 2.908 381 V HA -0.072 4.048 4.120 0.000 0.000 0.240 381 V C 2.179 178.185 176.094 -0.147 0.000 1.117 381 V CA 1.779 64.021 62.300 -0.097 0.000 1.133 381 V CB 0.283 32.044 31.823 -0.104 0.000 0.857 381 V HN 0.322 nan 8.190 nan 0.000 0.478 382 T N -1.728 112.684 114.554 -0.237 0.000 3.055 382 T HA 0.275 4.625 4.350 0.000 0.000 0.265 382 T C 1.283 175.941 174.700 -0.071 0.000 1.111 382 T CA 1.006 62.883 62.100 -0.371 0.000 1.118 382 T CB -0.160 68.330 68.868 -0.630 0.000 0.909 382 T HN 1.046 nan 8.240 nan 0.000 0.501 383 G N 2.084 110.862 108.800 -0.037 0.000 2.641 383 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 383 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 383 G C -0.317 174.593 174.900 0.017 0.000 1.315 383 G CA -0.218 44.892 45.100 0.017 0.000 0.907 383 G HN 0.770 nan 8.290 nan 0.000 0.572 384 N N 0.535 119.259 118.700 0.039 0.000 2.417 384 N HA 0.094 4.834 4.740 0.000 0.000 0.272 384 N C 1.614 177.160 175.510 0.060 0.000 1.304 384 N CA 0.389 53.460 53.050 0.035 0.000 0.906 384 N CB 0.587 39.094 38.487 0.034 0.000 1.135 384 N HN 0.742 nan 8.380 nan 0.000 0.483 385 I N 3.886 124.472 120.570 0.027 0.000 2.315 385 I HA -0.284 3.886 4.170 0.000 0.000 0.251 385 I C 2.122 178.298 176.117 0.099 0.000 1.125 385 I CA 1.647 62.972 61.300 0.041 0.000 1.392 385 I CB -0.452 37.538 38.000 -0.016 0.000 1.065 385 I HN 0.706 nan 8.210 nan 0.000 0.424 386 S N -0.726 115.012 115.700 0.063 0.000 2.481 386 S HA -0.084 4.386 4.470 0.000 0.000 0.231 386 S C 1.751 176.391 174.600 0.067 0.000 0.996 386 S CA 0.645 58.878 58.200 0.056 0.000 0.942 386 S CB -0.466 62.752 63.200 0.029 0.000 0.768 386 S HN 0.547 nan 8.310 nan 0.000 0.520 387 K N 0.020 120.470 120.400 0.084 0.000 2.358 387 K HA 0.284 4.604 4.320 0.000 0.000 0.197 387 K C -0.307 176.354 176.600 0.102 0.000 1.025 387 K CA -0.443 55.885 56.287 0.068 0.000 1.104 387 K CB 0.140 32.668 32.500 0.045 0.000 0.855 387 K HN 0.400 nan 8.250 nan 0.000 0.531 388 F N 2.664 122.610 119.950 -0.008 0.000 2.504 388 F HA 0.178 4.706 4.527 0.000 0.000 0.369 388 F C 0.611 176.412 175.800 0.002 0.000 1.082 388 F CA -0.446 57.551 58.000 -0.005 0.000 1.216 388 F CB 0.301 39.305 39.000 0.006 0.000 1.108 388 F HN 0.248 nan 8.300 nan 0.000 0.554 389 A N 6.509 128.873 122.820 -0.760 0.000 2.466 389 A HA -0.190 4.130 4.320 0.000 0.000 0.295 389 A C -1.708 175.723 177.584 -0.255 0.000 1.465 389 A CA 0.523 52.187 52.037 -0.623 0.000 0.744 389 A CB -1.931 16.516 19.000 -0.922 0.000 1.098 389 A HN 0.686 nan 8.150 nan 0.000 0.402 390 P HA -0.175 nan 4.420 nan 0.000 0.217 390 P C 1.222 178.486 177.300 -0.061 0.000 1.150 390 P CA 1.415 64.473 63.100 -0.071 0.000 0.832 390 P CB 0.189 31.864 31.700 -0.042 0.000 0.787 391 E N 0.006 120.167 120.200 -0.064 0.000 2.150 391 E HA -0.063 4.287 4.350 0.000 0.000 0.193 391 E C 2.185 178.747 176.600 -0.063 0.000 0.985 391 E CA 1.179 57.548 56.400 -0.051 0.000 0.814 391 E CB -0.730 28.947 29.700 -0.037 0.000 0.752 391 E HN 0.216 nan 8.360 nan 0.000 0.466 392 A N 1.454 124.224 122.820 -0.083 0.000 1.929 392 A HA -0.131 4.189 4.320 0.000 0.000 0.216 392 A C 2.033 179.590 177.584 -0.044 0.000 1.176 392 A CA 0.892 52.890 52.037 -0.066 0.000 0.628 392 A CB -0.143 18.811 19.000 -0.077 0.000 0.816 392 A HN 0.011 nan 8.150 nan 0.000 0.444 393 R N -0.240 120.232 120.500 -0.047 0.000 2.075 393 R HA -0.056 4.284 4.340 0.000 0.000 0.232 393 R C 2.186 178.473 176.300 -0.022 0.000 1.126 393 R CA 1.540 57.625 56.100 -0.025 0.000 0.963 393 R CB -0.935 29.354 30.300 -0.019 0.000 0.858 393 R HN 0.671 nan 8.270 nan 0.000 0.435 394 R N 0.718 121.202 120.500 -0.027 0.000 2.081 394 R HA -0.038 4.302 4.340 0.000 0.000 0.235 394 R C 2.057 178.342 176.300 -0.024 0.000 1.131 394 R CA 1.480 57.566 56.100 -0.022 0.000 0.960 394 R CB -0.220 30.067 30.300 -0.022 0.000 0.856 394 R HN 0.222 nan 8.270 nan 0.000 0.436 395 A N 0.532 123.333 122.820 -0.031 0.000 1.933 395 A HA -0.087 4.234 4.320 0.000 0.000 0.218 395 A C 2.306 179.876 177.584 -0.023 0.000 1.175 395 A CA 1.609 53.626 52.037 -0.033 0.000 0.628 395 A CB -0.680 18.293 19.000 -0.045 0.000 0.814 395 A HN 0.535 nan 8.150 nan 0.000 0.444 396 A N -0.122 122.686 122.820 -0.019 0.000 1.898 396 A HA 0.212 4.533 4.320 0.000 0.000 0.216 396 A C 2.471 180.048 177.584 -0.011 0.000 1.181 396 A CA 1.854 53.883 52.037 -0.012 0.000 0.620 396 A CB -0.992 18.003 19.000 -0.008 0.000 0.819 396 A HN 1.076 nan 8.150 nan 0.000 0.442 397 A N -0.439 122.374 122.820 -0.011 0.000 2.070 397 A HA -0.122 4.198 4.320 0.000 0.000 0.220 397 A C 1.684 179.262 177.584 -0.010 0.000 1.159 397 A CA 1.571 53.602 52.037 -0.009 0.000 0.656 397 A CB -0.354 18.640 19.000 -0.009 0.000 0.800 397 A HN 0.629 nan 8.150 nan 0.000 0.453 398 E N -1.431 118.762 120.200 -0.012 0.000 2.465 398 E HA 0.306 4.657 4.350 0.000 0.000 0.195 398 E C 0.900 177.492 176.600 -0.012 0.000 1.028 398 E CA 0.132 56.525 56.400 -0.012 0.000 0.899 398 E CB 0.015 29.706 29.700 -0.015 0.000 1.032 398 E HN 0.641 nan 8.360 nan 0.000 0.468 399 G N 2.942 111.735 108.800 -0.012 0.000 2.258 399 G HA2 -0.361 3.599 3.960 0.000 0.000 0.274 399 G HA3 -0.361 3.599 3.960 0.000 0.000 0.274 399 G C 0.686 175.577 174.900 -0.014 0.000 1.021 399 G CA 0.992 46.085 45.100 -0.011 0.000 0.798 399 G HN 0.446 nan 8.290 nan 0.000 0.507 400 R N -1.153 119.336 120.500 -0.019 0.000 2.600 400 R HA 0.573 4.913 4.340 0.000 0.000 0.392 400 R C 0.852 177.135 176.300 -0.029 0.000 1.032 400 R CA 0.365 56.451 56.100 -0.023 0.000 1.139 400 R CB 0.570 30.855 30.300 -0.026 0.000 1.400 400 R HN 1.175 nan 8.270 nan 0.000 0.566 401 G N -0.953 107.833 108.800 -0.024 0.000 2.441 401 G HA2 0.438 4.398 3.960 0.000 0.000 0.225 401 G HA3 0.438 4.398 3.960 0.000 0.000 0.225 401 G C -0.327 174.567 174.900 -0.011 0.000 1.200 401 G CA -0.089 44.997 45.100 -0.023 0.000 0.947 401 G HN 0.521 nan 8.290 nan 0.000 0.484 402 G N -1.040 107.757 108.800 -0.006 0.000 2.253 402 G HA2 0.299 4.259 3.960 0.000 0.000 0.190 402 G HA3 0.299 4.259 3.960 0.000 0.000 0.190 402 G C -1.153 173.772 174.900 0.042 0.000 1.274 402 G CA -0.070 45.036 45.100 0.009 0.000 1.275 402 G HN 1.344 nan 8.290 nan 0.000 0.518 403 I N 1.173 121.780 120.570 0.063 0.000 2.499 403 I HA 0.546 4.716 4.170 0.000 0.000 0.288 403 I C -0.416 175.773 176.117 0.120 0.000 1.048 403 I CA -0.681 60.694 61.300 0.125 0.000 1.062 403 I CB 1.978 40.071 38.000 0.155 0.000 1.238 403 I HN 0.391 nan 8.210 nan 0.000 0.426 404 I N 4.993 125.663 120.570 0.166 0.000 2.441 404 I HA 0.358 4.528 4.170 0.000 0.000 0.295 404 I C -0.413 175.858 176.117 0.256 0.000 0.994 404 I CA -0.498 60.878 61.300 0.128 0.000 1.144 404 I CB 1.650 39.721 38.000 0.118 0.000 1.314 404 I HN 0.574 nan 8.210 nan 0.000 0.445 405 H N 6.139 125.218 119.070 0.016 0.000 2.906 405 H HA 0.369 4.925 4.556 0.000 0.000 0.324 405 H C -1.448 173.850 175.328 -0.049 0.000 0.973 405 H CA -0.779 55.336 56.048 0.111 0.000 1.321 405 H CB 1.092 30.943 29.762 0.148 0.000 1.535 405 H HN 0.395 nan 8.280 nan 0.000 0.518 406 F N 3.879 123.887 119.950 0.097 0.000 2.377 406 F HA 0.143 4.670 4.527 0.000 0.000 0.360 406 F C 0.310 175.997 175.800 -0.189 0.000 1.147 406 F CA -0.365 57.605 58.000 -0.050 0.000 1.170 406 F CB 0.632 39.623 39.000 -0.014 0.000 1.339 406 F HN 0.545 nan 8.300 nan 0.000 0.552 407 E N 1.912 121.963 120.200 -0.247 0.000 2.222 407 E HA 0.370 4.720 4.350 0.000 0.000 0.267 407 E C -0.272 176.250 176.600 -0.131 0.000 0.884 407 E CA -0.508 55.707 56.400 -0.308 0.000 0.764 407 E CB 2.053 31.347 29.700 -0.676 0.000 1.169 407 E HN 0.249 nan 8.360 nan 0.000 0.413 408 V N 2.856 122.728 119.914 -0.070 0.000 2.878 408 V HA 0.175 4.295 4.120 0.000 0.000 0.250 408 V C 0.417 176.492 176.094 -0.033 0.000 1.075 408 V CA 1.330 63.612 62.300 -0.030 0.000 1.096 408 V CB 0.361 32.180 31.823 -0.007 0.000 0.724 408 V HN 0.581 nan 8.190 nan 0.000 0.467 409 S N -0.377 115.297 115.700 -0.044 0.000 2.433 409 S HA 0.431 4.901 4.470 0.000 0.000 0.310 409 S C -1.556 173.029 174.600 -0.026 0.000 1.097 409 S CA -1.254 56.928 58.200 -0.031 0.000 1.103 409 S CB 1.623 64.804 63.200 -0.033 0.000 0.992 409 S HN 0.187 nan 8.310 nan 0.000 0.469 410 P HA -0.100 nan 4.420 nan 0.000 0.218 410 P C 0.738 178.039 177.300 0.003 0.000 1.148 410 P CA 1.238 64.335 63.100 -0.005 0.000 0.822 410 P CB 0.119 31.819 31.700 -0.001 0.000 0.784 411 K N -1.123 119.279 120.400 0.003 0.000 2.209 411 K HA -0.081 4.239 4.320 0.000 0.000 0.204 411 K C 0.932 177.544 176.600 0.020 0.000 1.048 411 K CA 0.996 57.290 56.287 0.011 0.000 0.940 411 K CB -0.422 32.083 32.500 0.009 0.000 0.729 411 K HN 0.143 nan 8.250 nan 0.000 0.451 412 N N 0.418 119.134 118.700 0.028 0.000 2.235 412 N HA 0.161 4.901 4.740 0.000 0.000 0.209 412 N C -0.419 175.168 175.510 0.130 0.000 1.122 412 N CA 0.161 53.258 53.050 0.078 0.000 0.845 412 N CB 0.536 39.082 38.487 0.099 0.000 1.004 412 N HN 0.100 nan 8.380 nan 0.000 0.499 413 I N 0.787 121.397 120.570 0.067 0.000 2.315 413 I HA 0.087 4.257 4.170 0.000 0.000 0.291 413 I C 0.070 176.216 176.117 0.049 0.000 1.006 413 I CA -0.249 61.101 61.300 0.083 0.000 1.265 413 I CB 0.420 38.433 38.000 0.023 0.000 1.387 413 I HN 0.150 nan 8.210 nan 0.000 0.475 414 N N 3.917 122.637 118.700 0.034 0.000 2.725 414 N HA -0.226 4.514 4.740 0.000 0.000 0.249 414 N C 1.092 176.577 175.510 -0.042 0.000 1.103 414 N CA 0.605 53.635 53.050 -0.032 0.000 0.707 414 N CB -0.560 37.919 38.487 -0.013 0.000 1.043 414 N HN 0.639 nan 8.380 nan 0.000 0.553 415 K N 0.137 120.514 120.400 -0.039 0.000 2.202 415 K HA 0.096 4.417 4.320 0.000 0.000 0.201 415 K C 1.328 177.893 176.600 -0.059 0.000 1.051 415 K CA 1.033 57.303 56.287 -0.029 0.000 0.977 415 K CB 0.488 32.991 32.500 0.004 0.000 0.792 415 K HN 0.144 nan 8.250 nan 0.000 0.469 416 V N -0.035 119.809 119.914 -0.117 0.000 2.908 416 V HA 0.133 4.253 4.120 0.000 0.000 0.240 416 V C 0.578 176.569 176.094 -0.172 0.000 1.117 416 V CA 0.142 62.361 62.300 -0.134 0.000 1.133 416 V CB 1.480 33.224 31.823 -0.131 0.000 0.857 416 V HN 0.088 nan 8.190 nan 0.000 0.478 417 V N -0.080 119.668 119.914 -0.278 0.000 3.007 417 V HA 0.447 4.567 4.120 0.000 0.000 0.311 417 V C -0.886 175.091 176.094 -0.194 0.000 1.120 417 V CA -0.687 61.485 62.300 -0.212 0.000 0.980 417 V CB 2.133 33.826 31.823 -0.216 0.000 1.033 417 V HN 0.493 nan 8.190 nan 0.000 0.429 418 Q N 2.777 122.517 119.800 -0.100 0.000 2.297 418 Q HA 0.388 4.728 4.340 0.000 0.000 0.267 418 Q C -0.275 175.684 176.000 -0.068 0.000 1.006 418 Q CA 0.005 55.767 55.803 -0.069 0.000 0.896 418 Q CB 0.934 29.652 28.738 -0.034 0.000 1.186 418 Q HN 0.959 nan 8.270 nan 0.000 0.392 419 T N 1.139 115.659 114.554 -0.057 0.000 2.895 419 T HA 0.263 4.614 4.350 0.000 0.000 0.283 419 T C 0.477 175.176 174.700 -0.001 0.000 1.014 419 T CA -0.793 61.292 62.100 -0.024 0.000 1.037 419 T CB 1.714 70.581 68.868 -0.001 0.000 1.006 419 T HN 0.582 nan 8.240 nan 0.000 0.468 420 Q N 0.974 120.779 119.800 0.008 0.000 2.137 420 Q HA 0.409 4.749 4.340 0.000 0.000 0.198 420 Q C 0.051 176.046 176.000 -0.008 0.000 0.960 420 Q CA 1.160 56.964 55.803 0.001 0.000 0.847 420 Q CB -0.017 28.722 28.738 0.001 0.000 0.915 420 Q HN 0.761 nan 8.270 nan 0.000 0.448 421 I N -0.081 120.480 120.570 -0.014 0.000 2.571 421 I HA 0.539 4.709 4.170 0.000 0.000 0.289 421 I C -1.361 174.711 176.117 -0.076 0.000 1.115 421 I CA -1.132 60.134 61.300 -0.057 0.000 1.045 421 I CB 2.180 40.125 38.000 -0.091 0.000 1.238 421 I HN -0.169 nan 8.210 nan 0.000 0.424 422 A N 6.269 129.035 122.820 -0.089 0.000 2.287 422 A HA 0.746 5.066 4.320 0.000 0.000 0.317 422 A C -0.660 176.788 177.584 -0.227 0.000 1.220 422 A CA -0.495 51.476 52.037 -0.109 0.000 0.835 422 A CB 1.120 20.105 19.000 -0.027 0.000 1.180 422 A HN 0.441 nan 8.150 nan 0.000 0.500 423 V N 4.196 123.881 119.914 -0.381 0.000 2.294 423 V HA 0.166 4.286 4.120 0.000 0.000 0.272 423 V C 0.118 176.066 176.094 -0.244 0.000 1.027 423 V CA -0.384 61.659 62.300 -0.428 0.000 0.823 423 V CB 0.466 31.792 31.823 -0.828 0.000 1.030 423 V HN 0.973 nan 8.190 nan 0.000 0.457 424 E N 3.428 123.548 120.200 -0.134 0.000 2.373 424 E HA 0.588 4.938 4.350 0.000 0.000 0.267 424 E C 0.766 177.357 176.600 -0.015 0.000 1.032 424 E CA 0.525 56.895 56.400 -0.049 0.000 0.889 424 E CB 1.202 30.919 29.700 0.030 0.000 0.984 424 E HN 0.949 nan 8.360 nan 0.000 0.425 425 G N 2.608 111.408 108.800 -0.000 0.000 2.409 425 G HA2 -0.191 3.769 3.960 0.000 0.000 0.421 425 G HA3 -0.191 3.769 3.960 0.000 0.000 0.421 425 G C -1.216 173.710 174.900 0.042 0.000 1.259 425 G CA -0.640 44.475 45.100 0.025 0.000 1.011 425 G HN 0.678 nan 8.290 nan 0.000 0.497 426 D N 0.700 121.133 120.400 0.055 0.000 2.401 426 D HA 0.582 5.222 4.640 0.000 0.000 0.254 426 D C 1.471 177.815 176.300 0.073 0.000 1.192 426 D CA 1.214 55.254 54.000 0.067 0.000 0.885 426 D CB 1.132 41.986 40.800 0.090 0.000 1.147 426 D HN 1.035 nan 8.370 nan 0.000 0.478 427 A N 3.273 126.135 122.820 0.070 0.000 1.865 427 A HA -0.208 4.113 4.320 0.000 0.000 0.217 427 A C 2.160 179.711 177.584 -0.055 0.000 1.191 427 A CA 2.020 54.093 52.037 0.060 0.000 0.623 427 A CB -0.961 18.045 19.000 0.010 0.000 0.826 427 A HN 0.688 nan 8.150 nan 0.000 0.444 428 T N -0.130 114.370 114.554 -0.091 0.000 2.684 428 T HA -0.148 4.202 4.350 0.000 0.000 0.267 428 T C 2.012 176.585 174.700 -0.212 0.000 1.036 428 T CA 2.054 64.031 62.100 -0.205 0.000 1.148 428 T CB -0.679 67.972 68.868 -0.362 0.000 0.863 428 T HN 0.585 nan 8.240 nan 0.000 0.436 429 T N 2.463 116.925 114.554 -0.153 0.000 2.746 429 T HA -0.103 4.247 4.350 0.000 0.000 0.267 429 T C 2.008 176.696 174.700 -0.020 0.000 1.039 429 T CA 1.032 63.084 62.100 -0.080 0.000 1.142 429 T CB -0.336 68.535 68.868 0.004 0.000 0.866 429 T HN 0.312 nan 8.240 nan 0.000 0.444 430 N N 1.076 119.797 118.700 0.035 0.000 2.270 430 N HA 0.093 4.833 4.740 0.000 0.000 0.181 430 N C 1.845 177.413 175.510 0.097 0.000 1.016 430 N CA 0.593 53.713 53.050 0.118 0.000 0.870 430 N CB -0.376 38.275 38.487 0.274 0.000 0.979 430 N HN 0.356 nan 8.380 nan 0.000 0.431 431 L N 0.143 121.335 121.223 -0.052 0.000 2.093 431 L HA -0.041 4.299 4.340 0.000 0.000 0.208 431 L C 2.370 179.202 176.870 -0.063 0.000 1.085 431 L CA 1.124 55.878 54.840 -0.142 0.000 0.755 431 L CB -0.759 41.147 42.059 -0.256 0.000 0.904 431 L HN 0.188 nan 8.230 nan 0.000 0.435 432 G N 0.099 108.863 108.800 -0.060 0.000 2.422 432 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 432 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 432 G C 1.687 176.582 174.900 -0.009 0.000 1.146 432 G CA 0.425 45.501 45.100 -0.040 0.000 0.769 432 G HN 0.308 nan 8.290 nan 0.000 0.547 433 K N -0.639 119.764 120.400 0.006 0.000 2.217 433 K HA 0.182 4.502 4.320 0.000 0.000 0.202 433 K C 2.313 178.926 176.600 0.023 0.000 1.051 433 K CA 0.724 57.021 56.287 0.016 0.000 0.952 433 K CB -0.102 32.411 32.500 0.021 0.000 0.736 433 K HN 0.349 nan 8.250 nan 0.000 0.453 434 M N 0.078 119.699 119.600 0.035 0.000 2.435 434 M HA -0.041 4.440 4.480 0.000 0.000 0.265 434 M C 1.973 178.285 176.300 0.020 0.000 1.104 434 M CA 0.718 56.042 55.300 0.039 0.000 1.140 434 M CB 0.133 32.791 32.600 0.096 0.000 1.372 434 M HN 0.033 nan 8.290 nan 0.000 0.456 435 M N 0.876 120.483 119.600 0.012 0.000 2.147 435 M HA -0.264 4.216 4.480 0.000 0.000 0.253 435 M C 2.254 178.571 176.300 0.028 0.000 1.075 435 M CA 2.697 58.005 55.300 0.014 0.000 1.085 435 M CB -0.643 31.962 32.600 0.009 0.000 1.305 435 M HN 0.518 nan 8.290 nan 0.000 0.409 436 S N -1.319 114.399 115.700 0.031 0.000 2.469 436 S HA -0.132 4.338 4.470 0.000 0.000 0.238 436 S C 1.637 176.274 174.600 0.061 0.000 0.998 436 S CA 1.242 59.470 58.200 0.047 0.000 0.957 436 S CB -0.636 62.589 63.200 0.040 0.000 0.764 436 S HN 0.639 nan 8.310 nan 0.000 0.514 437 K N 0.305 120.724 120.400 0.031 0.000 2.393 437 K HA 0.285 4.605 4.320 0.000 0.000 0.193 437 K C -0.188 176.365 176.600 -0.078 0.000 1.026 437 K CA -0.027 56.262 56.287 0.002 0.000 1.064 437 K CB 0.164 32.646 32.500 -0.030 0.000 0.833 437 K HN 0.358 nan 8.250 nan 0.000 0.521 438 I N 2.098 122.653 120.570 -0.025 0.000 2.352 438 I HA 0.106 4.276 4.170 0.000 0.000 0.290 438 I C 0.161 176.346 176.117 0.114 0.000 1.036 438 I CA -0.397 60.873 61.300 -0.052 0.000 1.336 438 I CB -0.236 37.765 38.000 0.000 0.000 1.407 438 I HN -0.030 nan 8.210 nan 0.000 0.497 439 F N 7.058 127.020 119.950 0.020 0.000 2.504 439 F HA 0.178 4.705 4.527 0.000 0.000 0.369 439 F C -1.560 174.250 175.800 0.016 0.000 1.082 439 F CA -1.943 56.065 58.000 0.014 0.000 1.216 439 F CB 0.352 39.357 39.000 0.009 0.000 1.108 439 F HN 0.237 nan 8.300 nan 0.000 0.554 440 P HA 0.032 nan 4.420 nan 0.000 0.268 440 P C -0.832 176.526 177.300 0.097 0.000 1.204 440 P CA 0.003 63.172 63.100 0.115 0.000 0.768 440 P CB 0.841 32.587 31.700 0.076 0.000 0.842 441 V N 4.421 124.380 119.914 0.075 0.000 2.435 441 V HA 0.187 4.307 4.120 0.000 0.000 0.290 441 V C 1.582 177.686 176.094 0.018 0.000 1.030 441 V CA -0.293 62.036 62.300 0.048 0.000 0.881 441 V CB 1.586 33.435 31.823 0.044 0.000 0.983 441 V HN 0.581 nan 8.190 nan 0.000 0.445 442 K N 3.570 123.969 120.400 -0.001 0.000 2.031 442 K HA -0.007 4.313 4.320 0.000 0.000 0.205 442 K C 0.437 177.010 176.600 -0.044 0.000 1.049 442 K CA 1.562 57.840 56.287 -0.014 0.000 0.939 442 K CB 0.367 32.857 32.500 -0.017 0.000 0.717 442 K HN 0.920 nan 8.250 nan 0.000 0.438 443 E N -1.708 118.443 120.200 -0.082 0.000 2.403 443 E HA 0.216 4.566 4.350 0.000 0.000 0.280 443 E C -1.257 175.206 176.600 -0.228 0.000 1.101 443 E CA -0.958 55.337 56.400 -0.175 0.000 0.856 443 E CB 0.862 30.481 29.700 -0.134 0.000 1.303 443 E HN -0.010 nan 8.360 nan 0.000 0.441 444 R N 1.293 121.522 120.500 -0.452 0.000 2.738 444 R HA 0.292 4.632 4.340 0.000 0.000 0.280 444 R C 0.074 176.186 176.300 -0.314 0.000 1.456 444 R CA -0.141 55.752 56.100 -0.346 0.000 1.612 444 R CB 0.918 31.023 30.300 -0.324 0.000 1.286 444 R HN 0.541 nan 8.270 nan 0.000 0.660 445 S N 1.199 116.799 115.700 -0.167 0.000 2.368 445 S HA -0.266 4.204 4.470 0.000 0.000 0.226 445 S C 1.709 176.335 174.600 0.043 0.000 1.044 445 S CA 1.665 59.834 58.200 -0.051 0.000 1.062 445 S CB 0.046 63.228 63.200 -0.030 0.000 0.931 445 S HN 0.569 nan 8.310 nan 0.000 0.440 446 E N -0.022 120.214 120.200 0.060 0.000 2.047 446 E HA -0.161 4.189 4.350 0.000 0.000 0.191 446 E C 1.915 178.640 176.600 0.208 0.000 0.987 446 E CA 0.924 57.383 56.400 0.097 0.000 0.799 446 E CB -0.224 29.521 29.700 0.077 0.000 0.752 446 E HN 0.742 nan 8.360 nan 0.000 0.449 447 W N 0.229 121.545 121.300 0.028 0.000 2.355 447 W HA -0.233 4.427 4.660 0.000 0.000 0.309 447 W C 1.707 178.360 176.519 0.223 0.000 1.206 447 W CA 0.922 58.330 57.345 0.106 0.000 1.284 447 W CB -0.319 29.238 29.460 0.161 0.000 1.145 447 W HN 0.108 nan 8.180 nan 0.000 0.502 448 F N 0.659 120.602 119.950 -0.013 0.000 2.171 448 F HA -0.209 4.318 4.527 0.000 0.000 0.300 448 F C 2.722 178.414 175.800 -0.180 0.000 1.090 448 F CA 0.829 58.729 58.000 -0.166 0.000 1.293 448 F CB -0.725 38.241 39.000 -0.056 0.000 1.013 448 F HN -0.077 nan 8.300 nan 0.000 0.486 449 A N -0.125 122.741 122.820 0.077 0.000 1.902 449 A HA -0.292 4.028 4.320 0.000 0.000 0.217 449 A C 1.960 179.439 177.584 -0.175 0.000 1.181 449 A CA 1.879 53.897 52.037 -0.032 0.000 0.623 449 A CB -0.843 18.150 19.000 -0.012 0.000 0.818 449 A HN 0.372 nan 8.150 nan 0.000 0.443 450 Q N 0.225 119.875 119.800 -0.249 0.000 2.084 450 Q HA -0.101 4.240 4.340 0.000 0.000 0.202 450 Q C 1.719 177.191 176.000 -0.881 0.000 0.978 450 Q CA 1.992 57.453 55.803 -0.569 0.000 0.844 450 Q CB -0.513 27.910 28.738 -0.526 0.000 0.898 450 Q HN 0.679 nan 8.270 nan 0.000 0.426 451 I N 0.495 120.673 120.570 -0.654 0.000 2.286 451 I HA -0.264 3.906 4.170 0.000 0.000 0.248 451 I C 1.671 177.669 176.117 -0.198 0.000 1.115 451 I CA 1.017 62.067 61.300 -0.417 0.000 1.392 451 I CB -0.373 37.321 38.000 -0.510 0.000 1.065 451 I HN 0.280 nan 8.210 nan 0.000 0.418 452 N N 1.210 119.787 118.700 -0.205 0.000 2.309 452 N HA -0.149 4.591 4.740 0.000 0.000 0.182 452 N C 2.030 177.492 175.510 -0.080 0.000 1.018 452 N CA 1.616 54.599 53.050 -0.111 0.000 0.876 452 N CB -0.260 38.176 38.487 -0.085 0.000 0.972 452 N HN 0.395 nan 8.380 nan 0.000 0.434 453 K N 0.610 120.918 120.400 -0.153 0.000 2.097 453 K HA -0.078 4.242 4.320 0.000 0.000 0.205 453 K C 1.831 178.449 176.600 0.030 0.000 1.050 453 K CA 0.918 57.138 56.287 -0.112 0.000 0.938 453 K CB -1.137 31.239 32.500 -0.206 0.000 0.718 453 K HN 0.205 nan 8.250 nan 0.000 0.442 454 W N 1.314 122.623 121.300 0.015 0.000 2.388 454 W HA 0.028 4.688 4.660 0.000 0.000 0.294 454 W C 2.076 178.637 176.519 0.069 0.000 1.212 454 W CA 0.980 58.393 57.345 0.113 0.000 1.271 454 W CB -0.353 29.165 29.460 0.097 0.000 1.126 454 W HN 0.357 nan 8.180 nan 0.000 0.535 455 K N 0.413 120.935 120.400 0.202 0.000 2.057 455 K HA -0.165 4.155 4.320 0.000 0.000 0.207 455 K C 2.439 179.062 176.600 0.039 0.000 1.049 455 K CA 2.290 58.623 56.287 0.076 0.000 0.931 455 K CB -0.326 32.178 32.500 0.007 0.000 0.714 455 K HN 0.081 nan 8.250 nan 0.000 0.440 456 K N 1.401 121.814 120.400 0.021 0.000 2.103 456 K HA -0.147 4.173 4.320 0.000 0.000 0.204 456 K C 1.830 178.406 176.600 -0.040 0.000 1.052 456 K CA 1.750 58.031 56.287 -0.011 0.000 0.945 456 K CB -0.410 32.077 32.500 -0.022 0.000 0.722 456 K HN 0.247 nan 8.250 nan 0.000 0.443 457 E N -0.977 119.180 120.200 -0.071 0.000 2.112 457 E HA -0.026 4.324 4.350 0.000 0.000 0.190 457 E C -0.118 176.239 176.600 -0.404 0.000 0.979 457 E CA 0.915 57.144 56.400 -0.285 0.000 0.814 457 E CB -0.048 29.393 29.700 -0.431 0.000 0.762 457 E HN 0.722 nan 8.360 nan 0.000 0.460 458 Y N 1.445 121.776 120.300 0.052 0.000 2.638 458 Y HA 0.367 4.917 4.550 0.000 0.000 0.367 458 Y C -2.082 173.764 175.900 -0.089 0.000 1.001 458 Y CA -2.441 55.654 58.100 -0.010 0.000 1.133 458 Y CB 0.562 38.972 38.460 -0.083 0.000 1.199 458 Y HN 0.096 nan 8.280 nan 0.000 0.642 459 P HA 0.013 nan 4.420 nan 0.000 0.277 459 P C -0.495 176.841 177.300 0.060 0.000 1.271 459 P CA -0.312 62.791 63.100 0.005 0.000 0.795 459 P CB 1.086 32.819 31.700 0.054 0.000 1.101 460 Y N -0.233 120.135 120.300 0.113 0.000 2.758 460 Y HA 0.222 4.772 4.550 0.000 0.000 0.351 460 Y C 1.423 177.481 175.900 0.263 0.000 1.214 460 Y CA -0.815 57.371 58.100 0.143 0.000 1.983 460 Y CB -0.812 37.656 38.460 0.014 0.000 2.062 460 Y HN 0.318 nan 8.280 nan 0.000 0.416 461 A N 2.339 125.352 122.820 0.321 0.000 2.425 461 A HA 0.434 4.754 4.320 0.000 0.000 0.242 461 A C -0.627 176.854 177.584 -0.172 0.000 1.077 461 A CA 0.037 52.155 52.037 0.136 0.000 0.781 461 A CB 0.030 19.181 19.000 0.253 0.000 1.020 461 A HN 0.713 nan 8.150 nan 0.000 0.494 462 Y N -1.534 118.276 120.300 -0.817 0.000 2.713 462 Y HA 0.599 5.149 4.550 0.000 0.000 0.335 462 Y C -0.802 174.471 175.900 -1.045 0.000 1.222 462 Y CA -1.612 55.702 58.100 -1.310 0.000 1.061 462 Y CB 0.974 39.117 38.460 -0.528 0.000 1.314 462 Y HN 0.547 nan 8.280 nan 0.000 0.453 463 M N 2.931 122.211 119.600 -0.534 0.000 2.266 463 M HA 0.274 4.754 4.480 0.000 0.000 0.340 463 M C -0.709 175.524 176.300 -0.112 0.000 1.486 463 M CA 0.421 55.673 55.300 -0.081 0.000 1.209 463 M CB -0.256 32.464 32.600 0.201 0.000 1.714 463 M HN 0.701 nan 8.290 nan 0.000 0.459 464 E N 2.087 122.111 120.200 -0.293 0.000 2.369 464 E HA 0.123 4.473 4.350 0.000 0.000 0.255 464 E C -0.395 176.167 176.600 -0.064 0.000 1.172 464 E CA -0.492 55.775 56.400 -0.222 0.000 0.932 464 E CB 0.548 30.050 29.700 -0.330 0.000 1.040 464 E HN 0.531 nan 8.360 nan 0.000 0.454 465 E N 0.758 120.936 120.200 -0.036 0.000 2.481 465 E HA 0.011 4.361 4.350 0.000 0.000 0.263 465 E C -0.411 176.175 176.600 -0.022 0.000 0.992 465 E CA 0.518 56.905 56.400 -0.022 0.000 0.938 465 E CB 0.509 30.194 29.700 -0.025 0.000 0.933 465 E HN 0.422 nan 8.360 nan 0.000 0.453 466 T N -0.194 114.355 114.554 -0.009 0.000 2.901 466 T HA 0.591 4.941 4.350 0.000 0.000 0.293 466 T C -2.670 172.027 174.700 -0.004 0.000 1.084 466 T CA -2.676 59.422 62.100 -0.005 0.000 1.008 466 T CB 1.549 70.421 68.868 0.007 0.000 1.170 466 T HN 0.035 nan 8.240 nan 0.000 0.509 467 P HA 0.243 nan 4.420 nan 0.000 0.260 467 P C 1.222 178.522 177.300 -0.000 0.000 1.172 467 P CA 1.612 64.710 63.100 -0.004 0.000 0.760 467 P CB -0.032 31.666 31.700 -0.003 0.000 0.773 468 G N 2.202 111.000 108.800 -0.002 0.000 2.245 468 G HA2 -0.293 3.667 3.960 0.000 0.000 0.264 468 G HA3 -0.293 3.667 3.960 0.000 0.000 0.264 468 G C 0.558 175.459 174.900 0.003 0.000 0.985 468 G CA 0.495 45.594 45.100 -0.000 0.000 0.625 468 G HN 0.821 nan 8.290 nan 0.000 0.536 469 S N 0.033 115.736 115.700 0.004 0.000 2.608 469 S HA 0.574 5.044 4.470 0.000 0.000 0.261 469 S C 0.547 175.149 174.600 0.003 0.000 1.314 469 S CA 0.308 58.514 58.200 0.010 0.000 0.992 469 S CB 1.238 64.446 63.200 0.013 0.000 0.935 469 S HN 0.539 nan 8.310 nan 0.000 0.564 470 K N 0.367 120.771 120.400 0.007 0.000 2.138 470 K HA 0.349 4.669 4.320 0.000 0.000 0.251 470 K C -0.020 176.570 176.600 -0.018 0.000 1.015 470 K CA -0.422 55.864 56.287 -0.002 0.000 0.917 470 K CB 0.279 32.783 32.500 0.008 0.000 1.021 470 K HN 0.561 nan 8.250 nan 0.000 0.485 471 I N 2.274 122.825 120.570 -0.032 0.000 2.692 471 I HA -0.060 4.110 4.170 0.000 0.000 0.284 471 I C 0.497 176.564 176.117 -0.083 0.000 1.159 471 I CA 0.233 61.499 61.300 -0.056 0.000 1.423 471 I CB 0.330 38.291 38.000 -0.065 0.000 1.380 471 I HN 0.216 nan 8.210 nan 0.000 0.580 472 K N 8.111 128.445 120.400 -0.110 0.000 2.201 472 K HA 0.256 4.576 4.320 0.000 0.000 0.278 472 K C -1.640 174.756 176.600 -0.340 0.000 1.027 472 K CA -1.948 54.225 56.287 -0.191 0.000 0.909 472 K CB 1.083 33.519 32.500 -0.106 0.000 1.062 472 K HN 0.282 nan 8.250 nan 0.000 0.465 473 P HA -0.199 nan 4.420 nan 0.000 0.216 473 P C 0.606 177.475 177.300 -0.719 0.000 1.150 473 P CA 1.531 64.299 63.100 -0.553 0.000 0.837 473 P CB 0.480 31.767 31.700 -0.690 0.000 0.786 474 Q N -0.471 118.622 119.800 -1.179 0.000 2.124 474 Q HA -0.082 4.258 4.340 0.000 0.000 0.202 474 Q C 2.331 177.770 176.000 -0.936 0.000 0.977 474 Q CA 2.074 57.055 55.803 -1.370 0.000 0.850 474 Q CB -1.505 25.855 28.738 -2.297 0.000 0.901 474 Q HN 0.254 nan 8.270 nan 0.000 0.429 475 T N 0.008 114.193 114.554 -0.615 0.000 2.821 475 T HA -0.093 4.257 4.350 0.000 0.000 0.267 475 T C 1.916 176.482 174.700 -0.222 0.000 1.046 475 T CA 1.182 63.118 62.100 -0.275 0.000 1.139 475 T CB -0.225 68.575 68.868 -0.112 0.000 0.871 475 T HN 0.055 nan 8.240 nan 0.000 0.454 476 V N 2.041 121.821 119.914 -0.223 0.000 2.295 476 V HA -0.151 3.969 4.120 0.000 0.000 0.246 476 V C 2.495 178.534 176.094 -0.091 0.000 1.049 476 V CA 1.222 63.440 62.300 -0.137 0.000 1.024 476 V CB -0.632 31.119 31.823 -0.121 0.000 0.648 476 V HN 0.429 nan 8.190 nan 0.000 0.447 477 I N 0.196 120.707 120.570 -0.098 0.000 2.179 477 I HA -0.225 3.945 4.170 0.000 0.000 0.242 477 I C 2.439 178.518 176.117 -0.063 0.000 1.088 477 I CA 1.746 63.063 61.300 0.027 0.000 1.357 477 I CB -1.293 36.763 38.000 0.093 0.000 1.051 477 I HN 0.383 nan 8.210 nan 0.000 0.409 478 K N 0.949 121.258 120.400 -0.151 0.000 2.032 478 K HA -0.191 4.129 4.320 0.000 0.000 0.209 478 K C 2.150 178.632 176.600 -0.196 0.000 1.048 478 K CA 1.434 57.620 56.287 -0.168 0.000 0.927 478 K CB -0.173 32.245 32.500 -0.138 0.000 0.712 478 K HN 0.308 nan 8.250 nan 0.000 0.441 479 K N 0.602 120.912 120.400 -0.150 0.000 2.025 479 K HA -0.131 4.189 4.320 0.000 0.000 0.207 479 K C 2.110 178.624 176.600 -0.144 0.000 1.049 479 K CA 0.915 57.125 56.287 -0.129 0.000 0.933 479 K CB -0.187 32.259 32.500 -0.089 0.000 0.714 479 K HN -0.002 nan 8.250 nan 0.000 0.438 480 L N 1.069 122.228 121.223 -0.108 0.000 2.083 480 L HA -0.141 4.199 4.340 0.000 0.000 0.209 480 L C 2.323 178.995 176.870 -0.331 0.000 1.083 480 L CA 1.656 56.464 54.840 -0.052 0.000 0.752 480 L CB -0.799 41.355 42.059 0.159 0.000 0.899 480 L HN 0.060 nan 8.230 nan 0.000 0.433 481 S N -0.743 114.519 115.700 -0.730 0.000 2.370 481 S HA -0.302 4.168 4.470 0.000 0.000 0.226 481 S C 2.216 176.303 174.600 -0.856 0.000 1.033 481 S CA 1.959 59.208 58.200 -1.585 0.000 1.011 481 S CB -0.304 62.016 63.200 -1.468 0.000 0.852 481 S HN 0.573 nan 8.310 nan 0.000 0.457 482 K N 0.112 120.217 120.400 -0.493 0.000 2.031 482 K HA -0.014 4.306 4.320 0.000 0.000 0.205 482 K C 1.968 178.440 176.600 -0.212 0.000 1.049 482 K CA 1.448 57.551 56.287 -0.308 0.000 0.939 482 K CB -0.264 32.108 32.500 -0.213 0.000 0.717 482 K HN 0.294 nan 8.250 nan 0.000 0.438 483 V N 1.475 121.290 119.914 -0.165 0.000 2.295 483 V HA -0.253 3.867 4.120 0.000 0.000 0.246 483 V C 2.471 178.527 176.094 -0.063 0.000 1.049 483 V CA 2.050 64.300 62.300 -0.082 0.000 1.024 483 V CB -0.768 31.039 31.823 -0.027 0.000 0.648 483 V HN 0.513 nan 8.190 nan 0.000 0.447 484 A N 0.459 123.240 122.820 -0.066 0.000 1.858 484 A HA -0.276 4.044 4.320 0.000 0.000 0.216 484 A C 2.033 179.605 177.584 -0.020 0.000 1.190 484 A CA 2.316 54.361 52.037 0.014 0.000 0.617 484 A CB -0.969 18.139 19.000 0.180 0.000 0.827 484 A HN 0.690 nan 8.150 nan 0.000 0.443 485 N N -0.147 118.483 118.700 -0.116 0.000 2.205 485 N HA -0.149 4.591 4.740 0.000 0.000 0.186 485 N C 0.741 176.208 175.510 -0.071 0.000 1.015 485 N CA 1.180 54.168 53.050 -0.104 0.000 0.862 485 N CB -0.182 38.180 38.487 -0.208 0.000 0.986 485 N HN 0.393 nan 8.380 nan 0.000 0.429 486 D N -0.442 119.911 120.400 -0.079 0.000 2.312 486 D HA -0.074 4.566 4.640 0.000 0.000 0.211 486 D C 2.045 178.328 176.300 -0.028 0.000 0.964 486 D CA 0.832 54.800 54.000 -0.054 0.000 0.877 486 D CB -0.329 40.435 40.800 -0.060 0.000 0.924 486 D HN 0.387 nan 8.370 nan 0.000 0.515 487 T N -3.029 111.515 114.554 -0.017 0.000 2.881 487 T HA 0.009 4.359 4.350 0.000 0.000 0.270 487 T C 1.876 176.580 174.700 0.007 0.000 1.068 487 T CA 1.441 63.539 62.100 -0.002 0.000 1.131 487 T CB -0.148 68.723 68.868 0.006 0.000 0.871 487 T HN 0.201 nan 8.240 nan 0.000 0.479 488 G N 1.403 110.209 108.800 0.010 0.000 2.199 488 G HA2 -0.251 3.709 3.960 0.000 0.000 0.254 488 G HA3 -0.251 3.709 3.960 0.000 0.000 0.254 488 G C 0.303 175.229 174.900 0.044 0.000 0.982 488 G CA 0.070 45.182 45.100 0.021 0.000 0.632 488 G HN 0.734 nan 8.290 nan 0.000 0.529 489 R N 0.103 120.632 120.500 0.049 0.000 2.583 489 R HA 0.446 4.786 4.340 0.000 0.000 0.268 489 R C 0.279 176.647 176.300 0.113 0.000 1.101 489 R CA -0.674 55.473 56.100 0.079 0.000 1.180 489 R CB 0.452 30.790 30.300 0.064 0.000 1.128 489 R HN 0.368 nan 8.270 nan 0.000 0.568 490 H N 1.293 120.397 119.070 0.056 0.000 2.742 490 H HA 0.159 4.715 4.556 0.000 0.000 0.302 490 H C -1.038 174.345 175.328 0.091 0.000 1.069 490 H CA -0.159 55.934 56.048 0.076 0.000 1.446 490 H CB 0.638 30.440 29.762 0.067 0.000 1.462 490 H HN 0.104 nan 8.280 nan 0.000 0.499 491 V N 8.037 127.801 119.914 -0.250 0.000 2.435 491 V HA 0.318 4.438 4.120 0.000 0.000 0.290 491 V C 0.386 176.398 176.094 -0.135 0.000 1.030 491 V CA -0.662 61.590 62.300 -0.080 0.000 0.881 491 V CB 1.581 33.469 31.823 0.109 0.000 0.983 491 V HN 0.624 nan 8.190 nan 0.000 0.445 492 I N 4.413 124.972 120.570 -0.019 0.000 2.498 492 I HA 0.535 4.705 4.170 0.000 0.000 0.290 492 I C -0.881 175.249 176.117 0.022 0.000 1.032 492 I CA -0.818 60.500 61.300 0.030 0.000 1.073 492 I CB 2.308 40.355 38.000 0.079 0.000 1.251 492 I HN 0.277 nan 8.210 nan 0.000 0.426 493 V N 4.458 124.402 119.914 0.050 0.000 2.448 493 V HA 0.532 4.652 4.120 0.000 0.000 0.295 493 V C 0.182 176.337 176.094 0.103 0.000 1.025 493 V CA -0.425 61.891 62.300 0.026 0.000 0.859 493 V CB 1.972 33.736 31.823 -0.099 0.000 0.988 493 V HN 0.885 nan 8.190 nan 0.000 0.431 494 T N 0.907 115.491 114.554 0.049 0.000 2.942 494 T HA 0.918 5.268 4.350 0.000 0.000 0.289 494 T C -0.199 174.545 174.700 0.074 0.000 1.044 494 T CA -0.238 61.865 62.100 0.005 0.000 1.023 494 T CB 2.222 71.055 68.868 -0.057 0.000 1.123 494 T HN 0.897 nan 8.240 nan 0.000 0.512 495 T N -1.991 112.613 114.554 0.085 0.000 2.754 495 T HA 0.781 5.131 4.350 0.000 0.000 0.296 495 T C 0.436 175.271 174.700 0.225 0.000 1.205 495 T CA -0.369 61.844 62.100 0.188 0.000 1.009 495 T CB 1.230 70.230 68.868 0.220 0.000 1.368 495 T HN 1.044 nan 8.240 nan 0.000 0.509 496 G N -0.451 108.605 108.800 0.428 0.000 2.695 496 G HA2 0.622 4.582 3.960 0.000 0.000 0.213 496 G HA3 0.622 4.582 3.960 0.000 0.000 0.213 496 G C -1.060 173.977 174.900 0.229 0.000 1.406 496 G CA -0.729 44.591 45.100 0.367 0.000 1.049 496 G HN 0.907 nan 8.290 nan 0.000 0.573 497 V N -0.037 119.973 119.914 0.160 0.000 2.540 497 V HA 0.819 4.939 4.120 0.000 0.000 0.302 497 V C 0.714 176.748 176.094 -0.099 0.000 1.035 497 V CA 0.726 62.991 62.300 -0.058 0.000 0.873 497 V CB 0.606 32.393 31.823 -0.059 0.000 0.992 497 V HN 1.715 nan 8.190 nan 0.000 0.428 498 G N 3.662 112.289 108.800 -0.288 0.000 2.260 498 G HA2 -0.035 3.925 3.960 0.000 0.000 0.250 498 G HA3 -0.035 3.925 3.960 0.000 0.000 0.250 498 G C 0.079 174.725 174.900 -0.423 0.000 1.340 498 G CA 0.033 44.983 45.100 -0.251 0.000 1.056 498 G HN 0.437 nan 8.290 nan 0.000 0.471 499 Q N -0.668 118.899 119.800 -0.390 0.000 2.084 499 Q HA -0.134 4.207 4.340 0.000 0.000 0.202 499 Q C 2.227 177.846 176.000 -0.634 0.000 0.978 499 Q CA 2.395 57.748 55.803 -0.749 0.000 0.844 499 Q CB -0.285 27.904 28.738 -0.914 0.000 0.898 499 Q HN 0.860 nan 8.270 nan 0.000 0.426 500 H N -0.061 118.965 119.070 -0.074 0.000 2.387 500 H HA -0.146 4.410 4.556 0.000 0.000 0.299 500 H C 2.002 177.415 175.328 0.141 0.000 1.099 500 H CA 1.555 57.724 56.048 0.202 0.000 1.315 500 H CB -0.349 29.511 29.762 0.162 0.000 1.380 500 H HN 0.258 nan 8.280 nan 0.000 0.513 501 Q N 0.090 119.500 119.800 -0.650 0.000 2.079 501 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 501 Q C 1.807 177.770 176.000 -0.061 0.000 0.974 501 Q CA 1.574 57.215 55.803 -0.269 0.000 0.840 501 Q CB 0.074 28.574 28.738 -0.396 0.000 0.898 501 Q HN 0.460 nan 8.270 nan 0.000 0.430 502 M N -0.778 118.686 119.600 -0.227 0.000 2.132 502 M HA -0.146 4.334 4.480 0.000 0.000 0.263 502 M C 1.794 178.031 176.300 -0.104 0.000 1.065 502 M CA 1.023 56.197 55.300 -0.210 0.000 1.122 502 M CB -1.078 31.245 32.600 -0.461 0.000 1.365 502 M HN 0.400 nan 8.290 nan 0.000 0.411 503 W N 0.527 121.793 121.300 -0.056 0.000 2.402 503 W HA 0.010 4.671 4.660 0.000 0.000 0.286 503 W C 2.622 179.184 176.519 0.072 0.000 1.221 503 W CA 1.350 58.696 57.345 0.002 0.000 1.257 503 W CB -1.262 28.199 29.460 0.001 0.000 1.120 503 W HN 0.278 nan 8.180 nan 0.000 0.551 504 A N 0.550 123.564 122.820 0.324 0.000 1.898 504 A HA -0.011 4.309 4.320 0.000 0.000 0.216 504 A C 2.251 179.999 177.584 0.274 0.000 1.181 504 A CA 2.601 54.826 52.037 0.314 0.000 0.620 504 A CB -1.066 18.135 19.000 0.335 0.000 0.819 504 A HN 0.099 nan 8.150 nan 0.000 0.442 505 A N -0.564 122.363 122.820 0.179 0.000 1.877 505 A HA -0.217 4.103 4.320 0.000 0.000 0.216 505 A C 2.158 179.844 177.584 0.170 0.000 1.186 505 A CA 1.743 53.838 52.037 0.096 0.000 0.620 505 A CB -0.582 18.461 19.000 0.072 0.000 0.822 505 A HN 0.665 nan 8.150 nan 0.000 0.443 506 Q N -1.403 118.352 119.800 -0.074 0.000 2.049 506 Q HA -0.107 4.233 4.340 0.000 0.000 0.198 506 Q C 1.808 177.533 176.000 -0.458 0.000 0.971 506 Q CA 1.346 56.846 55.803 -0.505 0.000 0.833 506 Q CB -0.212 27.796 28.738 -1.217 0.000 0.896 506 Q HN 0.776 nan 8.270 nan 0.000 0.434 507 H N -1.671 117.341 119.070 -0.097 0.000 2.548 507 H HA 0.010 4.566 4.556 0.000 0.000 0.265 507 H C 0.222 175.507 175.328 -0.071 0.000 0.969 507 H CA 0.075 56.084 56.048 -0.065 0.000 1.155 507 H CB 0.176 29.874 29.762 -0.106 0.000 1.394 507 H HN 0.280 nan 8.280 nan 0.000 0.570 508 W N 2.331 123.490 121.300 -0.235 0.000 2.237 508 W HA 0.125 4.785 4.660 0.000 0.000 0.335 508 W C -0.526 175.538 176.519 -0.758 0.000 1.230 508 W CA -0.050 56.938 57.345 -0.594 0.000 1.253 508 W CB 1.055 29.895 29.460 -1.034 0.000 1.129 508 W HN -0.231 nan 8.180 nan 0.000 0.590 509 T N 5.502 119.589 114.554 -0.778 0.000 2.811 509 T HA 0.131 4.481 4.350 0.000 0.000 0.309 509 T C -0.759 173.739 174.700 -0.337 0.000 1.005 509 T CA -0.022 61.816 62.100 -0.438 0.000 0.955 509 T CB -0.253 68.405 68.868 -0.350 0.000 0.970 509 T HN 0.216 nan 8.240 nan 0.000 0.496 510 W N 3.009 124.410 121.300 0.168 0.000 2.311 510 W HA 0.423 5.083 4.660 0.000 0.000 0.310 510 W C 1.357 177.922 176.519 0.077 0.000 1.274 510 W CA -0.832 56.602 57.345 0.149 0.000 1.215 510 W CB 0.832 30.334 29.460 0.069 0.000 1.227 510 W HN 0.560 nan 8.180 nan 0.000 0.523 511 R N 1.170 121.845 120.500 0.293 0.000 2.702 511 R HA 0.102 4.442 4.340 0.000 0.000 0.223 511 R C -0.473 175.904 176.300 0.128 0.000 0.953 511 R CA -0.319 55.867 56.100 0.142 0.000 1.068 511 R CB 0.283 30.622 30.300 0.066 0.000 1.600 511 R HN 0.435 nan 8.270 nan 0.000 0.602 512 N N 3.185 121.995 118.700 0.183 0.000 2.362 512 N HA 0.292 5.032 4.740 0.000 0.000 0.298 512 N C -2.807 172.780 175.510 0.128 0.000 1.048 512 N CA -1.704 51.436 53.050 0.149 0.000 0.858 512 N CB 1.882 40.467 38.487 0.163 0.000 1.218 512 N HN -0.126 nan 8.380 nan 0.000 0.488 513 P HA -0.001 nan 4.420 nan 0.000 0.271 513 P C -0.739 176.508 177.300 -0.089 0.000 1.216 513 P CA 0.520 63.526 63.100 -0.155 0.000 0.776 513 P CB 0.419 31.963 31.700 -0.259 0.000 0.881 514 H N 0.244 119.371 119.070 0.096 0.000 2.903 514 H HA -0.093 4.463 4.556 0.000 0.000 0.285 514 H C 0.685 176.084 175.328 0.119 0.000 1.231 514 H CA 1.331 57.431 56.048 0.086 0.000 1.135 514 H CB -2.726 27.085 29.762 0.082 0.000 1.328 514 H HN 0.609 nan 8.280 nan 0.000 0.388 515 T N -3.909 110.753 114.554 0.179 0.000 3.040 515 T HA 0.260 4.610 4.350 0.000 0.000 0.266 515 T C 0.084 174.919 174.700 0.225 0.000 1.005 515 T CA -0.242 61.971 62.100 0.189 0.000 0.906 515 T CB 0.383 69.369 68.868 0.197 0.000 1.082 515 T HN 0.120 nan 8.240 nan 0.000 0.531 516 F N 2.313 122.174 119.950 -0.148 0.000 2.445 516 F HA 0.656 5.183 4.527 0.000 0.000 0.348 516 F C -1.280 174.417 175.800 -0.172 0.000 1.125 516 F CA -2.858 54.944 58.000 -0.330 0.000 0.983 516 F CB 1.036 39.491 39.000 -0.908 0.000 1.198 516 F HN 0.037 nan 8.300 nan 0.000 0.436 517 I N 5.778 126.171 120.570 -0.295 0.000 2.405 517 I HA 0.292 4.462 4.170 0.000 0.000 0.280 517 I C -0.167 175.771 176.117 -0.299 0.000 1.027 517 I CA -0.214 60.950 61.300 -0.226 0.000 1.161 517 I CB 1.478 39.451 38.000 -0.044 0.000 1.300 517 I HN 0.504 nan 8.210 nan 0.000 0.463 518 T N 3.159 117.425 114.554 -0.481 0.000 2.896 518 T HA 0.308 4.658 4.350 0.000 0.000 0.297 518 T C -0.737 173.670 174.700 -0.488 0.000 1.108 518 T CA -0.417 61.412 62.100 -0.453 0.000 1.004 518 T CB 2.015 70.366 68.868 -0.862 0.000 1.159 518 T HN 0.378 nan 8.240 nan 0.000 0.499 519 S N 1.718 117.059 115.700 -0.599 0.000 2.400 519 S HA 0.512 4.982 4.470 0.000 0.000 0.295 519 S C 1.119 175.499 174.600 -0.366 0.000 1.113 519 S CA 0.061 57.858 58.200 -0.672 0.000 1.064 519 S CB -0.054 62.666 63.200 -0.800 0.000 0.990 519 S HN 0.868 nan 8.310 nan 0.000 0.502 520 G N 3.809 112.434 108.800 -0.292 0.000 2.742 520 G HA2 0.204 4.164 3.960 0.000 0.000 0.204 520 G HA3 0.204 4.164 3.960 0.000 0.000 0.204 520 G C 1.218 176.031 174.900 -0.145 0.000 1.126 520 G CA 0.414 45.400 45.100 -0.191 0.000 0.829 520 G HN 0.773 nan 8.290 nan 0.000 0.574 521 G N 0.931 109.649 108.800 -0.137 0.000 2.414 521 G HA2 -0.060 3.900 3.960 0.000 0.000 0.215 521 G HA3 -0.060 3.900 3.960 0.000 0.000 0.215 521 G C 1.663 176.510 174.900 -0.089 0.000 1.188 521 G CA 1.089 46.131 45.100 -0.096 0.000 0.783 521 G HN 0.331 nan 8.290 nan 0.000 0.537 522 L N 0.631 121.794 121.223 -0.100 0.000 2.307 522 L HA 0.376 4.716 4.340 0.000 0.000 0.211 522 L C 1.719 178.523 176.870 -0.110 0.000 1.099 522 L CA 1.399 56.189 54.840 -0.083 0.000 0.816 522 L CB -0.330 41.693 42.059 -0.060 0.000 0.952 522 L HN 0.458 nan 8.230 nan 0.000 0.455 523 G N 0.966 109.673 108.800 -0.155 0.000 2.370 523 G HA2 -0.265 3.696 3.960 0.000 0.000 0.295 523 G HA3 -0.265 3.696 3.960 0.000 0.000 0.295 523 G C 0.152 174.970 174.900 -0.137 0.000 1.045 523 G CA 0.506 45.510 45.100 -0.160 0.000 1.199 523 G HN 0.344 nan 8.290 nan 0.000 0.513 524 T N 2.372 116.826 114.554 -0.167 0.000 2.727 524 T HA 0.467 4.817 4.350 0.000 0.000 0.295 524 T C 1.217 175.865 174.700 -0.087 0.000 0.915 524 T CA -0.101 61.934 62.100 -0.109 0.000 1.066 524 T CB 0.593 69.410 68.868 -0.085 0.000 0.891 524 T HN 0.430 nan 8.240 nan 0.000 0.516 525 M N 2.483 122.057 119.600 -0.042 0.000 2.245 525 M HA 0.336 4.816 4.480 0.000 0.000 0.344 525 M C 1.501 177.790 176.300 -0.018 0.000 1.170 525 M CA 0.940 56.236 55.300 -0.005 0.000 1.135 525 M CB 0.377 32.981 32.600 0.007 0.000 1.574 525 M HN 0.985 nan 8.290 nan 0.000 0.452 526 G N 1.411 110.207 108.800 -0.006 0.000 2.195 526 G HA2 -0.309 3.651 3.960 0.000 0.000 0.224 526 G HA3 -0.309 3.651 3.960 0.000 0.000 0.224 526 G C 0.390 175.230 174.900 -0.100 0.000 0.990 526 G CA 0.281 45.353 45.100 -0.046 0.000 0.639 526 G HN 0.790 nan 8.290 nan 0.000 0.514 527 Y N 1.760 121.876 120.300 -0.307 0.000 2.181 527 Y HA 0.137 4.687 4.550 0.000 0.000 0.288 527 Y C 2.636 178.414 175.900 -0.203 0.000 1.146 527 Y CA 2.650 60.483 58.100 -0.444 0.000 1.164 527 Y CB -0.612 37.611 38.460 -0.396 0.000 0.982 527 Y HN 0.270 nan 8.280 nan 0.000 0.515 528 G N 0.910 109.690 108.800 -0.035 0.000 2.631 528 G HA2 -0.378 3.583 3.960 0.000 0.000 0.219 528 G HA3 -0.378 3.583 3.960 0.000 0.000 0.219 528 G C 1.613 176.460 174.900 -0.089 0.000 1.214 528 G CA 1.527 46.601 45.100 -0.043 0.000 0.785 528 G HN 0.459 nan 8.290 nan 0.000 0.596 529 L N 2.517 123.726 121.223 -0.024 0.000 1.976 529 L HA 0.041 4.381 4.340 0.000 0.000 0.209 529 L C 0.435 177.270 176.870 -0.057 0.000 1.071 529 L CA 2.433 57.279 54.840 0.009 0.000 0.746 529 L CB -1.179 40.911 42.059 0.051 0.000 0.890 529 L HN 0.196 nan 8.230 nan 0.000 0.432 530 P HA -0.164 nan 4.420 nan 0.000 0.217 530 P C 1.421 178.608 177.300 -0.189 0.000 1.150 530 P CA 2.094 65.139 63.100 -0.092 0.000 0.832 530 P CB -0.180 31.501 31.700 -0.032 0.000 0.787 531 A N 0.727 123.314 122.820 -0.388 0.000 1.902 531 A HA -0.073 4.248 4.320 0.000 0.000 0.217 531 A C 2.536 179.974 177.584 -0.243 0.000 1.181 531 A CA 2.232 53.964 52.037 -0.508 0.000 0.623 531 A CB -1.541 16.791 19.000 -1.114 0.000 0.818 531 A HN 0.243 nan 8.150 nan 0.000 0.443 532 A N -0.049 122.672 122.820 -0.164 0.000 1.902 532 A HA -0.066 4.254 4.320 0.000 0.000 0.217 532 A C 2.111 179.693 177.584 -0.005 0.000 1.181 532 A CA 1.475 53.478 52.037 -0.056 0.000 0.623 532 A CB -0.592 18.398 19.000 -0.016 0.000 0.818 532 A HN 0.503 nan 8.150 nan 0.000 0.443 533 I N -0.324 120.247 120.570 0.002 0.000 2.179 533 I HA -0.215 3.956 4.170 0.000 0.000 0.242 533 I C 2.707 178.890 176.117 0.110 0.000 1.088 533 I CA 1.214 62.551 61.300 0.062 0.000 1.357 533 I CB -0.662 37.381 38.000 0.071 0.000 1.051 533 I HN 0.400 nan 8.210 nan 0.000 0.409 534 G N 0.402 109.229 108.800 0.044 0.000 2.418 534 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 534 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 534 G C 1.864 176.878 174.900 0.190 0.000 1.158 534 G CA 0.789 45.950 45.100 0.101 0.000 0.771 534 G HN 0.490 nan 8.290 nan 0.000 0.545 535 A N 0.220 123.080 122.820 0.067 0.000 1.933 535 A HA -0.081 4.239 4.320 0.000 0.000 0.218 535 A C 2.297 179.934 177.584 0.088 0.000 1.175 535 A CA 2.213 54.282 52.037 0.054 0.000 0.628 535 A CB -0.410 18.600 19.000 0.017 0.000 0.814 535 A HN 0.423 nan 8.150 nan 0.000 0.444 536 Q N -0.236 119.624 119.800 0.099 0.000 2.119 536 Q HA -0.078 4.262 4.340 0.000 0.000 0.201 536 Q C 1.803 177.884 176.000 0.135 0.000 0.972 536 Q CA 1.900 57.764 55.803 0.102 0.000 0.847 536 Q CB -0.458 28.331 28.738 0.087 0.000 0.903 536 Q HN 0.334 nan 8.270 nan 0.000 0.433 537 V N 0.540 120.576 119.914 0.204 0.000 2.407 537 V HA -0.246 3.875 4.120 0.000 0.000 0.248 537 V C 2.211 178.469 176.094 0.273 0.000 1.055 537 V CA 1.718 64.168 62.300 0.250 0.000 1.049 537 V CB -1.083 30.954 31.823 0.356 0.000 0.662 537 V HN 0.521 nan 8.190 nan 0.000 0.455 538 A N -1.027 121.951 122.820 0.264 0.000 1.930 538 A HA -0.071 4.249 4.320 0.000 0.000 0.217 538 A C 1.388 178.979 177.584 0.011 0.000 1.175 538 A CA 1.197 53.259 52.037 0.040 0.000 0.627 538 A CB -0.029 18.788 19.000 -0.305 0.000 0.815 538 A HN 0.395 nan 8.150 nan 0.000 0.443 539 K N -0.609 119.816 120.400 0.041 0.000 2.624 539 K HA 0.299 4.619 4.320 0.000 0.000 0.200 539 K C -2.548 174.089 176.600 0.062 0.000 1.036 539 K CA -1.801 54.507 56.287 0.035 0.000 1.029 539 K CB 1.207 33.736 32.500 0.048 0.000 1.317 539 K HN 0.070 nan 8.250 nan 0.000 0.555 540 P HA -0.150 nan 4.420 nan 0.000 0.218 540 P C 0.484 177.815 177.300 0.052 0.000 1.146 540 P CA 1.265 64.401 63.100 0.059 0.000 0.813 540 P CB 0.500 32.232 31.700 0.054 0.000 0.778 541 E N -1.397 118.831 120.200 0.047 0.000 2.442 541 E HA 0.076 4.426 4.350 0.000 0.000 0.195 541 E C 0.495 177.140 176.600 0.076 0.000 1.030 541 E CA 0.209 56.638 56.400 0.049 0.000 0.869 541 E CB -0.320 29.401 29.700 0.035 0.000 0.857 541 E HN 0.127 nan 8.360 nan 0.000 0.505 542 S N 0.732 116.495 115.700 0.105 0.000 2.592 542 S HA 0.223 4.693 4.470 0.000 0.000 0.271 542 S C -0.215 174.445 174.600 0.099 0.000 1.326 542 S CA -0.662 57.636 58.200 0.164 0.000 1.024 542 S CB 0.645 64.008 63.200 0.273 0.000 0.921 542 S HN 0.157 nan 8.310 nan 0.000 0.527 543 L N 4.078 125.352 121.223 0.084 0.000 2.283 543 L HA 0.436 4.776 4.340 0.000 0.000 0.287 543 L C -0.983 175.908 176.870 0.034 0.000 1.073 543 L CA -0.007 54.854 54.840 0.034 0.000 0.822 543 L CB 0.134 42.208 42.059 0.026 0.000 1.186 543 L HN 0.360 nan 8.230 nan 0.000 0.436 544 V N 7.362 127.287 119.914 0.019 0.000 2.350 544 V HA 0.438 4.558 4.120 0.000 0.000 0.276 544 V C 0.266 176.361 176.094 0.003 0.000 1.028 544 V CA -0.349 61.965 62.300 0.023 0.000 0.860 544 V CB 1.089 32.933 31.823 0.036 0.000 0.990 544 V HN 0.610 nan 8.190 nan 0.000 0.453 545 I N 3.884 124.464 120.570 0.016 0.000 2.406 545 I HA 0.401 4.571 4.170 0.000 0.000 0.290 545 I C -0.663 175.491 176.117 0.062 0.000 0.999 545 I CA -0.460 60.868 61.300 0.046 0.000 1.124 545 I CB 2.035 40.088 38.000 0.087 0.000 1.289 545 I HN 0.537 nan 8.210 nan 0.000 0.441 546 D N 7.863 128.320 120.400 0.095 0.000 2.412 546 D HA 0.342 4.982 4.640 0.000 0.000 0.224 546 D C -0.490 175.867 176.300 0.094 0.000 1.093 546 D CA -0.232 53.816 54.000 0.080 0.000 0.850 546 D CB 0.781 41.622 40.800 0.068 0.000 1.046 546 D HN 0.324 nan 8.370 nan 0.000 0.507 547 I N 3.864 124.503 120.570 0.116 0.000 2.281 547 I HA 0.181 4.351 4.170 0.000 0.000 0.293 547 I C 0.366 176.551 176.117 0.114 0.000 1.085 547 I CA -0.314 61.065 61.300 0.131 0.000 1.257 547 I CB 0.503 38.627 38.000 0.207 0.000 1.430 547 I HN 0.295 nan 8.210 nan 0.000 0.489 548 D N 4.240 124.579 120.400 -0.102 0.000 2.340 548 D HA 0.558 5.198 4.640 0.000 0.000 0.243 548 D C -0.055 175.762 176.300 -0.806 0.000 0.988 548 D CA -0.177 53.609 54.000 -0.355 0.000 0.959 548 D CB 2.470 43.163 40.800 -0.178 0.000 1.226 548 D HN 0.503 nan 8.370 nan 0.000 0.509 549 G N -0.286 107.871 108.800 -1.072 0.000 2.434 549 G HA2 0.250 4.210 3.960 0.000 0.000 0.330 549 G HA3 0.250 4.210 3.960 0.000 0.000 0.330 549 G C 0.773 175.538 174.900 -0.225 0.000 1.155 549 G CA -0.461 44.246 45.100 -0.656 0.000 0.917 549 G HN 0.496 nan 8.290 nan 0.000 0.493 550 D N 0.518 120.869 120.400 -0.082 0.000 2.117 550 D HA -0.135 4.505 4.640 0.000 0.000 0.198 550 D C 2.265 178.669 176.300 0.173 0.000 0.982 550 D CA 1.221 55.252 54.000 0.051 0.000 0.828 550 D CB -0.416 40.512 40.800 0.214 0.000 0.967 550 D HN 0.364 nan 8.370 nan 0.000 0.464 551 A N 0.888 123.782 122.820 0.123 0.000 1.898 551 A HA -0.079 4.241 4.320 0.000 0.000 0.216 551 A C 2.505 180.145 177.584 0.094 0.000 1.181 551 A CA 1.636 53.741 52.037 0.113 0.000 0.620 551 A CB -0.577 18.468 19.000 0.074 0.000 0.819 551 A HN 0.242 nan 8.150 nan 0.000 0.442 552 S N -1.091 114.661 115.700 0.086 0.000 2.368 552 S HA -0.122 4.348 4.470 0.000 0.000 0.225 552 S C 1.649 176.292 174.600 0.072 0.000 1.030 552 S CA 1.424 59.670 58.200 0.077 0.000 0.999 552 S CB -0.486 62.783 63.200 0.115 0.000 0.844 552 S HN 0.602 nan 8.310 nan 0.000 0.459 553 F N 2.855 122.758 119.950 -0.078 0.000 2.134 553 F HA -0.127 4.400 4.527 0.000 0.000 0.299 553 F C 1.735 177.528 175.800 -0.012 0.000 1.097 553 F CA 1.325 59.269 58.000 -0.094 0.000 1.264 553 F CB -0.749 38.113 39.000 -0.230 0.000 1.001 553 F HN 0.165 nan 8.300 nan 0.000 0.479 554 N N -0.484 118.249 118.700 0.055 0.000 2.205 554 N HA -0.210 4.530 4.740 0.000 0.000 0.186 554 N C 1.913 177.369 175.510 -0.091 0.000 1.015 554 N CA 1.513 54.568 53.050 0.009 0.000 0.862 554 N CB -0.142 38.419 38.487 0.124 0.000 0.986 554 N HN 0.242 nan 8.380 nan 0.000 0.429 555 M N -0.255 119.297 119.600 -0.080 0.000 2.080 555 M HA -0.107 4.373 4.480 0.000 0.000 0.260 555 M C 1.318 177.528 176.300 -0.149 0.000 1.068 555 M CA 1.544 56.789 55.300 -0.091 0.000 1.109 555 M CB -0.953 31.612 32.600 -0.059 0.000 1.342 555 M HN 0.314 nan 8.290 nan 0.000 0.405 556 T N -2.473 111.957 114.554 -0.206 0.000 3.288 556 T HA 0.336 4.686 4.350 0.000 0.000 0.293 556 T C 1.073 175.590 174.700 -0.305 0.000 1.008 556 T CA -0.373 61.599 62.100 -0.213 0.000 0.929 556 T CB -0.531 68.255 68.868 -0.136 0.000 1.152 556 T HN 0.224 nan 8.240 nan 0.000 0.517 557 L N -0.473 120.460 121.223 -0.484 0.000 2.351 557 L HA 0.106 4.446 4.340 0.000 0.000 0.220 557 L C 2.199 178.923 176.870 -0.243 0.000 1.127 557 L CA 1.630 56.088 54.840 -0.636 0.000 0.786 557 L CB -2.028 39.585 42.059 -0.744 0.000 0.914 557 L HN 0.260 nan 8.230 nan 0.000 0.443 558 T N -0.628 113.841 114.554 -0.141 0.000 2.929 558 T HA -0.113 4.237 4.350 0.000 0.000 0.271 558 T C 1.594 176.289 174.700 -0.008 0.000 1.085 558 T CA 1.122 63.197 62.100 -0.043 0.000 1.125 558 T CB -0.372 68.488 68.868 -0.014 0.000 0.874 558 T HN 0.480 nan 8.240 nan 0.000 0.494 559 E N 0.969 121.151 120.200 -0.030 0.000 2.516 559 E HA 0.077 4.427 4.350 0.000 0.000 0.199 559 E C 2.013 178.640 176.600 0.044 0.000 1.069 559 E CA 0.075 56.486 56.400 0.019 0.000 0.876 559 E CB -0.267 29.439 29.700 0.009 0.000 0.843 559 E HN 0.547 nan 8.360 nan 0.000 0.530 560 L N 0.976 122.225 121.223 0.042 0.000 2.042 560 L HA -0.218 4.122 4.340 0.000 0.000 0.210 560 L C 2.461 179.386 176.870 0.091 0.000 1.076 560 L CA 1.676 56.572 54.840 0.093 0.000 0.749 560 L CB -0.548 41.589 42.059 0.130 0.000 0.893 560 L HN 0.165 nan 8.230 nan 0.000 0.432 561 S N -1.661 114.088 115.700 0.082 0.000 2.423 561 S HA -0.137 4.333 4.470 0.000 0.000 0.231 561 S C 2.024 176.678 174.600 0.090 0.000 1.014 561 S CA 1.221 59.471 58.200 0.084 0.000 0.965 561 S CB -0.343 62.905 63.200 0.080 0.000 0.785 561 S HN 0.320 nan 8.310 nan 0.000 0.495 562 S N 2.463 118.220 115.700 0.095 0.000 2.382 562 S HA 0.100 4.570 4.470 0.000 0.000 0.228 562 S C 2.326 176.988 174.600 0.104 0.000 1.027 562 S CA 0.945 59.211 58.200 0.109 0.000 0.991 562 S CB -0.767 62.504 63.200 0.118 0.000 0.823 562 S HN 0.774 nan 8.310 nan 0.000 0.469 563 A N 1.279 124.156 122.820 0.095 0.000 1.902 563 A HA -0.054 4.266 4.320 0.000 0.000 0.217 563 A C 2.340 179.975 177.584 0.085 0.000 1.181 563 A CA 1.559 53.651 52.037 0.091 0.000 0.623 563 A CB -0.895 18.160 19.000 0.090 0.000 0.818 563 A HN 0.347 nan 8.150 nan 0.000 0.443 564 V N -0.081 119.882 119.914 0.082 0.000 2.307 564 V HA -0.310 3.810 4.120 0.000 0.000 0.245 564 V C 2.732 178.869 176.094 0.072 0.000 1.045 564 V CA 2.298 64.641 62.300 0.073 0.000 1.024 564 V CB -0.868 30.997 31.823 0.071 0.000 0.651 564 V HN 0.792 nan 8.190 nan 0.000 0.449 565 Q N 0.108 119.955 119.800 0.079 0.000 2.170 565 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 565 Q C 2.015 178.064 176.000 0.081 0.000 0.976 565 Q CA 1.831 57.682 55.803 0.079 0.000 0.858 565 Q CB -0.250 28.542 28.738 0.091 0.000 0.907 565 Q HN 0.638 nan 8.270 nan 0.000 0.433 566 A N -0.318 122.555 122.820 0.089 0.000 2.169 566 A HA 0.246 4.566 4.320 0.000 0.000 0.212 566 A C 1.480 179.109 177.584 0.075 0.000 1.153 566 A CA 0.781 52.870 52.037 0.088 0.000 0.756 566 A CB -0.482 18.581 19.000 0.105 0.000 0.813 566 A HN 0.638 nan 8.150 nan 0.000 0.471 567 G N 0.081 108.922 108.800 0.069 0.000 2.198 567 G HA2 -0.223 3.737 3.960 0.000 0.000 0.257 567 G HA3 -0.223 3.737 3.960 0.000 0.000 0.257 567 G C 0.294 175.231 174.900 0.062 0.000 1.042 567 G CA 0.648 45.784 45.100 0.060 0.000 0.791 567 G HN 1.431 nan 8.290 nan 0.000 0.502 568 T N -0.810 113.786 114.554 0.070 0.000 2.753 568 T HA 0.631 4.981 4.350 0.000 0.000 0.297 568 T C -1.627 173.107 174.700 0.057 0.000 0.981 568 T CA -1.683 60.459 62.100 0.070 0.000 0.956 568 T CB 2.483 71.403 68.868 0.087 0.000 0.936 568 T HN 0.130 nan 8.240 nan 0.000 0.463 569 P HA 0.143 nan 4.420 nan 0.000 0.225 569 P C 0.598 177.903 177.300 0.008 0.000 1.768 569 P CA -0.366 62.748 63.100 0.025 0.000 0.943 569 P CB -0.610 31.099 31.700 0.015 0.000 1.936 570 V N -1.176 118.754 119.914 0.026 0.000 2.843 570 V HA 0.261 4.381 4.120 0.000 0.000 0.305 570 V C 0.344 176.435 176.094 -0.005 0.000 1.065 570 V CA -0.246 62.064 62.300 0.018 0.000 1.116 570 V CB 0.321 32.173 31.823 0.047 0.000 0.968 570 V HN 0.006 nan 8.190 nan 0.000 0.487 571 K N 5.125 125.494 120.400 -0.052 0.000 2.334 571 K HA 0.542 4.862 4.320 0.000 0.000 0.265 571 K C -0.791 175.927 176.600 0.196 0.000 1.039 571 K CA -0.576 55.633 56.287 -0.129 0.000 0.920 571 K CB 1.265 33.366 32.500 -0.665 0.000 1.160 571 K HN 0.612 nan 8.250 nan 0.000 0.451 572 I N 4.272 125.025 120.570 0.306 0.000 2.304 572 I HA 0.237 4.407 4.170 0.000 0.000 0.291 572 I C 0.015 176.199 176.117 0.112 0.000 1.018 572 I CA -1.060 60.349 61.300 0.181 0.000 1.260 572 I CB 0.500 38.527 38.000 0.045 0.000 1.390 572 I HN 0.363 nan 8.210 nan 0.000 0.475 573 L N 8.548 129.790 121.223 0.031 0.000 2.287 573 L HA 0.564 4.904 4.340 0.000 0.000 0.287 573 L C -0.531 176.163 176.870 -0.294 0.000 1.022 573 L CA -0.006 54.709 54.840 -0.208 0.000 0.814 573 L CB 0.943 42.952 42.059 -0.082 0.000 1.217 573 L HN 0.372 nan 8.230 nan 0.000 0.420 574 I N 6.632 126.957 120.570 -0.407 0.000 2.354 574 I HA 0.249 4.419 4.170 0.000 0.000 0.286 574 I C -0.552 175.394 176.117 -0.285 0.000 1.007 574 I CA -0.472 60.553 61.300 -0.459 0.000 1.167 574 I CB 1.305 38.846 38.000 -0.765 0.000 1.320 574 I HN 0.461 nan 8.210 nan 0.000 0.458 575 L N 6.109 127.214 121.223 -0.197 0.000 2.375 575 L HA 0.207 4.547 4.340 0.000 0.000 0.276 575 L C 0.256 177.101 176.870 -0.042 0.000 1.162 575 L CA -0.252 54.541 54.840 -0.078 0.000 0.991 575 L CB -0.350 41.728 42.059 0.033 0.000 1.315 575 L HN 0.542 nan 8.230 nan 0.000 0.431 576 N N 2.723 121.404 118.700 -0.032 0.000 2.402 576 N HA 0.017 4.757 4.740 0.000 0.000 0.252 576 N C 0.496 176.056 175.510 0.084 0.000 1.118 576 N CA -0.203 52.879 53.050 0.052 0.000 0.945 576 N CB 0.550 39.114 38.487 0.129 0.000 1.147 576 N HN 0.439 nan 8.380 nan 0.000 0.495 577 N N 2.173 120.936 118.700 0.106 0.000 2.204 577 N HA 0.049 4.789 4.740 0.000 0.000 0.219 577 N C -0.753 174.833 175.510 0.127 0.000 1.151 577 N CA -0.224 52.895 53.050 0.115 0.000 0.867 577 N CB -0.273 38.297 38.487 0.138 0.000 1.043 577 N HN 0.545 nan 8.380 nan 0.000 0.516 578 E N 0.224 120.508 120.200 0.140 0.000 2.328 578 E HA -0.279 4.071 4.350 0.000 0.000 0.233 578 E C -0.840 175.859 176.600 0.164 0.000 1.219 578 E CA 1.091 57.586 56.400 0.158 0.000 0.717 578 E CB -1.581 28.210 29.700 0.153 0.000 1.210 578 E HN 0.888 nan 8.360 nan 0.000 0.381 579 E N -1.400 118.851 120.200 0.085 0.000 2.422 579 E HA 0.295 4.645 4.350 0.000 0.000 0.280 579 E C -1.021 175.542 176.600 -0.061 0.000 1.091 579 E CA -0.967 55.391 56.400 -0.070 0.000 0.849 579 E CB 0.797 30.410 29.700 -0.145 0.000 1.353 579 E HN 0.046 nan 8.360 nan 0.000 0.449 580 Q N 0.972 120.685 119.800 -0.145 0.000 2.835 580 Q HA 0.226 4.566 4.340 0.000 0.000 0.235 580 Q C 1.028 176.997 176.000 -0.051 0.000 1.313 580 Q CA 0.200 55.968 55.803 -0.059 0.000 1.053 580 Q CB 0.846 29.547 28.738 -0.063 0.000 1.443 580 Q HN 0.793 nan 8.270 nan 0.000 0.576 581 G N 1.785 110.582 108.800 -0.004 0.000 2.574 581 G HA2 -0.348 3.612 3.960 0.000 0.000 0.220 581 G HA3 -0.348 3.612 3.960 0.000 0.000 0.220 581 G C 1.259 176.175 174.900 0.026 0.000 1.173 581 G CA 0.937 46.046 45.100 0.015 0.000 0.772 581 G HN 0.468 nan 8.290 nan 0.000 0.585 582 M N 0.316 119.920 119.600 0.007 0.000 2.213 582 M HA 0.021 4.501 4.480 0.000 0.000 0.263 582 M C 2.454 178.852 176.300 0.164 0.000 1.062 582 M CA 1.024 56.358 55.300 0.057 0.000 1.105 582 M CB -0.182 32.408 32.600 -0.017 0.000 1.385 582 M HN 0.074 nan 8.290 nan 0.000 0.417 583 V N -0.707 119.258 119.914 0.085 0.000 2.407 583 V HA -0.185 3.935 4.120 0.000 0.000 0.245 583 V C 2.373 178.598 176.094 0.220 0.000 1.041 583 V CA 1.964 64.335 62.300 0.118 0.000 1.040 583 V CB -1.695 30.145 31.823 0.029 0.000 0.671 583 V HN 0.664 nan 8.190 nan 0.000 0.455 584 T N -1.307 113.337 114.554 0.150 0.000 2.833 584 T HA -0.314 4.036 4.350 0.000 0.000 0.269 584 T C 1.832 176.730 174.700 0.331 0.000 1.054 584 T CA 1.821 64.067 62.100 0.243 0.000 1.135 584 T CB -0.361 68.471 68.868 -0.060 0.000 0.869 584 T HN 0.526 nan 8.240 nan 0.000 0.466 585 Q N -0.551 119.403 119.800 0.257 0.000 2.084 585 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 585 Q C 1.892 178.033 176.000 0.236 0.000 0.978 585 Q CA 1.594 57.532 55.803 0.224 0.000 0.844 585 Q CB -0.312 28.545 28.738 0.199 0.000 0.898 585 Q HN 0.706 nan 8.270 nan 0.000 0.426 586 W N 0.896 122.308 121.300 0.187 0.000 2.436 586 W HA -0.041 4.619 4.660 0.000 0.000 0.284 586 W C 2.216 178.947 176.519 0.354 0.000 1.225 586 W CA 0.933 58.467 57.345 0.315 0.000 1.271 586 W CB -0.035 29.625 29.460 0.333 0.000 1.114 586 W HN 0.309 nan 8.180 nan 0.000 0.559 587 Q N -0.720 119.363 119.800 0.471 0.000 2.123 587 Q HA -0.122 4.218 4.340 0.000 0.000 0.199 587 Q C 2.242 178.273 176.000 0.053 0.000 0.966 587 Q CA 1.706 57.718 55.803 0.348 0.000 0.845 587 Q CB -0.324 28.546 28.738 0.219 0.000 0.907 587 Q HN 0.109 nan 8.270 nan 0.000 0.439 588 S N 0.940 116.647 115.700 0.011 0.000 2.355 588 S HA -0.129 4.341 4.470 0.000 0.000 0.222 588 S C 1.777 176.059 174.600 -0.530 0.000 1.031 588 S CA 0.927 58.904 58.200 -0.371 0.000 0.993 588 S CB -0.182 62.982 63.200 -0.061 0.000 0.859 588 S HN 0.242 nan 8.310 nan 0.000 0.453 589 L N 0.273 121.275 121.223 -0.368 0.000 2.095 589 L HA 0.227 4.568 4.340 0.000 0.000 0.204 589 L C 1.348 177.774 176.870 -0.739 0.000 1.080 589 L CA 1.809 56.275 54.840 -0.624 0.000 0.759 589 L CB -0.432 41.084 42.059 -0.906 0.000 0.914 589 L HN 0.270 nan 8.230 nan 0.000 0.439 590 F N -2.968 116.837 119.950 -0.242 0.000 2.720 590 F HA 0.178 4.706 4.527 0.000 0.000 0.301 590 F C 0.409 175.824 175.800 -0.641 0.000 1.103 590 F CA -0.111 57.639 58.000 -0.416 0.000 1.291 590 F CB 0.186 38.906 39.000 -0.467 0.000 1.086 590 F HN -0.086 nan 8.300 nan 0.000 0.592 591 Y N 0.296 120.630 120.300 0.056 0.000 2.699 591 Y HA 0.246 4.796 4.550 0.000 0.000 0.282 591 Y C 0.004 175.858 175.900 -0.076 0.000 1.058 591 Y CA -1.287 56.819 58.100 0.011 0.000 1.194 591 Y CB -0.743 37.733 38.460 0.027 0.000 1.193 591 Y HN 0.044 nan 8.280 nan 0.000 0.562 592 E N 0.123 120.300 120.200 -0.038 0.000 2.165 592 E HA -0.330 4.020 4.350 0.000 0.000 0.203 592 E C -0.632 176.008 176.600 0.067 0.000 1.335 592 E CA 1.047 57.457 56.400 0.016 0.000 0.708 592 E CB -1.660 28.080 29.700 0.066 0.000 1.105 592 E HN 0.817 nan 8.360 nan 0.000 0.346 593 H N -2.579 116.399 119.070 -0.153 0.000 2.862 593 H HA -0.189 4.367 4.556 0.000 0.000 0.290 593 H C -0.057 174.849 175.328 -0.703 0.000 1.211 593 H CA 1.349 57.145 56.048 -0.420 0.000 1.140 593 H CB -1.182 28.493 29.762 -0.146 0.000 1.341 593 H HN 0.313 nan 8.280 nan 0.000 0.392 594 R N 1.056 121.325 120.500 -0.386 0.000 2.235 594 R HA 0.219 4.559 4.340 0.000 0.000 0.338 594 R C -0.727 175.373 176.300 -0.334 0.000 1.087 594 R CA -0.408 55.534 56.100 -0.263 0.000 0.948 594 R CB 0.429 30.695 30.300 -0.057 0.000 1.099 594 R HN 0.288 nan 8.270 nan 0.000 0.483 595 Y N 1.065 121.429 120.300 0.106 0.000 2.650 595 Y HA 0.070 4.620 4.550 0.000 0.000 0.343 595 Y C 0.860 176.768 175.900 0.012 0.000 1.078 595 Y CA -0.348 57.798 58.100 0.078 0.000 1.356 595 Y CB 1.027 39.575 38.460 0.147 0.000 1.204 595 Y HN 0.387 nan 8.280 nan 0.000 0.508 596 S N 4.693 120.410 115.700 0.030 0.000 2.411 596 S HA 0.126 4.596 4.470 0.000 0.000 0.304 596 S C 0.063 174.617 174.600 -0.076 0.000 1.098 596 S CA -0.404 57.711 58.200 -0.143 0.000 1.068 596 S CB -0.412 62.714 63.200 -0.122 0.000 1.032 596 S HN 0.797 nan 8.310 nan 0.000 0.511 597 H N 2.038 121.183 119.070 0.126 0.000 2.713 597 H HA -0.123 4.434 4.556 0.000 0.000 0.311 597 H C 0.885 176.252 175.328 0.065 0.000 1.175 597 H CA 1.278 57.386 56.048 0.100 0.000 1.143 597 H CB -2.436 27.359 29.762 0.055 0.000 1.434 597 H HN 0.717 nan 8.280 nan 0.000 0.418 598 T N -3.305 111.315 114.554 0.110 0.000 3.174 598 T HA 0.260 4.610 4.350 0.000 0.000 0.269 598 T C 0.219 174.718 174.700 -0.335 0.000 1.017 598 T CA -0.286 61.762 62.100 -0.086 0.000 0.899 598 T CB 0.149 68.936 68.868 -0.135 0.000 1.077 598 T HN 0.430 nan 8.240 nan 0.000 0.552 599 H N 2.650 121.757 119.070 0.062 0.000 2.887 599 H HA 0.402 4.958 4.556 0.000 0.000 0.300 599 H C -0.172 175.209 175.328 0.088 0.000 1.038 599 H CA -0.911 55.172 56.048 0.059 0.000 1.352 599 H CB 0.889 30.694 29.762 0.073 0.000 1.473 599 H HN 0.209 nan 8.280 nan 0.000 0.503 600 Q N 2.798 122.684 119.800 0.143 0.000 2.230 600 Q HA 0.189 4.529 4.340 0.000 0.000 0.248 600 Q C -0.693 175.375 176.000 0.114 0.000 0.915 600 Q CA -1.120 54.754 55.803 0.119 0.000 0.900 600 Q CB 2.068 30.861 28.738 0.092 0.000 1.229 600 Q HN 0.528 nan 8.270 nan 0.000 0.439 601 L N 3.066 124.340 121.223 0.084 0.000 2.325 601 L HA 0.283 4.623 4.340 0.000 0.000 0.284 601 L C -0.703 176.177 176.870 0.017 0.000 1.089 601 L CA 0.298 55.169 54.840 0.051 0.000 0.836 601 L CB -0.186 41.895 42.059 0.037 0.000 1.184 601 L HN 0.664 nan 8.230 nan 0.000 0.444 602 N N 6.387 125.075 118.700 -0.020 0.000 2.530 602 N HA 0.403 5.143 4.740 0.000 0.000 0.277 602 N C -2.216 173.132 175.510 -0.271 0.000 1.168 602 N CA -1.140 51.826 53.050 -0.141 0.000 0.979 602 N CB 0.471 38.822 38.487 -0.226 0.000 1.141 602 N HN 0.568 nan 8.380 nan 0.000 0.459 603 P HA 0.072 nan 4.420 nan 0.000 0.282 603 P C -1.117 175.895 177.300 -0.480 0.000 1.287 603 P CA -0.342 62.590 63.100 -0.281 0.000 0.792 603 P CB 0.635 32.255 31.700 -0.134 0.000 1.163 604 D N 0.049 120.298 120.400 -0.252 0.000 2.344 604 D HA 0.061 4.701 4.640 0.000 0.000 0.253 604 D C 0.867 177.104 176.300 -0.106 0.000 1.255 604 D CA -0.206 53.676 54.000 -0.196 0.000 0.894 604 D CB -0.124 40.634 40.800 -0.070 0.000 1.067 604 D HN 0.177 nan 8.370 nan 0.000 0.492 605 F N 2.574 122.549 119.950 0.042 0.000 2.216 605 F HA -0.195 4.332 4.527 0.000 0.000 0.300 605 F C 2.077 177.896 175.800 0.032 0.000 1.085 605 F CA 0.086 58.113 58.000 0.046 0.000 1.326 605 F CB 0.014 38.997 39.000 -0.028 0.000 1.027 605 F HN 0.387 nan 8.300 nan 0.000 0.497 606 I N 0.458 121.137 120.570 0.182 0.000 2.286 606 I HA -0.222 3.949 4.170 0.000 0.000 0.245 606 I C 2.078 178.253 176.117 0.097 0.000 1.104 606 I CA 1.474 62.841 61.300 0.113 0.000 1.397 606 I CB -0.661 37.381 38.000 0.071 0.000 1.072 606 I HN -0.037 nan 8.210 nan 0.000 0.417 607 K N -0.261 120.185 120.400 0.077 0.000 2.148 607 K HA -0.130 4.190 4.320 0.000 0.000 0.204 607 K C 2.040 178.691 176.600 0.085 0.000 1.050 607 K CA 0.983 57.308 56.287 0.063 0.000 0.942 607 K CB -0.315 32.207 32.500 0.037 0.000 0.724 607 K HN 0.163 nan 8.250 nan 0.000 0.446 608 L N 1.185 122.480 121.223 0.120 0.000 2.017 608 L HA -0.126 4.214 4.340 0.000 0.000 0.208 608 L C 2.232 179.198 176.870 0.160 0.000 1.073 608 L CA 1.851 56.783 54.840 0.154 0.000 0.745 608 L CB -0.686 41.522 42.059 0.247 0.000 0.894 608 L HN 0.094 nan 8.230 nan 0.000 0.432 609 A N -0.608 122.318 122.820 0.177 0.000 1.883 609 A HA -0.275 4.045 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 2.095 54.224 52.037 0.153 0.000 0.624 609 A CB -0.806 18.274 19.000 0.134 0.000 0.822 609 A HN 0.638 nan 8.150 nan 0.000 0.444 610 E N -0.464 119.792 120.200 0.094 0.000 2.077 610 E HA -0.095 4.255 4.350 0.000 0.000 0.193 610 E C 2.285 178.927 176.600 0.070 0.000 0.989 610 E CA 0.971 57.416 56.400 0.074 0.000 0.800 610 E CB -0.296 29.441 29.700 0.062 0.000 0.746 610 E HN 0.627 nan 8.360 nan 0.000 0.452 611 A N 0.871 123.735 122.820 0.073 0.000 1.972 611 A HA -0.146 4.174 4.320 0.000 0.000 0.219 611 A C 2.015 179.641 177.584 0.069 0.000 1.169 611 A CA 1.117 53.193 52.037 0.065 0.000 0.635 611 A CB -0.189 18.849 19.000 0.064 0.000 0.810 611 A HN 0.141 nan 8.150 nan 0.000 0.446 612 M N -1.488 118.162 119.600 0.084 0.000 2.618 612 M HA 0.119 4.600 4.480 0.000 0.000 0.240 612 M C 1.401 177.749 176.300 0.079 0.000 1.123 612 M CA 1.053 56.404 55.300 0.085 0.000 1.060 612 M CB -0.554 32.110 32.600 0.106 0.000 1.535 612 M HN 0.764 nan 8.290 nan 0.000 0.507 613 G N 1.245 110.090 108.800 0.074 0.000 2.131 613 G HA2 -0.197 3.763 3.960 0.000 0.000 0.223 613 G HA3 -0.197 3.763 3.960 0.000 0.000 0.223 613 G C -0.328 174.614 174.900 0.070 0.000 0.990 613 G CA -0.244 44.896 45.100 0.066 0.000 0.671 613 G HN 0.357 nan 8.290 nan 0.000 0.521 614 L N -0.260 121.011 121.223 0.080 0.000 2.313 614 L HA 0.687 5.027 4.340 0.000 0.000 0.268 614 L C 0.642 177.560 176.870 0.079 0.000 1.010 614 L CA -1.118 53.772 54.840 0.083 0.000 0.814 614 L CB 1.321 43.440 42.059 0.101 0.000 1.304 614 L HN 0.177 nan 8.230 nan 0.000 0.441 615 K N 0.083 120.530 120.400 0.078 0.000 2.298 615 K HA 0.573 4.894 4.320 0.000 0.000 0.280 615 K C -0.322 176.330 176.600 0.086 0.000 1.032 615 K CA -0.214 56.118 56.287 0.076 0.000 0.958 615 K CB 0.712 33.257 32.500 0.075 0.000 0.978 615 K HN 0.789 nan 8.250 nan 0.000 0.472 616 G N 4.107 112.952 108.800 0.075 0.000 2.461 616 G HA2 0.607 4.567 3.960 0.000 0.000 0.323 616 G HA3 0.607 4.567 3.960 0.000 0.000 0.323 616 G C -1.293 173.639 174.900 0.052 0.000 1.229 616 G CA -0.753 44.389 45.100 0.069 0.000 0.941 616 G HN 0.542 nan 8.290 nan 0.000 0.477 617 L N 1.098 122.340 121.223 0.032 0.000 2.409 617 L HA 0.705 5.045 4.340 0.000 0.000 0.262 617 L C -0.124 176.729 176.870 -0.028 0.000 0.992 617 L CA -1.002 53.843 54.840 0.008 0.000 0.817 617 L CB 2.948 45.015 42.059 0.014 0.000 1.350 617 L HN 0.558 nan 8.230 nan 0.000 0.411 618 R N 1.460 121.947 120.500 -0.022 0.000 2.725 618 R HA 0.864 5.204 4.340 0.000 0.000 0.277 618 R C -2.034 174.245 176.300 -0.036 0.000 0.987 618 R CA -0.526 55.556 56.100 -0.029 0.000 0.901 618 R CB 2.525 32.826 30.300 0.002 0.000 1.207 618 R HN 0.419 nan 8.270 nan 0.000 0.463 619 V N 3.933 123.817 119.914 -0.049 0.000 2.686 619 V HA 0.390 4.510 4.120 0.000 0.000 0.306 619 V C -0.074 175.999 176.094 -0.035 0.000 1.065 619 V CA -0.737 61.536 62.300 -0.045 0.000 0.894 619 V CB 1.990 33.774 31.823 -0.066 0.000 1.004 619 V HN 0.922 nan 8.190 nan 0.000 0.424 620 K N 1.400 121.785 120.400 -0.024 0.000 2.493 620 K HA 0.328 4.648 4.320 0.000 0.000 0.201 620 K C 0.115 176.704 176.600 -0.019 0.000 1.355 620 K CA -0.174 56.103 56.287 -0.017 0.000 0.953 620 K CB 0.827 33.322 32.500 -0.008 0.000 1.316 620 K HN 0.462 nan 8.250 nan 0.000 0.522 621 K N 2.024 122.413 120.400 -0.019 0.000 2.201 621 K HA 0.179 4.499 4.320 0.000 0.000 0.278 621 K C 0.582 177.168 176.600 -0.024 0.000 1.027 621 K CA -0.154 56.122 56.287 -0.018 0.000 0.909 621 K CB 1.363 33.855 32.500 -0.014 0.000 1.062 621 K HN 0.070 nan 8.250 nan 0.000 0.465 622 Q N 1.538 121.324 119.800 -0.024 0.000 2.112 622 Q HA -0.252 4.088 4.340 0.000 0.000 0.206 622 Q C 0.956 176.940 176.000 -0.026 0.000 0.987 622 Q CA 1.855 57.641 55.803 -0.028 0.000 0.858 622 Q CB -0.002 28.721 28.738 -0.025 0.000 0.905 622 Q HN 0.512 nan 8.270 nan 0.000 0.420 623 E N 0.696 120.883 120.200 -0.021 0.000 2.265 623 E HA -0.158 4.192 4.350 0.000 0.000 0.196 623 E C 0.936 177.525 176.600 -0.018 0.000 0.996 623 E CA 1.020 57.409 56.400 -0.018 0.000 0.832 623 E CB 0.019 29.710 29.700 -0.014 0.000 0.756 623 E HN 0.453 nan 8.360 nan 0.000 0.491 624 E N -0.279 119.910 120.200 -0.019 0.000 2.481 624 E HA 0.061 4.411 4.350 0.000 0.000 0.198 624 E C 1.333 177.919 176.600 -0.023 0.000 1.027 624 E CA -0.214 56.175 56.400 -0.018 0.000 0.900 624 E CB 0.161 29.852 29.700 -0.015 0.000 0.993 624 E HN 0.088 nan 8.360 nan 0.000 0.482 625 L N 2.098 123.303 121.223 -0.031 0.000 1.989 625 L HA -0.213 4.128 4.340 0.000 0.000 0.211 625 L C 1.538 178.391 176.870 -0.030 0.000 1.071 625 L CA 2.029 56.845 54.840 -0.040 0.000 0.749 625 L CB -0.329 41.701 42.059 -0.049 0.000 0.890 625 L HN -0.015 nan 8.230 nan 0.000 0.431 626 D N -0.165 120.220 120.400 -0.025 0.000 2.104 626 D HA -0.203 4.437 4.640 0.000 0.000 0.194 626 D C 2.160 178.458 176.300 -0.003 0.000 0.994 626 D CA 1.707 55.697 54.000 -0.017 0.000 0.830 626 D CB -0.316 40.472 40.800 -0.020 0.000 0.959 626 D HN 0.514 nan 8.370 nan 0.000 0.452 627 A N 1.189 124.007 122.820 -0.002 0.000 1.902 627 A HA -0.176 4.144 4.320 0.000 0.000 0.217 627 A C 2.083 179.679 177.584 0.021 0.000 1.181 627 A CA 1.321 53.362 52.037 0.008 0.000 0.623 627 A CB -0.218 18.785 19.000 0.004 0.000 0.818 627 A HN 0.007 nan 8.150 nan 0.000 0.443 628 K N -0.170 120.236 120.400 0.011 0.000 2.097 628 K HA 0.019 4.339 4.320 0.000 0.000 0.205 628 K C 1.900 178.534 176.600 0.056 0.000 1.050 628 K CA 0.935 57.232 56.287 0.017 0.000 0.938 628 K CB -0.603 31.882 32.500 -0.025 0.000 0.718 628 K HN 0.548 nan 8.250 nan 0.000 0.442 629 L N 1.240 122.490 121.223 0.045 0.000 2.093 629 L HA -0.201 4.139 4.340 0.000 0.000 0.208 629 L C 2.905 179.875 176.870 0.167 0.000 1.085 629 L CA 1.881 56.789 54.840 0.115 0.000 0.755 629 L CB -0.713 41.382 42.059 0.059 0.000 0.904 629 L HN 0.194 nan 8.230 nan 0.000 0.435 630 K N 0.202 120.655 120.400 0.089 0.000 2.057 630 K HA -0.208 4.112 4.320 0.000 0.000 0.206 630 K C 1.888 178.536 176.600 0.081 0.000 1.050 630 K CA 1.623 57.951 56.287 0.067 0.000 0.935 630 K CB -0.741 31.779 32.500 0.033 0.000 0.715 630 K HN 0.460 nan 8.250 nan 0.000 0.439 631 E N -1.171 119.085 120.200 0.094 0.000 2.072 631 E HA -0.123 4.227 4.350 0.000 0.000 0.191 631 E C 1.926 178.613 176.600 0.144 0.000 0.985 631 E CA 1.058 57.514 56.400 0.093 0.000 0.801 631 E CB -0.196 29.553 29.700 0.082 0.000 0.750 631 E HN 0.534 nan 8.360 nan 0.000 0.452 632 F N 1.191 121.145 119.950 0.006 0.000 2.043 632 F HA -0.246 4.281 4.527 0.000 0.000 0.297 632 F C 2.081 177.892 175.800 0.018 0.000 1.121 632 F CA 1.506 59.511 58.000 0.009 0.000 1.199 632 F CB -0.724 38.279 39.000 0.005 0.000 0.968 632 F HN -0.127 nan 8.300 nan 0.000 0.478 633 V N 0.235 120.123 119.914 -0.043 0.000 2.515 633 V HA -0.235 3.885 4.120 0.000 0.000 0.250 633 V C 2.355 178.389 176.094 -0.100 0.000 1.058 633 V CA 1.948 64.150 62.300 -0.164 0.000 1.064 633 V CB -1.041 30.764 31.823 -0.030 0.000 0.675 633 V HN 0.584 nan 8.190 nan 0.000 0.461 634 S N -1.975 113.706 115.700 -0.032 0.000 2.575 634 S HA 0.040 4.510 4.470 0.000 0.000 0.215 634 S C 0.901 175.491 174.600 -0.016 0.000 0.966 634 S CA -0.039 58.150 58.200 -0.019 0.000 0.911 634 S CB -0.406 62.796 63.200 0.003 0.000 0.780 634 S HN 0.486 nan 8.310 nan 0.000 0.514 635 T N 3.100 117.640 114.554 -0.022 0.000 2.940 635 T HA 0.164 4.514 4.350 0.000 0.000 0.309 635 T C 1.035 175.722 174.700 -0.021 0.000 1.056 635 T CA -0.014 62.083 62.100 -0.006 0.000 1.137 635 T CB 0.961 69.836 68.868 0.012 0.000 0.976 635 T HN 0.302 nan 8.240 nan 0.000 0.547 636 K N 1.578 121.977 120.400 -0.003 0.000 2.098 636 K HA 0.080 4.400 4.320 0.000 0.000 0.203 636 K C 1.570 178.171 176.600 0.002 0.000 1.051 636 K CA 0.458 56.744 56.287 -0.001 0.000 0.957 636 K CB -0.037 32.468 32.500 0.008 0.000 0.738 636 K HN 0.695 nan 8.250 nan 0.000 0.447 637 G N 2.008 110.815 108.800 0.012 0.000 2.543 637 G HA2 0.215 4.175 3.960 0.000 0.000 0.267 637 G HA3 0.215 4.175 3.960 0.000 0.000 0.267 637 G C -2.633 172.278 174.900 0.019 0.000 1.406 637 G CA -1.046 44.066 45.100 0.020 0.000 1.048 637 G HN -0.061 nan 8.290 nan 0.000 0.548 638 P HA 0.319 nan 4.420 nan 0.000 0.271 638 P C -0.816 176.521 177.300 0.062 0.000 1.218 638 P CA 0.035 63.162 63.100 0.045 0.000 0.780 638 P CB 1.802 33.541 31.700 0.064 0.000 0.901 639 V N 4.213 124.175 119.914 0.080 0.000 3.048 639 V HA 0.526 4.646 4.120 0.000 0.000 0.303 639 V C -1.596 174.638 176.094 0.234 0.000 1.214 639 V CA -1.087 61.298 62.300 0.141 0.000 0.984 639 V CB 2.277 34.187 31.823 0.146 0.000 1.054 639 V HN 0.477 nan 8.190 nan 0.000 0.430 640 L N 5.982 127.317 121.223 0.186 0.000 2.341 640 L HA 0.792 5.132 4.340 0.000 0.000 0.278 640 L C -1.567 175.307 176.870 0.006 0.000 1.005 640 L CA -0.772 54.129 54.840 0.101 0.000 0.818 640 L CB 1.652 43.715 42.059 0.006 0.000 1.259 640 L HN 0.775 nan 8.230 nan 0.000 0.418 641 L N 4.759 125.854 121.223 -0.213 0.000 2.343 641 L HA 0.485 4.825 4.340 0.000 0.000 0.278 641 L C -0.712 175.931 176.870 -0.377 0.000 0.996 641 L CA 0.004 54.605 54.840 -0.398 0.000 0.831 641 L CB 1.698 43.188 42.059 -0.948 0.000 1.232 641 L HN 0.695 nan 8.230 nan 0.000 0.413 642 E N 4.316 124.378 120.200 -0.229 0.000 2.174 642 E HA 0.526 4.877 4.350 0.000 0.000 0.282 642 E C -1.635 174.878 176.600 -0.144 0.000 0.992 642 E CA -0.660 55.631 56.400 -0.183 0.000 0.803 642 E CB 1.504 31.189 29.700 -0.025 0.000 1.090 642 E HN 0.550 nan 8.360 nan 0.000 0.396 643 V N 4.931 124.757 119.914 -0.147 0.000 2.378 643 V HA 0.195 4.315 4.120 0.000 0.000 0.288 643 V C -0.291 175.769 176.094 -0.058 0.000 1.016 643 V CA -0.772 61.462 62.300 -0.110 0.000 0.840 643 V CB 1.463 33.206 31.823 -0.135 0.000 0.994 643 V HN 0.732 nan 8.190 nan 0.000 0.431 644 E N 3.382 123.564 120.200 -0.029 0.000 2.257 644 E HA 0.398 4.749 4.350 0.000 0.000 0.278 644 E C -0.277 176.315 176.600 -0.014 0.000 1.049 644 E CA -0.156 56.244 56.400 0.000 0.000 0.876 644 E CB 1.622 31.328 29.700 0.010 0.000 1.035 644 E HN 0.642 nan 8.360 nan 0.000 0.419 645 V N 0.131 120.044 119.914 -0.002 0.000 3.103 645 V HA 0.407 4.527 4.120 0.000 0.000 0.318 645 V C 0.050 176.150 176.094 0.010 0.000 1.114 645 V CA -1.243 61.045 62.300 -0.021 0.000 1.020 645 V CB 1.889 33.684 31.823 -0.047 0.000 1.085 645 V HN 0.433 nan 8.190 nan 0.000 0.446 646 D N 1.124 121.520 120.400 -0.005 0.000 2.419 646 D HA 0.232 4.872 4.640 0.000 0.000 0.236 646 D C -0.044 176.299 176.300 0.070 0.000 1.165 646 D CA 0.458 54.476 54.000 0.031 0.000 0.882 646 D CB 0.591 41.401 40.800 0.017 0.000 1.201 646 D HN 0.693 nan 8.370 nan 0.000 0.443 647 K N 1.800 122.258 120.400 0.097 0.000 2.185 647 K HA 0.338 4.658 4.320 0.000 0.000 0.240 647 K C -0.048 176.630 176.600 0.130 0.000 0.983 647 K CA -0.953 55.406 56.287 0.120 0.000 0.873 647 K CB 1.105 33.680 32.500 0.125 0.000 1.118 647 K HN 0.218 nan 8.250 nan 0.000 0.441 648 K N -0.318 120.154 120.400 0.121 0.000 3.077 648 K HA -0.143 4.177 4.320 0.000 0.000 0.264 648 K C -0.943 175.763 176.600 0.176 0.000 1.008 648 K CA 0.356 56.716 56.287 0.121 0.000 0.740 648 K CB -2.131 30.429 32.500 0.099 0.000 1.273 648 K HN 0.361 nan 8.250 nan 0.000 0.477 649 V N 2.311 122.365 119.914 0.233 0.000 2.370 649 V HA 0.269 4.389 4.120 0.000 0.000 0.279 649 V C -1.386 174.936 176.094 0.380 0.000 1.029 649 V CA -1.433 61.043 62.300 0.293 0.000 0.870 649 V CB 1.576 33.556 31.823 0.262 0.000 0.984 649 V HN 0.111 nan 8.190 nan 0.000 0.451 650 P HA 0.271 nan 4.420 nan 0.000 0.282 650 P C -0.618 176.854 177.300 0.287 0.000 1.249 650 P CA -0.257 62.984 63.100 0.236 0.000 0.806 650 P CB 1.622 33.431 31.700 0.182 0.000 0.984 651 V N 4.090 124.015 119.914 0.019 0.000 2.461 651 V HA 0.252 4.372 4.120 0.000 0.000 0.275 651 V C 0.669 176.805 176.094 0.069 0.000 1.047 651 V CA 0.092 62.311 62.300 -0.134 0.000 0.955 651 V CB 0.099 31.418 31.823 -0.841 0.000 0.988 651 V HN 0.392 nan 8.190 nan 0.000 0.471 652 L N 6.064 127.427 121.223 0.233 0.000 2.376 652 L HA 0.571 4.911 4.340 0.000 0.000 0.258 652 L C -2.548 174.513 176.870 0.318 0.000 1.013 652 L CA -2.000 53.019 54.840 0.299 0.000 0.822 652 L CB 2.704 44.972 42.059 0.348 0.000 1.388 652 L HN 0.393 nan 8.230 nan 0.000 0.413 653 P HA 0.238 nan 4.420 nan 0.000 0.272 653 P C -1.146 176.314 177.300 0.268 0.000 1.254 653 P CA -0.338 62.887 63.100 0.208 0.000 0.795 653 P CB 0.551 32.223 31.700 -0.047 0.000 1.022 654 M N 0.338 120.067 119.600 0.215 0.000 2.322 654 M HA 0.390 4.870 4.480 0.000 0.000 0.286 654 M C -2.110 174.235 176.300 0.075 0.000 1.111 654 M CA -0.731 54.648 55.300 0.130 0.000 0.941 654 M CB 1.771 34.466 32.600 0.158 0.000 1.671 654 M HN -0.092 nan 8.290 nan 0.000 0.470 655 V N 4.186 124.099 119.914 -0.003 0.000 2.376 655 V HA 0.938 5.058 4.120 0.000 0.000 0.287 655 V C -0.421 175.677 176.094 0.005 0.000 1.015 655 V CA -0.301 62.015 62.300 0.026 0.000 0.834 655 V CB 1.013 32.861 31.823 0.041 0.000 1.001 655 V HN 0.942 nan 8.190 nan 0.000 0.428 656 A N 3.491 126.329 122.820 0.029 0.000 2.569 656 A HA 1.017 5.337 4.320 0.000 0.000 0.290 656 A C 0.482 178.111 177.584 0.075 0.000 1.136 656 A CA 0.074 52.153 52.037 0.071 0.000 0.710 656 A CB 1.416 20.435 19.000 0.031 0.000 1.303 656 A HN 2.018 nan 8.150 nan 0.000 0.413 657 G N 0.016 108.857 108.800 0.069 0.000 2.556 657 G HA2 0.106 4.066 3.960 0.000 0.000 0.283 657 G HA3 0.106 4.066 3.960 0.000 0.000 0.283 657 G C 1.093 176.008 174.900 0.025 0.000 1.177 657 G CA 0.782 45.897 45.100 0.026 0.000 0.978 657 G HN 2.211 nan 8.290 nan 0.000 0.554 658 G N 0.174 108.986 108.800 0.019 0.000 3.284 658 G HA2 0.456 4.416 3.960 0.000 0.000 0.236 658 G HA3 0.456 4.416 3.960 0.000 0.000 0.236 658 G C 0.709 175.617 174.900 0.013 0.000 1.158 658 G CA 1.329 46.437 45.100 0.013 0.000 0.774 658 G HN 1.047 nan 8.290 nan 0.000 0.545 659 S N 0.054 115.764 115.700 0.016 0.000 2.572 659 S HA 0.493 4.963 4.470 0.000 0.000 0.279 659 S C 0.895 175.505 174.600 0.017 0.000 1.341 659 S CA -0.098 58.105 58.200 0.006 0.000 1.043 659 S CB 1.468 64.670 63.200 0.003 0.000 0.887 659 S HN 0.392 nan 8.310 nan 0.000 0.516 660 G N 0.573 109.377 108.800 0.007 0.000 2.528 660 G HA2 0.429 4.389 3.960 0.000 0.000 0.289 660 G HA3 0.429 4.389 3.960 0.000 0.000 0.289 660 G C 0.786 175.708 174.900 0.037 0.000 1.192 660 G CA -0.822 44.295 45.100 0.029 0.000 0.921 660 G HN 0.710 nan 8.290 nan 0.000 0.512 661 L N 0.142 121.405 121.223 0.066 0.000 2.261 661 L HA -0.082 4.258 4.340 0.000 0.000 0.216 661 L C 2.137 179.067 176.870 0.099 0.000 1.114 661 L CA 1.489 56.373 54.840 0.074 0.000 0.777 661 L CB -0.146 41.954 42.059 0.068 0.000 0.910 661 L HN 0.711 nan 8.230 nan 0.000 0.440 662 D N -0.799 119.612 120.400 0.019 0.000 2.339 662 D HA -0.095 4.545 4.640 0.000 0.000 0.217 662 D C 0.578 176.709 176.300 -0.281 0.000 1.050 662 D CA 0.196 54.168 54.000 -0.047 0.000 0.856 662 D CB 0.045 40.788 40.800 -0.096 0.000 0.922 662 D HN 0.396 nan 8.370 nan 0.000 0.518 663 E N 0.787 120.872 120.200 -0.191 0.000 2.598 663 E HA 0.171 4.521 4.350 0.000 0.000 0.233 663 E C -0.407 176.054 176.600 -0.232 0.000 1.173 663 E CA -0.622 55.614 56.400 -0.273 0.000 1.473 663 E CB -0.107 29.514 29.700 -0.133 0.000 1.398 663 E HN 0.299 nan 8.360 nan 0.000 0.431 664 F N -0.820 119.074 119.950 -0.094 0.000 2.378 664 F HA 0.471 4.998 4.527 0.000 0.000 0.319 664 F C 0.221 175.992 175.800 -0.048 0.000 1.155 664 F CA -1.260 56.695 58.000 -0.076 0.000 1.157 664 F CB 0.353 39.290 39.000 -0.104 0.000 1.252 664 F HN -0.173 nan 8.300 nan 0.000 0.550 665 I N 2.013 122.726 120.570 0.239 0.000 2.353 665 I HA 0.248 4.418 4.170 0.000 0.000 0.293 665 I C -0.420 175.887 176.117 0.318 0.000 0.992 665 I CA -0.372 61.029 61.300 0.168 0.000 1.268 665 I CB 1.338 39.385 38.000 0.079 0.000 1.387 665 I HN 0.660 nan 8.210 nan 0.000 0.478 666 N N 4.307 123.191 118.700 0.306 0.000 2.404 666 N HA 0.371 5.111 4.740 0.000 0.000 0.297 666 N C -0.787 174.896 175.510 0.288 0.000 1.163 666 N CA -0.551 52.713 53.050 0.357 0.000 0.864 666 N CB 1.209 39.963 38.487 0.444 0.000 1.247 666 N HN 0.326 nan 8.380 nan 0.000 0.510 667 F N 1.582 121.655 119.950 0.205 0.000 2.572 667 F HA 0.256 4.783 4.527 0.000 0.000 0.370 667 F C -0.226 175.656 175.800 0.137 0.000 1.103 667 F CA 0.243 58.347 58.000 0.175 0.000 1.286 667 F CB 0.447 39.567 39.000 0.200 0.000 1.105 667 F HN 0.330 nan 8.300 nan 0.000 0.583 668 D N 8.260 128.098 120.400 -0.937 0.000 2.478 668 D HA 0.215 4.855 4.640 0.000 0.000 0.240 668 D C -2.077 173.673 176.300 -0.916 0.000 1.364 668 D CA -1.773 51.781 54.000 -0.744 0.000 0.987 668 D CB 2.144 42.775 40.800 -0.280 0.000 1.328 668 D HN 0.245 nan 8.370 nan 0.000 0.584 669 P HA -0.175 nan 4.420 nan 0.000 0.217 669 P C 1.133 178.335 177.300 -0.163 0.000 1.148 669 P CA 0.983 63.859 63.100 -0.372 0.000 0.828 669 P CB 0.738 32.388 31.700 -0.084 0.000 0.783 670 E N -0.163 119.942 120.200 -0.157 0.000 2.072 670 E HA -0.099 4.251 4.350 0.000 0.000 0.191 670 E C 2.042 178.601 176.600 -0.070 0.000 0.985 670 E CA 0.867 57.218 56.400 -0.081 0.000 0.801 670 E CB -0.221 29.437 29.700 -0.070 0.000 0.750 670 E HN -0.046 nan 8.360 nan 0.000 0.452 671 V N 1.248 121.101 119.914 -0.102 0.000 2.427 671 V HA -0.238 3.882 4.120 0.000 0.000 0.248 671 V C 2.358 178.436 176.094 -0.027 0.000 1.051 671 V CA 2.147 64.409 62.300 -0.063 0.000 1.048 671 V CB -0.524 31.256 31.823 -0.073 0.000 0.666 671 V HN 0.370 nan 8.190 nan 0.000 0.456 672 E N 0.330 120.511 120.200 -0.033 0.000 2.077 672 E HA -0.271 4.080 4.350 0.000 0.000 0.193 672 E C 2.498 179.131 176.600 0.055 0.000 0.989 672 E CA 1.209 57.643 56.400 0.057 0.000 0.800 672 E CB -0.155 29.634 29.700 0.148 0.000 0.746 672 E HN 0.357 nan 8.360 nan 0.000 0.452 673 R N 0.542 121.062 120.500 0.033 0.000 2.075 673 R HA -0.155 4.185 4.340 0.000 0.000 0.232 673 R C 2.123 178.436 176.300 0.022 0.000 1.126 673 R CA 1.932 58.053 56.100 0.036 0.000 0.963 673 R CB -0.200 30.117 30.300 0.028 0.000 0.858 673 R HN 0.381 nan 8.270 nan 0.000 0.435 674 Q N -0.292 119.512 119.800 0.007 0.000 2.079 674 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 674 Q C 2.161 178.156 176.000 -0.009 0.000 0.974 674 Q CA 1.110 56.913 55.803 -0.001 0.000 0.840 674 Q CB -0.026 28.708 28.738 -0.007 0.000 0.898 674 Q HN 0.299 nan 8.270 nan 0.000 0.430 675 Q N -0.066 119.739 119.800 0.008 0.000 2.167 675 Q HA -0.096 4.245 4.340 0.000 0.000 0.202 675 Q C 2.088 178.063 176.000 -0.041 0.000 0.970 675 Q CA 1.413 57.231 55.803 0.024 0.000 0.855 675 Q CB -0.286 28.511 28.738 0.098 0.000 0.911 675 Q HN 0.393 nan 8.270 nan 0.000 0.438 676 T N 1.156 115.686 114.554 -0.040 0.000 2.708 676 T HA -0.184 4.166 4.350 0.000 0.000 0.266 676 T C 2.078 176.621 174.700 -0.263 0.000 1.037 676 T CA 2.083 64.095 62.100 -0.146 0.000 1.146 676 T CB -0.203 68.650 68.868 -0.025 0.000 0.865 676 T HN 0.635 nan 8.240 nan 0.000 0.435 677 E N 1.201 121.361 120.200 -0.067 0.000 2.077 677 E HA -0.058 4.293 4.350 0.000 0.000 0.193 677 E C 2.039 178.603 176.600 -0.059 0.000 0.989 677 E CA 1.372 57.780 56.400 0.014 0.000 0.800 677 E CB -1.038 28.682 29.700 0.034 0.000 0.746 677 E HN 0.387 nan 8.360 nan 0.000 0.452 678 L N 0.492 121.639 121.223 -0.126 0.000 2.083 678 L HA -0.065 4.275 4.340 0.000 0.000 0.209 678 L C 2.586 179.247 176.870 -0.348 0.000 1.083 678 L CA 2.574 57.297 54.840 -0.195 0.000 0.752 678 L CB -0.397 41.542 42.059 -0.200 0.000 0.899 678 L HN 0.393 nan 8.230 nan 0.000 0.433 679 R N -1.809 118.414 120.500 -0.462 0.000 2.073 679 R HA -0.184 4.156 4.340 0.000 0.000 0.234 679 R C 2.344 178.580 176.300 -0.108 0.000 1.134 679 R CA 1.496 57.353 56.100 -0.405 0.000 0.952 679 R CB -0.338 29.846 30.300 -0.192 0.000 0.850 679 R HN 0.507 nan 8.270 nan 0.000 0.433 680 H N 0.578 119.650 119.070 0.003 0.000 2.387 680 H HA -0.080 4.476 4.556 0.000 0.000 0.299 680 H C 1.915 177.248 175.328 0.009 0.000 1.090 680 H CA 1.514 57.578 56.048 0.027 0.000 1.332 680 H CB 0.002 29.774 29.762 0.017 0.000 1.386 680 H HN 0.281 nan 8.280 nan 0.000 0.516 681 K N 0.600 121.056 120.400 0.093 0.000 2.001 681 K HA -0.048 4.272 4.320 0.000 0.000 0.208 681 K C 2.448 179.068 176.600 0.033 0.000 1.048 681 K CA 0.754 57.069 56.287 0.047 0.000 0.932 681 K CB 0.005 32.515 32.500 0.015 0.000 0.715 681 K HN 0.143 nan 8.250 nan 0.000 0.437 682 R N 0.474 120.975 120.500 0.002 0.000 2.105 682 R HA -0.093 4.247 4.340 0.000 0.000 0.239 682 R C 2.153 178.493 176.300 0.067 0.000 1.135 682 R CA 1.810 57.922 56.100 0.020 0.000 0.967 682 R CB -0.413 29.882 30.300 -0.009 0.000 0.861 682 R HN 0.363 nan 8.270 nan 0.000 0.442 683 T N -2.823 111.800 114.554 0.115 0.000 3.169 683 T HA 0.169 4.519 4.350 0.000 0.000 0.250 683 T C 1.191 175.954 174.700 0.105 0.000 1.111 683 T CA 0.343 62.544 62.100 0.169 0.000 1.010 683 T CB 0.550 69.608 68.868 0.318 0.000 0.984 683 T HN 0.385 nan 8.240 nan 0.000 0.537 684 G N 0.901 109.745 108.800 0.073 0.000 2.225 684 G HA2 0.061 4.021 3.960 0.000 0.000 0.267 684 G HA3 0.061 4.021 3.960 0.000 0.000 0.267 684 G C 1.085 176.001 174.900 0.028 0.000 1.024 684 G CA 0.333 45.459 45.100 0.042 0.000 0.784 684 G HN 1.785 nan 8.290 nan 0.000 0.507 685 G N -1.097 107.736 108.800 0.055 0.000 2.184 685 G HA2 -0.335 3.625 3.960 0.000 0.000 0.264 685 G HA3 -0.335 3.625 3.960 0.000 0.000 0.264 685 G C 1.155 176.034 174.900 -0.036 0.000 0.975 685 G CA 1.424 46.537 45.100 0.023 0.000 0.642 685 G HN 0.911 nan 8.290 nan 0.000 0.536 686 K N -0.611 119.743 120.400 -0.076 0.000 2.217 686 K HA 0.076 4.396 4.320 0.000 0.000 0.202 686 K C 0.959 177.180 176.600 -0.632 0.000 1.051 686 K CA 1.032 57.120 56.287 -0.331 0.000 0.952 686 K CB 0.031 32.324 32.500 -0.346 0.000 0.736 686 K HN 0.636 nan 8.250 nan 0.000 0.453 687 H N 0.000 119.141 119.070 0.118 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.122 56.048 0.123 0.000 1.023 687 H CB 0.000 29.776 29.762 0.023 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496