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 3din_1_C DATA FIRST_RESID 8 DATA SEQUENCE AFKIPELRDR IIFTFLALIV FRMGIYIPVP GLNLXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXSFYDVF TGGALSRFSV FTMSVTPYIT ASIILQLLAS VMPSLKEMLR DATA SEQUENCE EGEEGRKKFA KYTRRLTLLI GGFQAFFVSF SLARSNPDMV APGVNVLQFT DATA SEQUENCE VLSTMSMLAG TMFLLWLGER ITEKGIGNGI SILIFAGIVA RYPSYIRQAY DATA SEQUENCE LGGLNLLEWI FLIAVALITI FGIILVQQAE RRITIQYARR VTGRRVYGGA DATA SEQUENCE STYLPIKVNQ GGVIPIIFAS AIVSIPSAIA SITNNETLKN LFRAGGFLYL DATA SEQUENCE LIYGLLVFFF TYFYSVVIFD PREISENIRK YGGYIPGLRP GRSTEQYLHR DATA SEQUENCE VLNRVTFIGA VFLVVIALLP YLVQGAIKVN VWIGGTSALI AVGVALDIIQ DATA SEQUENCE QMETHMVMRH YEGFIK 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.349 177.584 -0.392 0.000 1.274 8 A CA 0.000 51.850 52.037 -0.312 0.000 0.836 8 A CB 0.000 18.925 19.000 -0.125 0.000 0.831 9 F N 0.022 119.976 119.950 0.008 0.000 2.559 9 F HA 0.277 4.803 4.527 -0.000 0.000 0.286 9 F C 2.117 177.922 175.800 0.008 0.000 1.108 9 F CA 1.161 59.168 58.000 0.011 0.000 1.436 9 F CB 0.124 39.132 39.000 0.013 0.000 1.130 9 F HN 0.594 nan 8.300 nan 0.000 0.584 10 K N 1.449 121.949 120.400 0.166 0.000 2.057 10 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 10 K C 0.553 177.184 176.600 0.052 0.000 1.049 10 K CA 1.349 57.689 56.287 0.089 0.000 0.931 10 K CB -0.217 32.314 32.500 0.051 0.000 0.714 10 K HN 0.209 nan 8.250 nan 0.000 0.440 11 I N 1.181 121.767 120.570 0.027 0.000 7.316 11 I HA -0.212 3.958 4.170 -0.000 0.000 0.126 11 I C -2.114 174.003 176.117 0.001 0.000 1.806 11 I CA -0.710 60.594 61.300 0.007 0.000 2.125 11 I CB -1.532 36.480 38.000 0.020 0.000 3.572 11 I HN 0.232 nan 8.210 nan 0.000 0.196 12 P HA -0.065 nan 4.420 nan 0.000 0.268 12 P C 0.864 178.150 177.300 -0.022 0.000 1.189 12 P CA 0.591 63.678 63.100 -0.022 0.000 0.771 12 P CB 0.569 32.253 31.700 -0.027 0.000 0.822 13 E N 0.364 120.545 120.200 -0.032 0.000 1.352 13 E HA -0.084 4.265 4.350 -0.000 0.000 0.222 13 E C -0.272 176.298 176.600 -0.050 0.000 1.059 13 E CA 0.190 56.571 56.400 -0.031 0.000 1.210 13 E CB -0.881 28.808 29.700 -0.018 0.000 4.588 13 E HN 0.215 nan 8.360 nan 0.000 0.722 14 L N 3.836 125.019 121.223 -0.066 0.000 2.937 14 L HA 0.195 4.535 4.340 -0.000 0.000 0.294 14 L C 1.182 177.996 176.870 -0.093 0.000 1.059 14 L CA 0.636 55.412 54.840 -0.107 0.000 1.117 14 L CB -0.696 41.307 42.059 -0.093 0.000 1.526 14 L HN 0.044 nan 8.230 nan 0.000 0.437 15 R N 1.971 122.421 120.500 -0.082 0.000 2.346 15 R HA -0.057 4.282 4.340 -0.000 0.000 0.199 15 R C 1.177 177.461 176.300 -0.027 0.000 1.015 15 R CA 1.226 57.296 56.100 -0.049 0.000 1.058 15 R CB -0.339 29.946 30.300 -0.026 0.000 0.921 15 R HN 0.918 nan 8.270 nan 0.000 0.475 16 D N -2.356 118.029 120.400 -0.025 0.000 2.482 16 D HA -0.010 4.630 4.640 -0.000 0.000 0.251 16 D C 1.090 177.467 176.300 0.129 0.000 1.073 16 D CA -0.350 53.704 54.000 0.089 0.000 0.892 16 D CB -0.161 40.712 40.800 0.122 0.000 1.202 16 D HN -0.092 nan 8.370 nan 0.000 0.496 17 R N 1.084 121.589 120.500 0.008 0.000 2.410 17 R HA -0.153 4.187 4.340 -0.000 0.000 0.207 17 R C 2.355 178.279 176.300 -0.628 0.000 1.020 17 R CA 1.408 57.383 56.100 -0.209 0.000 0.796 17 R CB -1.150 29.056 30.300 -0.157 0.000 0.771 17 R HN 0.211 nan 8.270 nan 0.000 0.435 18 I N 1.619 121.906 120.570 -0.471 0.000 2.502 18 I HA -0.284 3.885 4.170 -0.000 0.000 0.258 18 I C 2.191 177.981 176.117 -0.545 0.000 1.172 18 I CA 0.845 61.770 61.300 -0.624 0.000 1.430 18 I CB -0.365 37.268 38.000 -0.612 0.000 1.086 18 I HN 0.226 nan 8.210 nan 0.000 0.440 19 I N 0.877 121.252 120.570 -0.324 0.000 2.045 19 I HA -0.300 3.870 4.170 -0.000 0.000 0.233 19 I C 2.685 178.773 176.117 -0.047 0.000 1.048 19 I CA 2.029 63.265 61.300 -0.107 0.000 1.313 19 I CB -1.706 36.316 38.000 0.036 0.000 1.043 19 I HN 0.342 nan 8.210 nan 0.000 0.393 20 F N 1.143 121.104 119.950 0.018 0.000 2.269 20 F HA -0.104 4.423 4.527 -0.000 0.000 0.301 20 F C 2.392 178.234 175.800 0.070 0.000 1.082 20 F CA 1.269 59.302 58.000 0.055 0.000 1.360 20 F CB -2.054 36.974 39.000 0.047 0.000 1.041 20 F HN -0.052 nan 8.300 nan 0.000 0.512 21 T N 1.267 115.442 114.554 -0.632 0.000 2.622 21 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 21 T C 1.832 176.580 174.700 0.081 0.000 1.047 21 T CA 1.975 63.875 62.100 -0.332 0.000 1.159 21 T CB -0.833 67.733 68.868 -0.504 0.000 0.863 21 T HN 0.387 nan 8.240 nan 0.000 0.422 22 F N 0.849 120.733 119.950 -0.110 0.000 2.134 22 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 22 F C 2.337 178.151 175.800 0.023 0.000 1.097 22 F CA 0.446 58.425 58.000 -0.035 0.000 1.264 22 F CB -0.333 38.646 39.000 -0.036 0.000 1.001 22 F HN 0.080 nan 8.300 nan 0.000 0.479 23 L N -0.078 121.293 121.223 0.246 0.000 2.042 23 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 23 L C 2.813 179.812 176.870 0.214 0.000 1.076 23 L CA 1.103 56.063 54.840 0.200 0.000 0.749 23 L CB -1.002 41.175 42.059 0.197 0.000 0.893 23 L HN 0.110 nan 8.230 nan 0.000 0.432 24 A N 0.529 123.490 122.820 0.235 0.000 1.883 24 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 24 A C 2.234 179.983 177.584 0.275 0.000 1.186 24 A CA 1.569 53.767 52.037 0.269 0.000 0.624 24 A CB -0.795 18.333 19.000 0.214 0.000 0.822 24 A HN 0.382 nan 8.150 nan 0.000 0.444 25 L N -0.513 120.820 121.223 0.182 0.000 2.079 25 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 25 L C 2.489 179.458 176.870 0.165 0.000 1.081 25 L CA 1.324 56.250 54.840 0.143 0.000 0.752 25 L CB -0.831 41.273 42.059 0.074 0.000 0.896 25 L HN 0.391 nan 8.230 nan 0.000 0.433 26 I N -0.320 120.332 120.570 0.137 0.000 2.076 26 I HA -0.269 3.901 4.170 -0.000 0.000 0.237 26 I C 2.515 178.712 176.117 0.134 0.000 1.059 26 I CA 1.406 62.766 61.300 0.100 0.000 1.317 26 I CB -0.535 37.512 38.000 0.078 0.000 1.037 26 I HN 0.007 nan 8.210 nan 0.000 0.398 27 V N 0.359 120.383 119.914 0.183 0.000 2.380 27 V HA -0.293 3.826 4.120 -0.000 0.000 0.251 27 V C 2.254 178.453 176.094 0.175 0.000 1.063 27 V CA 1.942 64.349 62.300 0.178 0.000 1.055 27 V CB -0.886 31.064 31.823 0.211 0.000 0.657 27 V HN 0.250 nan 8.190 nan 0.000 0.455 28 F N 0.096 120.132 119.950 0.142 0.000 2.325 28 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 28 F C 2.519 178.385 175.800 0.110 0.000 1.090 28 F CA 1.075 59.155 58.000 0.134 0.000 1.392 28 F CB -0.310 38.740 39.000 0.084 0.000 1.053 28 F HN -0.031 nan 8.300 nan 0.000 0.521 29 R N -0.179 120.469 120.500 0.247 0.000 2.070 29 R HA -0.171 4.169 4.340 -0.000 0.000 0.233 29 R C 2.161 178.570 176.300 0.181 0.000 1.137 29 R CA 1.945 58.175 56.100 0.217 0.000 0.945 29 R CB -0.511 29.847 30.300 0.096 0.000 0.845 29 R HN 0.279 nan 8.270 nan 0.000 0.430 30 M N -0.377 119.241 119.600 0.029 0.000 2.159 30 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 30 M C 2.398 178.576 176.300 -0.204 0.000 1.063 30 M CA 1.712 56.968 55.300 -0.073 0.000 1.110 30 M CB -0.532 31.978 32.600 -0.149 0.000 1.374 30 M HN 0.326 nan 8.290 nan 0.000 0.411 31 G N 1.067 109.677 108.800 -0.315 0.000 2.442 31 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 31 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 31 G C 1.497 176.103 174.900 -0.490 0.000 1.141 31 G CA 0.923 45.642 45.100 -0.634 0.000 0.763 31 G HN 0.443 nan 8.290 nan 0.000 0.554 32 I N -1.139 119.355 120.570 -0.126 0.000 2.339 32 I HA 0.002 4.171 4.170 -0.000 0.000 0.245 32 I C 1.717 177.789 176.117 -0.075 0.000 1.096 32 I CA 0.488 61.746 61.300 -0.069 0.000 1.408 32 I CB -0.196 37.750 38.000 -0.089 0.000 1.092 32 I HN 0.058 nan 8.210 nan 0.000 0.423 33 Y N 1.621 121.920 120.300 -0.002 0.000 2.584 33 Y HA 0.158 4.708 4.550 -0.000 0.000 0.317 33 Y C 0.998 176.900 175.900 0.004 0.000 1.208 33 Y CA -0.208 57.900 58.100 0.012 0.000 1.299 33 Y CB -1.082 37.376 38.460 -0.005 0.000 1.047 33 Y HN 0.071 nan 8.280 nan 0.000 0.506 34 I N 2.734 123.358 120.570 0.091 0.000 2.880 34 I HA -0.082 4.088 4.170 -0.000 0.000 0.296 34 I C -2.042 174.156 176.117 0.135 0.000 1.220 34 I CA -1.411 59.933 61.300 0.073 0.000 1.435 34 I CB 0.507 38.562 38.000 0.091 0.000 1.339 34 I HN -0.026 nan 8.210 nan 0.000 0.583 35 P HA 0.243 nan 4.420 nan 0.000 0.280 35 P C 0.287 177.656 177.300 0.115 0.000 1.244 35 P CA 0.025 63.179 63.100 0.091 0.000 0.784 35 P CB 1.250 32.981 31.700 0.052 0.000 0.913 36 V N 1.198 121.211 119.914 0.165 0.000 0.370 36 V HA -0.164 3.955 4.120 -0.000 0.000 0.092 36 V C -1.825 174.407 176.094 0.230 0.000 2.785 36 V CA 1.794 64.270 62.300 0.293 0.000 3.837 36 V CB -2.331 29.582 31.823 0.151 0.000 1.086 36 V HN 0.567 nan 8.190 nan 0.000 1.144 37 P HA 0.352 nan 4.420 nan 0.000 0.170 37 P C 1.081 178.355 177.300 -0.043 0.000 0.843 37 P CA 1.439 64.506 63.100 -0.055 0.000 0.929 37 P CB 0.166 31.717 31.700 -0.248 0.000 0.778 38 G N 1.846 110.654 108.800 0.015 0.000 2.467 38 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.302 38 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.302 38 G C 0.957 175.841 174.900 -0.027 0.000 0.930 38 G CA 0.410 45.554 45.100 0.074 0.000 1.008 38 G HN 0.262 nan 8.290 nan 0.000 0.512 39 L N -0.842 120.335 121.223 -0.077 0.000 2.230 39 L HA -0.109 4.231 4.340 -0.000 0.000 0.217 39 L C 1.009 177.834 176.870 -0.076 0.000 1.090 39 L CA 1.703 56.489 54.840 -0.089 0.000 0.771 39 L CB -0.729 41.263 42.059 -0.112 0.000 0.892 39 L HN 0.514 nan 8.230 nan 0.000 0.438 40 N N -0.253 118.404 118.700 -0.072 0.000 2.540 40 N HA 0.503 5.242 4.740 -0.000 0.000 0.275 40 N C -0.572 174.880 175.510 -0.095 0.000 1.053 40 N CA -0.180 52.828 53.050 -0.069 0.000 0.876 40 N CB 2.387 40.828 38.487 -0.077 0.000 1.284 40 N HN 0.028 nan 8.380 nan 0.000 0.518 63 F N 1.993 121.709 119.950 -0.389 0.000 2.259 63 F HA 0.217 4.743 4.527 -0.000 0.000 0.298 63 F C 1.565 177.311 175.800 -0.090 0.000 1.088 63 F CA 1.424 59.235 58.000 -0.316 0.000 1.358 63 F CB -0.186 38.517 39.000 -0.494 0.000 1.040 63 F HN 0.382 nan 8.300 nan 0.000 0.505 64 Y N -0.871 119.591 120.300 0.269 0.000 2.457 64 Y HA -0.064 4.486 4.550 -0.000 0.000 0.292 64 Y C 1.952 177.975 175.900 0.205 0.000 1.125 64 Y CA 0.502 58.755 58.100 0.256 0.000 1.254 64 Y CB -1.029 37.563 38.460 0.219 0.000 1.012 64 Y HN 0.020 nan 8.280 nan 0.000 0.555 65 D N -0.554 119.992 120.400 0.243 0.000 2.149 65 D HA -0.078 4.562 4.640 -0.000 0.000 0.206 65 D C 1.992 178.355 176.300 0.104 0.000 0.967 65 D CA 1.029 55.130 54.000 0.168 0.000 0.848 65 D CB -0.047 40.828 40.800 0.126 0.000 0.998 65 D HN 0.078 nan 8.370 nan 0.000 0.474 66 V N 0.427 120.345 119.914 0.007 0.000 3.380 66 V HA -0.056 4.064 4.120 -0.000 0.000 0.268 66 V C 1.192 177.216 176.094 -0.116 0.000 1.168 66 V CA 0.821 63.059 62.300 -0.102 0.000 1.156 66 V CB -0.412 31.259 31.823 -0.253 0.000 0.785 66 V HN 0.115 nan 8.190 nan 0.000 0.487 67 F N 0.446 120.381 119.950 -0.025 0.000 2.622 67 F HA 0.099 4.626 4.527 -0.000 0.000 0.288 67 F C 2.251 178.130 175.800 0.133 0.000 1.120 67 F CA 0.819 58.842 58.000 0.038 0.000 1.423 67 F CB -0.163 38.876 39.000 0.066 0.000 1.127 67 F HN 0.042 nan 8.300 nan 0.000 0.588 68 T N -0.671 114.094 114.554 0.352 0.000 2.643 68 T HA 0.293 4.643 4.350 -0.000 0.000 0.256 68 T C 0.793 175.684 174.700 0.317 0.000 1.061 68 T CA 1.437 63.728 62.100 0.318 0.000 1.163 68 T CB -0.912 68.102 68.868 0.243 0.000 0.865 68 T HN 0.381 nan 8.240 nan 0.000 0.407 69 G N -0.306 108.612 108.800 0.196 0.000 2.907 69 G HA2 0.447 4.407 3.960 -0.000 0.000 0.686 69 G HA3 0.447 4.407 3.960 -0.000 0.000 0.686 69 G C -0.115 174.837 174.900 0.087 0.000 1.115 69 G CA -0.740 44.431 45.100 0.119 0.000 0.760 69 G HN 1.188 nan 8.290 nan 0.000 0.620 70 G N -0.667 108.160 108.800 0.045 0.000 2.359 70 G HA2 0.634 4.593 3.960 -0.000 0.000 0.303 70 G HA3 0.634 4.593 3.960 -0.000 0.000 0.303 70 G C 0.677 175.605 174.900 0.046 0.000 1.293 70 G CA 0.932 46.055 45.100 0.038 0.000 0.964 70 G HN 2.309 nan 8.290 nan 0.000 0.531 71 A N -1.439 121.415 122.820 0.057 0.000 1.942 71 A HA 0.599 4.919 4.320 -0.000 0.000 0.209 71 A C 1.982 179.605 177.584 0.065 0.000 1.214 71 A CA 1.972 54.057 52.037 0.081 0.000 0.686 71 A CB -0.191 18.886 19.000 0.129 0.000 0.871 71 A HN 0.680 nan 8.150 nan 0.000 0.460 72 L N -2.422 118.825 121.223 0.041 0.000 2.630 72 L HA 0.308 4.647 4.340 -0.000 0.000 0.180 72 L C 1.134 178.014 176.870 0.017 0.000 1.221 72 L CA 1.721 56.556 54.840 -0.008 0.000 0.853 72 L CB -0.171 41.843 42.059 -0.074 0.000 1.172 72 L HN 0.356 nan 8.230 nan 0.000 0.508 73 S N -0.349 115.372 115.700 0.035 0.000 2.663 73 S HA 0.229 4.699 4.470 -0.000 0.000 0.215 73 S C -0.912 173.741 174.600 0.088 0.000 0.758 73 S CA -0.440 57.796 58.200 0.059 0.000 0.967 73 S CB -0.152 63.069 63.200 0.035 0.000 1.586 73 S HN 0.153 nan 8.310 nan 0.000 0.506 74 R N 1.415 121.977 120.500 0.103 0.000 2.483 74 R HA 0.332 4.671 4.340 -0.000 0.000 0.303 74 R C -0.993 175.413 176.300 0.177 0.000 0.987 74 R CA -0.648 55.536 56.100 0.141 0.000 0.881 74 R CB 0.651 31.021 30.300 0.116 0.000 1.177 74 R HN 0.456 nan 8.270 nan 0.000 0.451 75 F N 2.506 122.505 119.950 0.082 0.000 2.533 75 F HA 0.101 4.628 4.527 -0.000 0.000 0.378 75 F C -0.434 175.427 175.800 0.102 0.000 1.070 75 F CA 0.498 58.553 58.000 0.092 0.000 1.172 75 F CB 0.645 39.702 39.000 0.095 0.000 1.085 75 F HN 0.288 nan 8.300 nan 0.000 0.552 76 S N 5.895 121.385 115.700 -0.350 0.000 2.745 76 S HA 0.243 4.712 4.470 -0.000 0.000 0.283 76 S C 0.643 175.051 174.600 -0.321 0.000 1.170 76 S CA -0.824 57.245 58.200 -0.217 0.000 1.119 76 S CB 1.345 64.499 63.200 -0.078 0.000 1.035 76 S HN 0.573 nan 8.310 nan 0.000 0.483 77 V N 2.052 121.816 119.914 -0.249 0.000 2.594 77 V HA -0.020 4.100 4.120 -0.000 0.000 0.253 77 V C 0.442 176.586 176.094 0.083 0.000 1.069 77 V CA 1.583 63.820 62.300 -0.105 0.000 1.082 77 V CB -0.609 31.266 31.823 0.086 0.000 0.680 77 V HN 0.760 nan 8.190 nan 0.000 0.469 78 F N -0.683 119.243 119.950 -0.040 0.000 2.629 78 F HA 0.452 4.979 4.527 -0.000 0.000 0.316 78 F C 1.365 177.171 175.800 0.009 0.000 1.081 78 F CA -0.415 57.586 58.000 0.002 0.000 0.954 78 F CB 1.317 40.361 39.000 0.073 0.000 1.337 78 F HN 0.018 nan 8.300 nan 0.000 0.474 79 T N 1.316 115.243 114.554 -1.045 0.000 2.341 79 T HA -0.249 4.101 4.350 -0.000 0.000 0.231 79 T C 0.610 175.145 174.700 -0.275 0.000 1.443 79 T CA 1.632 63.333 62.100 -0.665 0.000 1.212 79 T CB -0.432 67.938 68.868 -0.830 0.000 0.862 79 T HN 0.498 nan 8.240 nan 0.000 0.398 80 M N 0.541 120.036 119.600 -0.175 0.000 1.988 80 M HA 0.459 4.939 4.480 -0.000 0.000 0.243 80 M C -0.333 176.090 176.300 0.205 0.000 0.897 80 M CA -0.103 55.228 55.300 0.051 0.000 0.935 80 M CB 1.551 34.170 32.600 0.032 0.000 1.956 80 M HN 0.280 nan 8.290 nan 0.000 0.389 81 S N 0.192 116.065 115.700 0.289 0.000 3.624 81 S HA 0.140 4.610 4.470 -0.000 0.000 0.244 81 S C 1.019 175.820 174.600 0.335 0.000 1.115 81 S CA 0.027 58.413 58.200 0.311 0.000 0.820 81 S CB 0.425 63.833 63.200 0.346 0.000 0.964 81 S HN 0.440 nan 8.310 nan 0.000 0.508 82 V N 2.796 122.876 119.914 0.277 0.000 3.041 82 V HA -0.031 4.089 4.120 -0.000 0.000 0.260 82 V C 2.147 178.409 176.094 0.280 0.000 1.105 82 V CA 1.817 64.263 62.300 0.242 0.000 1.125 82 V CB -1.113 30.818 31.823 0.180 0.000 0.730 82 V HN 0.465 nan 8.190 nan 0.000 0.479 83 T N 1.464 116.161 114.554 0.237 0.000 2.698 83 T HA -0.038 4.311 4.350 -0.000 0.000 0.260 83 T C 0.040 174.852 174.700 0.187 0.000 1.044 83 T CA 1.657 63.875 62.100 0.196 0.000 1.149 83 T CB -1.231 67.726 68.868 0.148 0.000 0.864 83 T HN 0.468 nan 8.240 nan 0.000 0.419 84 P HA -0.072 nan 4.420 nan 0.000 0.228 84 P C 0.717 178.076 177.300 0.099 0.000 1.151 84 P CA 1.000 64.168 63.100 0.112 0.000 0.770 84 P CB -0.080 31.667 31.700 0.078 0.000 0.786 85 Y N 0.812 121.157 120.300 0.076 0.000 2.092 85 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 85 Y C 2.628 178.574 175.900 0.078 0.000 1.126 85 Y CA 1.425 59.566 58.100 0.068 0.000 1.111 85 Y CB -0.792 37.713 38.460 0.075 0.000 0.987 85 Y HN -0.247 nan 8.280 nan 0.000 0.489 86 I N -0.571 120.181 120.570 0.303 0.000 2.264 86 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 86 I C 2.174 178.381 176.117 0.150 0.000 1.111 86 I CA 1.771 63.197 61.300 0.210 0.000 1.382 86 I CB -1.769 36.344 38.000 0.189 0.000 1.060 86 I HN 0.280 nan 8.210 nan 0.000 0.418 87 T N 1.470 116.106 114.554 0.137 0.000 2.622 87 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 87 T C 2.093 176.838 174.700 0.075 0.000 1.047 87 T CA 1.882 64.044 62.100 0.103 0.000 1.159 87 T CB -0.404 68.525 68.868 0.102 0.000 0.863 87 T HN 0.476 nan 8.240 nan 0.000 0.422 88 A N 2.166 125.013 122.820 0.044 0.000 1.859 88 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 88 A C 2.598 180.196 177.584 0.024 0.000 1.209 88 A CA 3.222 55.257 52.037 -0.003 0.000 0.639 88 A CB -1.413 17.534 19.000 -0.088 0.000 0.835 88 A HN 0.659 nan 8.150 nan 0.000 0.450 89 S N -0.209 115.522 115.700 0.050 0.000 2.392 89 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 89 S C 1.709 176.354 174.600 0.075 0.000 1.041 89 S CA 1.848 60.091 58.200 0.072 0.000 1.026 89 S CB -0.708 62.556 63.200 0.107 0.000 0.845 89 S HN 0.313 nan 8.310 nan 0.000 0.465 90 I N 1.927 122.545 120.570 0.081 0.000 2.252 90 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 90 I C 2.237 178.396 176.117 0.071 0.000 1.102 90 I CA 0.453 61.801 61.300 0.080 0.000 1.385 90 I CB -0.604 37.448 38.000 0.087 0.000 1.064 90 I HN 0.240 nan 8.210 nan 0.000 0.414 91 I N 0.717 121.325 120.570 0.064 0.000 2.053 91 I HA -0.321 3.848 4.170 -0.000 0.000 0.236 91 I C 2.642 178.800 176.117 0.069 0.000 1.038 91 I CA 2.174 63.509 61.300 0.059 0.000 1.304 91 I CB -1.838 36.187 38.000 0.041 0.000 1.023 91 I HN 0.289 nan 8.210 nan 0.000 0.395 92 L N -0.529 120.738 121.223 0.072 0.000 2.265 92 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 92 L C 2.527 179.487 176.870 0.150 0.000 1.117 92 L CA 1.243 56.166 54.840 0.139 0.000 0.782 92 L CB -0.685 41.468 42.059 0.156 0.000 0.914 92 L HN 0.223 nan 8.230 nan 0.000 0.441 93 Q N 1.165 121.027 119.800 0.103 0.000 1.857 93 Q HA -0.232 4.108 4.340 -0.000 0.000 0.237 93 Q C 2.170 178.201 176.000 0.052 0.000 1.004 93 Q CA 2.412 58.261 55.803 0.077 0.000 0.881 93 Q CB -0.933 27.841 28.738 0.061 0.000 0.946 93 Q HN 0.473 nan 8.270 nan 0.000 0.421 94 L N 0.100 121.349 121.223 0.043 0.000 2.079 94 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 94 L C 2.390 179.272 176.870 0.021 0.000 1.081 94 L CA 1.442 56.295 54.840 0.021 0.000 0.752 94 L CB -1.050 41.031 42.059 0.036 0.000 0.896 94 L HN 0.451 nan 8.230 nan 0.000 0.433 95 L N -0.339 120.914 121.223 0.051 0.000 1.944 95 L HA -0.247 4.093 4.340 -0.000 0.000 0.218 95 L C 2.667 179.576 176.870 0.065 0.000 1.075 95 L CA 1.752 56.629 54.840 0.061 0.000 0.767 95 L CB -0.727 41.384 42.059 0.087 0.000 0.890 95 L HN 0.275 nan 8.230 nan 0.000 0.434 96 A N -1.284 121.595 122.820 0.099 0.000 2.070 96 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 96 A C 2.328 179.941 177.584 0.048 0.000 1.159 96 A CA 1.726 53.812 52.037 0.083 0.000 0.656 96 A CB -0.446 18.607 19.000 0.089 0.000 0.800 96 A HN 0.440 nan 8.150 nan 0.000 0.453 97 S N -0.307 115.386 115.700 -0.012 0.000 2.459 97 S HA -0.138 4.332 4.470 -0.000 0.000 0.204 97 S C 2.110 176.551 174.600 -0.266 0.000 1.102 97 S CA 1.888 59.978 58.200 -0.183 0.000 1.258 97 S CB -0.976 62.106 63.200 -0.196 0.000 1.033 97 S HN 0.954 nan 8.310 nan 0.000 0.398 98 V N -0.580 119.213 119.914 -0.201 0.000 2.469 98 V HA 0.014 4.134 4.120 -0.000 0.000 0.251 98 V C 0.984 177.085 176.094 0.011 0.000 1.064 98 V CA 1.358 63.593 62.300 -0.110 0.000 1.066 98 V CB -0.699 31.098 31.823 -0.043 0.000 0.667 98 V HN 0.435 nan 8.190 nan 0.000 0.461 99 M N 2.798 122.413 119.600 0.025 0.000 2.060 99 M HA 0.521 5.001 4.480 -0.000 0.000 0.342 99 M C -1.630 174.713 176.300 0.073 0.000 1.031 99 M CA -3.123 52.211 55.300 0.055 0.000 0.981 99 M CB 1.411 34.036 32.600 0.042 0.000 1.376 99 M HN -0.008 nan 8.290 nan 0.000 0.397 100 P HA -0.055 nan 4.420 nan 0.000 0.201 100 P C -0.178 177.142 177.300 0.033 0.000 0.995 100 P CA 0.578 63.731 63.100 0.088 0.000 0.866 100 P CB 0.133 31.895 31.700 0.105 0.000 0.652 101 S N -1.093 114.618 115.700 0.018 0.000 2.520 101 S HA 0.371 4.841 4.470 -0.000 0.000 0.324 101 S C 0.372 174.986 174.600 0.024 0.000 1.069 101 S CA -0.664 57.541 58.200 0.008 0.000 1.121 101 S CB -0.245 62.941 63.200 -0.022 0.000 0.971 101 S HN 0.073 nan 8.310 nan 0.000 0.463 102 L N 4.743 125.988 121.223 0.036 0.000 2.547 102 L HA 0.636 4.976 4.340 -0.000 0.000 0.218 102 L C 0.225 177.116 176.870 0.036 0.000 1.048 102 L CA 0.874 55.734 54.840 0.032 0.000 0.859 102 L CB 0.170 42.247 42.059 0.030 0.000 1.128 102 L HN 0.477 nan 8.230 nan 0.000 0.483 103 K N 0.507 120.939 120.400 0.054 0.000 2.592 103 K HA 0.323 4.642 4.320 -0.000 0.000 0.212 103 K C 0.367 177.041 176.600 0.124 0.000 1.013 103 K CA 0.191 56.522 56.287 0.073 0.000 1.034 103 K CB 0.058 32.585 32.500 0.045 0.000 1.292 103 K HN 0.284 nan 8.250 nan 0.000 0.521 104 E N 0.996 121.249 120.200 0.089 0.000 5.279 104 E HA -0.271 4.079 4.350 -0.000 0.000 0.177 104 E C -0.217 176.428 176.600 0.075 0.000 1.169 104 E CA 1.716 58.166 56.400 0.084 0.000 1.892 104 E CB -0.604 29.162 29.700 0.109 0.000 1.841 104 E HN 0.419 nan 8.360 nan 0.000 0.361 105 M N 0.200 119.870 119.600 0.117 0.000 2.336 105 M HA 0.444 4.924 4.480 -0.000 0.000 0.342 105 M C 0.735 177.025 176.300 -0.016 0.000 1.128 105 M CA 0.006 55.356 55.300 0.083 0.000 1.016 105 M CB 1.567 34.284 32.600 0.194 0.000 1.665 105 M HN 0.133 nan 8.290 nan 0.000 0.445 106 L N 1.677 122.842 121.223 -0.097 0.000 3.776 106 L HA 0.460 4.800 4.340 -0.000 0.000 0.190 106 L C -0.218 176.496 176.870 -0.260 0.000 1.238 106 L CA -0.271 54.452 54.840 -0.195 0.000 1.153 106 L CB 0.673 42.640 42.059 -0.153 0.000 1.662 106 L HN 0.603 nan 8.230 nan 0.000 0.759 107 R N 0.115 120.510 120.500 -0.175 0.000 2.533 107 R HA 0.359 4.699 4.340 -0.000 0.000 0.288 107 R C -1.059 175.187 176.300 -0.090 0.000 1.039 107 R CA -0.249 55.764 56.100 -0.145 0.000 0.909 107 R CB 1.966 32.177 30.300 -0.148 0.000 1.195 107 R HN 0.210 nan 8.270 nan 0.000 0.438 108 E N 1.240 121.405 120.200 -0.058 0.000 2.862 108 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 108 E C 0.698 177.282 176.600 -0.026 0.000 0.966 108 E CA 0.301 56.677 56.400 -0.040 0.000 1.257 108 E CB 1.563 31.246 29.700 -0.028 0.000 1.053 108 E HN 0.983 nan 8.360 nan 0.000 0.487 109 G N 1.815 110.600 108.800 -0.026 0.000 2.623 109 G HA2 -0.404 3.555 3.960 -0.000 0.000 0.241 109 G HA3 -0.404 3.555 3.960 -0.000 0.000 0.241 109 G C 1.049 175.946 174.900 -0.006 0.000 1.114 109 G CA 1.479 46.569 45.100 -0.016 0.000 0.682 109 G HN 0.369 nan 8.290 nan 0.000 0.524 110 E N -1.265 118.933 120.200 -0.004 0.000 3.383 110 E HA 0.068 4.418 4.350 -0.000 0.000 0.256 110 E C 1.853 178.452 176.600 -0.001 0.000 1.197 110 E CA 0.998 57.398 56.400 -0.001 0.000 1.851 110 E CB -0.544 29.153 29.700 -0.005 0.000 2.128 110 E HN 0.213 nan 8.360 nan 0.000 0.951 111 E N 0.822 121.019 120.200 -0.006 0.000 2.001 111 E HA -0.062 4.287 4.350 -0.000 0.000 0.195 111 E C 1.873 178.471 176.600 -0.004 0.000 1.002 111 E CA 2.432 58.826 56.400 -0.010 0.000 0.819 111 E CB -0.989 28.704 29.700 -0.012 0.000 0.769 111 E HN 0.281 nan 8.360 nan 0.000 0.454 112 G N 0.278 109.079 108.800 0.000 0.000 2.448 112 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 112 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 112 G C 1.639 176.580 174.900 0.068 0.000 1.127 112 G CA 0.630 45.740 45.100 0.016 0.000 0.766 112 G HN 0.105 nan 8.290 nan 0.000 0.552 113 R N 0.064 120.601 120.500 0.061 0.000 2.092 113 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 113 R C 2.441 178.829 176.300 0.147 0.000 1.119 113 R CA 1.115 57.294 56.100 0.132 0.000 0.970 113 R CB -0.182 30.162 30.300 0.074 0.000 0.864 113 R HN 0.183 nan 8.270 nan 0.000 0.440 114 K N 0.831 121.262 120.400 0.051 0.000 2.076 114 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 114 K C 1.955 178.528 176.600 -0.045 0.000 1.051 114 K CA 1.185 57.469 56.287 -0.004 0.000 0.949 114 K CB -0.023 32.460 32.500 -0.029 0.000 0.726 114 K HN 0.028 nan 8.250 nan 0.000 0.443 115 K N -0.398 119.973 120.400 -0.049 0.000 2.103 115 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 115 K C 1.977 178.490 176.600 -0.146 0.000 1.048 115 K CA 1.531 57.723 56.287 -0.157 0.000 0.930 115 K CB -0.275 32.148 32.500 -0.128 0.000 0.716 115 K HN 0.111 nan 8.250 nan 0.000 0.444 116 F N 1.433 121.331 119.950 -0.088 0.000 2.186 116 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 116 F C 2.053 177.872 175.800 0.031 0.000 1.090 116 F CA 1.049 59.059 58.000 0.017 0.000 1.307 116 F CB -0.311 38.705 39.000 0.027 0.000 1.019 116 F HN -0.062 nan 8.300 nan 0.000 0.489 117 A N 0.734 123.403 122.820 -0.251 0.000 1.898 117 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 117 A C 2.253 179.688 177.584 -0.249 0.000 1.181 117 A CA 1.666 53.502 52.037 -0.335 0.000 0.620 117 A CB -0.657 18.265 19.000 -0.130 0.000 0.819 117 A HN 0.447 nan 8.150 nan 0.000 0.442 118 K N -1.150 119.142 120.400 -0.180 0.000 2.032 118 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 118 K C 1.876 178.445 176.600 -0.052 0.000 1.048 118 K CA 1.877 58.081 56.287 -0.139 0.000 0.927 118 K CB -0.453 31.939 32.500 -0.180 0.000 0.712 118 K HN 0.692 nan 8.250 nan 0.000 0.441 119 Y N 1.107 121.323 120.300 -0.140 0.000 2.274 119 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 119 Y C 2.594 178.389 175.900 -0.175 0.000 1.145 119 Y CA 0.684 58.712 58.100 -0.119 0.000 1.203 119 Y CB -0.080 38.337 38.460 -0.071 0.000 0.984 119 Y HN 0.170 nan 8.280 nan 0.000 0.533 120 T N -0.357 114.109 114.554 -0.148 0.000 2.746 120 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 120 T C 1.697 176.323 174.700 -0.123 0.000 1.039 120 T CA 1.264 63.230 62.100 -0.222 0.000 1.142 120 T CB -0.213 68.413 68.868 -0.403 0.000 0.866 120 T HN 0.224 nan 8.240 nan 0.000 0.444 121 R N 1.091 121.524 120.500 -0.112 0.000 2.147 121 R HA 0.006 4.346 4.340 -0.000 0.000 0.225 121 R C 2.671 178.941 176.300 -0.050 0.000 1.120 121 R CA 1.647 57.696 56.100 -0.086 0.000 0.891 121 R CB -0.367 29.885 30.300 -0.080 0.000 0.822 121 R HN 0.281 nan 8.270 nan 0.000 0.433 122 R N 0.132 120.623 120.500 -0.016 0.000 2.133 122 R HA -0.206 4.134 4.340 -0.000 0.000 0.247 122 R C 2.125 178.415 176.300 -0.016 0.000 1.151 122 R CA 1.362 57.460 56.100 -0.004 0.000 0.971 122 R CB -0.683 29.639 30.300 0.036 0.000 0.866 122 R HN 0.090 nan 8.270 nan 0.000 0.447 123 L N 0.220 121.434 121.223 -0.014 0.000 1.924 123 L HA -0.243 4.097 4.340 -0.000 0.000 0.222 123 L C 2.415 179.281 176.870 -0.006 0.000 1.081 123 L CA 2.370 57.203 54.840 -0.012 0.000 0.780 123 L CB -1.233 40.813 42.059 -0.021 0.000 0.891 123 L HN 0.108 nan 8.230 nan 0.000 0.434 124 T N -1.100 113.443 114.554 -0.018 0.000 2.946 124 T HA -0.151 4.199 4.350 -0.000 0.000 0.271 124 T C 1.988 176.673 174.700 -0.025 0.000 1.104 124 T CA 1.227 63.322 62.100 -0.009 0.000 1.114 124 T CB -0.247 68.602 68.868 -0.032 0.000 0.867 124 T HN 0.238 nan 8.240 nan 0.000 0.513 125 L N 0.297 121.493 121.223 -0.044 0.000 1.961 125 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 125 L C 2.529 179.343 176.870 -0.094 0.000 1.072 125 L CA 0.975 55.782 54.840 -0.054 0.000 0.749 125 L CB -0.530 41.502 42.059 -0.046 0.000 0.889 125 L HN 0.263 nan 8.230 nan 0.000 0.432 126 L N -0.272 120.873 121.223 -0.130 0.000 2.191 126 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 126 L C 2.557 179.135 176.870 -0.487 0.000 1.103 126 L CA 1.438 56.101 54.840 -0.295 0.000 0.769 126 L CB -1.003 40.903 42.059 -0.255 0.000 0.908 126 L HN 0.283 nan 8.230 nan 0.000 0.438 127 I N -0.021 120.460 120.570 -0.149 0.000 2.202 127 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 127 I C 2.620 178.783 176.117 0.076 0.000 1.091 127 I CA 1.418 62.782 61.300 0.107 0.000 1.368 127 I CB -1.821 36.288 38.000 0.182 0.000 1.058 127 I HN 0.203 nan 8.210 nan 0.000 0.410 128 G N 0.590 109.397 108.800 0.013 0.000 2.470 128 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.220 128 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.220 128 G C 1.711 176.623 174.900 0.019 0.000 1.121 128 G CA 0.862 45.986 45.100 0.041 0.000 0.766 128 G HN 0.496 nan 8.290 nan 0.000 0.553 129 G N 0.572 109.311 108.800 -0.100 0.000 2.394 129 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.214 129 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.214 129 G C 1.491 176.403 174.900 0.020 0.000 1.176 129 G CA 0.693 45.732 45.100 -0.102 0.000 0.786 129 G HN 0.290 nan 8.290 nan 0.000 0.533 130 F N 1.083 121.109 119.950 0.126 0.000 2.043 130 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 130 F C 3.035 178.981 175.800 0.244 0.000 1.121 130 F CA 1.617 59.720 58.000 0.171 0.000 1.199 130 F CB -1.001 38.083 39.000 0.140 0.000 0.968 130 F HN 0.143 nan 8.300 nan 0.000 0.478 131 Q N -0.210 119.822 119.800 0.387 0.000 2.234 131 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 131 Q C 2.414 178.561 176.000 0.245 0.000 0.980 131 Q CA 1.174 57.150 55.803 0.288 0.000 0.869 131 Q CB -0.452 28.398 28.738 0.186 0.000 0.912 131 Q HN 0.465 nan 8.270 nan 0.000 0.436 132 A N 0.720 123.650 122.820 0.184 0.000 1.834 132 A HA -0.220 4.099 4.320 -0.000 0.000 0.216 132 A C 1.775 179.388 177.584 0.048 0.000 1.203 132 A CA 1.379 53.466 52.037 0.083 0.000 0.621 132 A CB -1.143 17.885 19.000 0.047 0.000 0.841 132 A HN 0.366 nan 8.150 nan 0.000 0.446 133 F N -1.464 118.457 119.950 -0.048 0.000 2.115 133 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 133 F C 2.076 177.735 175.800 -0.234 0.000 1.092 133 F CA 1.955 59.808 58.000 -0.246 0.000 1.245 133 F CB -0.379 38.509 39.000 -0.188 0.000 0.995 133 F HN 0.265 nan 8.300 nan 0.000 0.481 134 F N -0.204 119.873 119.950 0.212 0.000 2.014 134 F HA -0.228 4.298 4.527 -0.000 0.000 0.295 134 F C 2.364 178.262 175.800 0.163 0.000 1.145 134 F CA 1.748 59.904 58.000 0.260 0.000 1.178 134 F CB -1.147 37.984 39.000 0.218 0.000 0.972 134 F HN -0.343 nan 8.300 nan 0.000 0.476 135 V N -0.542 119.569 119.914 0.328 0.000 2.317 135 V HA -0.368 3.752 4.120 -0.000 0.000 0.251 135 V C 2.315 178.461 176.094 0.085 0.000 1.065 135 V CA 2.139 64.540 62.300 0.169 0.000 1.049 135 V CB -1.206 30.669 31.823 0.087 0.000 0.651 135 V HN 0.327 nan 8.190 nan 0.000 0.450 136 S N -0.531 115.160 115.700 -0.014 0.000 2.359 136 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 136 S C 1.698 176.287 174.600 -0.018 0.000 1.035 136 S CA 1.784 59.918 58.200 -0.110 0.000 1.018 136 S CB -0.526 62.489 63.200 -0.310 0.000 0.876 136 S HN 0.548 nan 8.310 nan 0.000 0.448 137 F N 2.002 121.959 119.950 0.011 0.000 1.993 137 F HA -0.231 4.295 4.527 -0.000 0.000 0.297 137 F C 2.990 178.808 175.800 0.030 0.000 1.177 137 F CA 1.303 59.314 58.000 0.018 0.000 1.182 137 F CB -0.769 38.247 39.000 0.026 0.000 0.958 137 F HN 0.122 nan 8.300 nan 0.000 0.496 138 S N 0.620 116.506 115.700 0.309 0.000 2.378 138 S HA -0.263 4.207 4.470 -0.000 0.000 0.229 138 S C 1.765 176.424 174.600 0.098 0.000 1.052 138 S CA 1.594 59.900 58.200 0.176 0.000 1.084 138 S CB -0.733 62.577 63.200 0.184 0.000 0.950 138 S HN 0.122 nan 8.310 nan 0.000 0.440 139 L N 1.712 122.980 121.223 0.075 0.000 1.944 139 L HA -0.166 4.174 4.340 -0.000 0.000 0.218 139 L C 2.705 179.562 176.870 -0.021 0.000 1.075 139 L CA 2.133 56.979 54.840 0.010 0.000 0.767 139 L CB -1.397 40.650 42.059 -0.020 0.000 0.890 139 L HN 0.352 nan 8.230 nan 0.000 0.434 140 A N -1.555 121.247 122.820 -0.031 0.000 2.104 140 A HA -0.264 4.056 4.320 -0.000 0.000 0.223 140 A C 2.261 179.814 177.584 -0.050 0.000 1.164 140 A CA 2.137 54.124 52.037 -0.083 0.000 0.659 140 A CB -0.494 18.472 19.000 -0.057 0.000 0.808 140 A HN 0.374 nan 8.150 nan 0.000 0.465 141 R N -1.875 118.624 120.500 -0.000 0.000 2.535 141 R HA 0.299 4.639 4.340 -0.000 0.000 0.323 141 R C 0.064 176.361 176.300 -0.005 0.000 0.979 141 R CA 0.727 56.827 56.100 -0.001 0.000 1.120 141 R CB 0.538 30.852 30.300 0.024 0.000 1.306 141 R HN 0.234 nan 8.270 nan 0.000 0.540 142 S N -1.265 114.430 115.700 -0.008 0.000 3.088 142 S HA 0.284 4.754 4.470 -0.000 0.000 0.249 142 S C -0.612 173.977 174.600 -0.018 0.000 0.877 142 S CA -0.589 57.605 58.200 -0.009 0.000 1.184 142 S CB 0.178 63.382 63.200 0.006 0.000 1.170 142 S HN 0.238 nan 8.310 nan 0.000 0.603 143 N N 2.530 121.211 118.700 -0.031 0.000 2.404 143 N HA 0.481 5.221 4.740 -0.000 0.000 0.297 143 N C -2.728 172.755 175.510 -0.045 0.000 1.163 143 N CA -1.640 51.388 53.050 -0.038 0.000 0.864 143 N CB 1.499 39.961 38.487 -0.042 0.000 1.247 143 N HN 0.079 nan 8.380 nan 0.000 0.510 144 P HA 0.055 nan 4.420 nan 0.000 0.272 144 P C -0.613 176.660 177.300 -0.046 0.000 1.223 144 P CA 0.300 63.373 63.100 -0.046 0.000 0.784 144 P CB 0.523 32.192 31.700 -0.052 0.000 0.923 145 D N -0.055 120.320 120.400 -0.041 0.000 2.699 145 D HA -0.190 4.450 4.640 -0.000 0.000 0.239 145 D C 0.737 177.009 176.300 -0.047 0.000 1.136 145 D CA 0.583 54.561 54.000 -0.037 0.000 0.668 145 D CB -1.098 39.682 40.800 -0.032 0.000 1.060 145 D HN 0.427 nan 8.370 nan 0.000 0.429 146 M N -0.047 119.521 119.600 -0.052 0.000 2.697 146 M HA -0.188 4.292 4.480 -0.000 0.000 0.276 146 M C 1.699 177.954 176.300 -0.075 0.000 1.078 146 M CA 2.427 57.685 55.300 -0.070 0.000 1.079 146 M CB -0.014 32.546 32.600 -0.067 0.000 1.207 146 M HN 0.265 nan 8.290 nan 0.000 0.506 147 V N -0.435 119.442 119.914 -0.062 0.000 4.349 147 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 147 V C -0.118 175.926 176.094 -0.084 0.000 0.442 147 V CA 0.569 62.837 62.300 -0.054 0.000 0.865 147 V CB -3.287 28.514 31.823 -0.037 0.000 0.887 147 V HN 0.667 nan 8.190 nan 0.000 1.302 148 A N -0.082 122.662 122.820 -0.125 0.000 2.412 148 A HA 0.753 5.073 4.320 -0.000 0.000 0.334 148 A C -1.039 176.446 177.584 -0.166 0.000 1.419 148 A CA -1.340 50.563 52.037 -0.223 0.000 0.930 148 A CB 0.186 18.994 19.000 -0.320 0.000 1.149 148 A HN 0.431 nan 8.150 nan 0.000 0.515 149 P HA 0.080 nan 4.420 nan 0.000 0.274 149 P C 1.051 178.361 177.300 0.017 0.000 1.224 149 P CA 0.746 63.846 63.100 -0.001 0.000 0.803 149 P CB 0.577 32.320 31.700 0.072 0.000 0.876 150 G N -0.768 108.059 108.800 0.045 0.000 3.863 150 G HA2 0.194 4.154 3.960 -0.000 0.000 0.290 150 G HA3 0.194 4.154 3.960 -0.000 0.000 0.290 150 G C -0.094 174.850 174.900 0.074 0.000 1.018 150 G CA -0.169 44.965 45.100 0.057 0.000 0.824 150 G HN 0.382 nan 8.290 nan 0.000 0.507 151 V N 2.102 122.070 119.914 0.090 0.000 1.935 151 V HA 0.065 4.185 4.120 -0.000 0.000 0.262 151 V C 0.407 176.545 176.094 0.074 0.000 1.726 151 V CA -0.768 61.574 62.300 0.069 0.000 1.656 151 V CB -1.054 30.804 31.823 0.059 0.000 1.532 151 V HN 0.312 nan 8.190 nan 0.000 0.509 152 N N 2.014 120.760 118.700 0.077 0.000 2.423 152 N HA 0.038 4.778 4.740 -0.000 0.000 0.275 152 N C 0.803 176.334 175.510 0.034 0.000 1.283 152 N CA 0.373 53.466 53.050 0.071 0.000 0.932 152 N CB 1.793 40.327 38.487 0.078 0.000 1.185 152 N HN 0.554 nan 8.380 nan 0.000 0.483 153 V N 1.349 121.267 119.914 0.007 0.000 3.103 153 V HA 0.209 4.329 4.120 -0.000 0.000 0.229 153 V C 1.265 177.345 176.094 -0.024 0.000 1.304 153 V CA 0.052 62.346 62.300 -0.009 0.000 1.298 153 V CB 0.132 31.942 31.823 -0.022 0.000 1.093 153 V HN 0.407 nan 8.190 nan 0.000 0.489 154 L N 0.676 121.862 121.223 -0.063 0.000 2.910 154 L HA 0.486 4.826 4.340 -0.000 0.000 0.252 154 L C -0.127 176.691 176.870 -0.087 0.000 1.195 154 L CA 0.183 54.977 54.840 -0.077 0.000 1.003 154 L CB 0.083 42.070 42.059 -0.121 0.000 1.328 154 L HN 0.560 nan 8.230 nan 0.000 0.540 155 Q N -0.941 118.831 119.800 -0.046 0.000 3.050 155 Q HA -0.252 4.088 4.340 -0.000 0.000 0.074 155 Q C -0.026 175.919 176.000 -0.092 0.000 1.613 155 Q CA 0.417 56.209 55.803 -0.018 0.000 0.348 155 Q CB -0.715 28.015 28.738 -0.013 0.000 0.599 155 Q HN 0.221 nan 8.270 nan 0.000 0.321 156 F N 1.749 121.643 119.950 -0.094 0.000 2.773 156 F HA -0.061 4.465 4.527 -0.000 0.000 0.299 156 F C 1.820 177.479 175.800 -0.236 0.000 1.204 156 F CA 1.666 59.590 58.000 -0.126 0.000 1.454 156 F CB 0.421 39.373 39.000 -0.081 0.000 1.117 156 F HN 0.530 nan 8.300 nan 0.000 0.590 157 T N -2.476 111.951 114.554 -0.212 0.000 3.033 157 T HA 0.007 4.357 4.350 -0.000 0.000 0.248 157 T C 2.095 176.343 174.700 -0.752 0.000 1.040 157 T CA 0.806 62.531 62.100 -0.625 0.000 1.133 157 T CB -0.246 68.006 68.868 -1.028 0.000 0.895 157 T HN 0.018 nan 8.240 nan 0.000 0.465 158 V N 1.424 121.035 119.914 -0.504 0.000 2.951 158 V HA 0.083 4.202 4.120 -0.000 0.000 0.255 158 V C 2.232 178.170 176.094 -0.259 0.000 1.088 158 V CA 0.721 62.811 62.300 -0.350 0.000 1.109 158 V CB -0.433 31.307 31.823 -0.137 0.000 0.724 158 V HN 0.252 nan 8.190 nan 0.000 0.471 159 L N -0.204 120.848 121.223 -0.285 0.000 2.072 159 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 159 L C 2.574 179.321 176.870 -0.206 0.000 1.079 159 L CA 2.077 56.736 54.840 -0.301 0.000 0.752 159 L CB -0.497 41.211 42.059 -0.585 0.000 0.906 159 L HN 0.284 nan 8.230 nan 0.000 0.436 160 S N -1.768 113.830 115.700 -0.169 0.000 2.371 160 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 160 S C 1.903 176.407 174.600 -0.160 0.000 1.029 160 S CA 1.613 59.743 58.200 -0.116 0.000 0.978 160 S CB -0.313 62.820 63.200 -0.111 0.000 0.833 160 S HN 0.581 nan 8.310 nan 0.000 0.466 161 T N 2.387 116.797 114.554 -0.241 0.000 2.778 161 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 161 T C 1.681 176.332 174.700 -0.083 0.000 1.050 161 T CA 1.599 63.595 62.100 -0.174 0.000 1.137 161 T CB -0.278 68.466 68.868 -0.206 0.000 0.860 161 T HN 0.406 nan 8.240 nan 0.000 0.468 162 M N 0.499 120.044 119.600 -0.091 0.000 2.074 162 M HA -0.064 4.416 4.480 -0.000 0.000 0.259 162 M C 2.662 178.960 176.300 -0.003 0.000 1.079 162 M CA 1.398 56.670 55.300 -0.046 0.000 1.119 162 M CB -0.533 32.025 32.600 -0.070 0.000 1.297 162 M HN 0.127 nan 8.290 nan 0.000 0.416 163 S N -0.319 115.379 115.700 -0.004 0.000 2.537 163 S HA -0.070 4.400 4.470 -0.000 0.000 0.240 163 S C 1.642 176.297 174.600 0.092 0.000 0.981 163 S CA 0.982 59.227 58.200 0.075 0.000 0.948 163 S CB -0.131 63.108 63.200 0.065 0.000 0.759 163 S HN 0.304 nan 8.310 nan 0.000 0.531 164 M N -0.548 119.057 119.600 0.009 0.000 2.398 164 M HA 0.116 4.596 4.480 -0.000 0.000 0.261 164 M C 1.679 178.027 176.300 0.080 0.000 1.125 164 M CA 0.774 56.081 55.300 0.011 0.000 1.183 164 M CB -0.242 32.328 32.600 -0.049 0.000 1.322 164 M HN 0.268 nan 8.290 nan 0.000 0.467 165 L N 0.421 121.674 121.223 0.050 0.000 2.005 165 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 165 L C 2.728 179.654 176.870 0.093 0.000 1.072 165 L CA 2.091 56.965 54.840 0.055 0.000 0.744 165 L CB -1.292 40.783 42.059 0.026 0.000 0.895 165 L HN 0.254 nan 8.230 nan 0.000 0.433 166 A N -0.515 122.362 122.820 0.094 0.000 1.933 166 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 166 A C 2.408 180.119 177.584 0.212 0.000 1.175 166 A CA 1.602 53.709 52.037 0.116 0.000 0.628 166 A CB -1.361 17.683 19.000 0.073 0.000 0.814 166 A HN 0.442 nan 8.150 nan 0.000 0.444 167 G N -1.028 107.947 108.800 0.291 0.000 2.418 167 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 167 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 167 G C 1.552 176.730 174.900 0.465 0.000 1.158 167 G CA 1.611 47.044 45.100 0.555 0.000 0.771 167 G HN 0.419 nan 8.290 nan 0.000 0.545 168 T N 1.533 116.253 114.554 0.277 0.000 2.759 168 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 168 T C 2.535 177.304 174.700 0.115 0.000 1.042 168 T CA 1.321 63.521 62.100 0.166 0.000 1.140 168 T CB -0.173 68.755 68.868 0.100 0.000 0.864 168 T HN 0.045 nan 8.240 nan 0.000 0.455 169 M N 1.135 120.829 119.600 0.157 0.000 2.067 169 M HA 0.047 4.527 4.480 -0.000 0.000 0.260 169 M C 2.246 178.669 176.300 0.205 0.000 1.069 169 M CA 1.393 56.800 55.300 0.178 0.000 1.117 169 M CB -1.606 31.108 32.600 0.190 0.000 1.334 169 M HN 0.465 nan 8.290 nan 0.000 0.407 170 F N 0.509 120.499 119.950 0.066 0.000 2.161 170 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 170 F C 1.897 177.719 175.800 0.037 0.000 1.089 170 F CA 1.339 59.340 58.000 0.002 0.000 1.282 170 F CB -0.726 38.210 39.000 -0.107 0.000 1.010 170 F HN 0.055 nan 8.300 nan 0.000 0.485 171 L N 0.016 120.666 121.223 -0.954 0.000 2.131 171 L HA -0.049 4.291 4.340 -0.000 0.000 0.206 171 L C 2.246 179.061 176.870 -0.092 0.000 1.087 171 L CA 1.292 55.638 54.840 -0.824 0.000 0.767 171 L CB -1.057 40.657 42.059 -0.576 0.000 0.917 171 L HN 0.318 nan 8.230 nan 0.000 0.441 172 L N -1.129 120.102 121.223 0.013 0.000 1.976 172 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 172 L C 2.368 179.298 176.870 0.099 0.000 1.071 172 L CA 1.798 56.656 54.840 0.030 0.000 0.746 172 L CB -1.196 40.839 42.059 -0.040 0.000 0.890 172 L HN 0.384 nan 8.230 nan 0.000 0.432 173 W N -0.090 121.186 121.300 -0.039 0.000 2.318 173 W HA -0.301 4.359 4.660 -0.000 0.000 0.313 173 W C 2.428 178.948 176.519 0.003 0.000 1.221 173 W CA 2.054 59.394 57.345 -0.008 0.000 1.266 173 W CB -0.548 28.921 29.460 0.015 0.000 1.150 173 W HN 0.253 nan 8.180 nan 0.000 0.496 174 L N 1.577 122.972 121.223 0.288 0.000 2.017 174 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 174 L C 2.624 179.587 176.870 0.154 0.000 1.073 174 L CA 2.997 57.953 54.840 0.192 0.000 0.745 174 L CB -1.520 40.550 42.059 0.019 0.000 0.894 174 L HN -0.008 nan 8.230 nan 0.000 0.432 175 G N -0.814 108.078 108.800 0.154 0.000 2.553 175 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 175 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 175 G C 1.402 176.366 174.900 0.106 0.000 1.195 175 G CA 0.909 46.125 45.100 0.193 0.000 0.779 175 G HN 0.493 nan 8.290 nan 0.000 0.577 176 E N 0.530 120.757 120.200 0.045 0.000 2.065 176 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 176 E C 2.777 179.370 176.600 -0.012 0.000 1.016 176 E CA 1.297 57.679 56.400 -0.030 0.000 0.818 176 E CB -0.292 29.322 29.700 -0.144 0.000 0.749 176 E HN 0.213 nan 8.360 nan 0.000 0.453 177 R N 0.498 121.013 120.500 0.025 0.000 2.091 177 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 177 R C 2.371 178.705 176.300 0.056 0.000 1.136 177 R CA 0.795 56.932 56.100 0.062 0.000 0.959 177 R CB -0.516 29.872 30.300 0.147 0.000 0.856 177 R HN 0.221 nan 8.270 nan 0.000 0.437 178 I N 0.524 121.138 120.570 0.072 0.000 2.361 178 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 178 I C 1.110 177.186 176.117 -0.068 0.000 1.133 178 I CA 1.560 62.881 61.300 0.036 0.000 1.413 178 I CB -1.296 36.753 38.000 0.081 0.000 1.073 178 I HN 0.142 nan 8.210 nan 0.000 0.424 179 T N -0.002 114.533 114.554 -0.031 0.000 3.194 179 T HA -0.035 4.315 4.350 -0.000 0.000 0.251 179 T C 1.515 176.176 174.700 -0.065 0.000 1.132 179 T CA 0.296 62.365 62.100 -0.052 0.000 1.028 179 T CB -0.102 68.757 68.868 -0.015 0.000 0.976 179 T HN 0.431 nan 8.240 nan 0.000 0.535 180 E N 0.329 120.491 120.200 -0.063 0.000 2.473 180 E HA 0.085 4.434 4.350 -0.000 0.000 0.204 180 E C 1.049 177.615 176.600 -0.056 0.000 0.994 180 E CA 0.352 56.728 56.400 -0.040 0.000 0.945 180 E CB 0.328 30.026 29.700 -0.004 0.000 0.990 180 E HN 0.206 nan 8.360 nan 0.000 0.493 181 K N -1.968 118.332 120.400 -0.167 0.000 2.598 181 K HA 0.246 4.566 4.320 -0.000 0.000 0.214 181 K C 0.738 176.821 176.600 -0.862 0.000 1.575 181 K CA 0.513 56.643 56.287 -0.262 0.000 1.042 181 K CB 1.273 33.771 32.500 -0.003 0.000 1.338 181 K HN 0.075 nan 8.250 nan 0.000 0.590 182 G N 0.233 108.479 108.800 -0.924 0.000 2.474 182 G HA2 0.548 4.508 3.960 -0.000 0.000 0.205 182 G HA3 0.548 4.508 3.960 -0.000 0.000 0.205 182 G C -0.956 173.723 174.900 -0.369 0.000 1.934 182 G CA 0.338 44.829 45.100 -1.015 0.000 0.713 182 G HN 0.048 nan 8.290 nan 0.000 0.773 183 I N -1.372 119.067 120.570 -0.219 0.000 2.763 183 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 183 I C 0.833 176.936 176.117 -0.024 0.000 1.610 183 I CA -0.012 61.236 61.300 -0.087 0.000 1.002 183 I CB 1.213 39.184 38.000 -0.049 0.000 1.416 183 I HN 0.418 nan 8.210 nan 0.000 0.479 184 G N 3.451 112.264 108.800 0.023 0.000 2.586 184 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 184 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 184 G C 0.785 175.736 174.900 0.085 0.000 1.128 184 G CA 0.800 45.958 45.100 0.096 0.000 0.774 184 G HN 0.640 nan 8.290 nan 0.000 0.543 185 N N 0.083 118.801 118.700 0.030 0.000 2.184 185 N HA 0.040 4.779 4.740 -0.000 0.000 0.206 185 N C 2.144 177.630 175.510 -0.041 0.000 1.151 185 N CA 0.633 53.681 53.050 -0.002 0.000 0.878 185 N CB 0.244 38.767 38.487 0.060 0.000 1.014 185 N HN 0.180 nan 8.380 nan 0.000 0.512 186 G N 0.995 109.777 108.800 -0.029 0.000 2.443 186 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 186 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 186 G C 1.467 176.317 174.900 -0.083 0.000 1.131 186 G CA 0.803 45.890 45.100 -0.021 0.000 0.775 186 G HN 0.366 nan 8.290 nan 0.000 0.547 187 I N -0.605 119.916 120.570 -0.083 0.000 2.353 187 I HA 0.057 4.227 4.170 -0.000 0.000 0.248 187 I C 2.597 178.527 176.117 -0.311 0.000 1.119 187 I CA 1.387 62.650 61.300 -0.062 0.000 1.417 187 I CB -0.777 37.281 38.000 0.096 0.000 1.078 187 I HN -0.055 nan 8.210 nan 0.000 0.421 188 S N 0.792 116.260 115.700 -0.386 0.000 2.371 188 S HA -0.032 4.437 4.470 -0.000 0.000 0.224 188 S C 2.010 175.886 174.600 -1.206 0.000 1.029 188 S CA 1.269 59.040 58.200 -0.715 0.000 0.978 188 S CB -0.526 62.415 63.200 -0.431 0.000 0.833 188 S HN 0.494 nan 8.310 nan 0.000 0.466 189 I N 1.775 122.017 120.570 -0.548 0.000 2.530 189 I HA -0.078 4.092 4.170 -0.000 0.000 0.257 189 I C 1.804 177.736 176.117 -0.308 0.000 1.179 189 I CA 0.910 62.076 61.300 -0.224 0.000 1.440 189 I CB -0.307 37.712 38.000 0.030 0.000 1.087 189 I HN 0.279 nan 8.210 nan 0.000 0.440 190 L N -0.484 120.465 121.223 -0.456 0.000 2.141 190 L HA -0.138 4.201 4.340 -0.000 0.000 0.209 190 L C 2.334 178.908 176.870 -0.494 0.000 1.094 190 L CA 1.328 55.867 54.840 -0.503 0.000 0.763 190 L CB -0.165 41.365 42.059 -0.882 0.000 0.908 190 L HN 0.210 nan 8.230 nan 0.000 0.437 191 I N -1.129 119.081 120.570 -0.600 0.000 2.233 191 I HA -0.284 3.885 4.170 -0.000 0.000 0.243 191 I C 2.130 178.172 176.117 -0.125 0.000 1.093 191 I CA 1.404 62.504 61.300 -0.333 0.000 1.380 191 I CB -0.453 37.358 38.000 -0.315 0.000 1.067 191 I HN 0.117 nan 8.210 nan 0.000 0.413 192 F N 1.139 121.074 119.950 -0.025 0.000 2.134 192 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 192 F C 2.762 178.553 175.800 -0.014 0.000 1.097 192 F CA 0.602 58.586 58.000 -0.026 0.000 1.264 192 F CB -0.716 38.254 39.000 -0.049 0.000 1.001 192 F HN 0.017 nan 8.300 nan 0.000 0.479 193 A N 1.090 123.976 122.820 0.110 0.000 1.873 193 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 193 A C 2.496 180.123 177.584 0.072 0.000 1.193 193 A CA 2.159 54.238 52.037 0.070 0.000 0.629 193 A CB -1.668 17.334 19.000 0.003 0.000 0.826 193 A HN 0.419 nan 8.150 nan 0.000 0.447 194 G N -0.132 108.693 108.800 0.041 0.000 2.433 194 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 194 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 194 G C 1.550 176.529 174.900 0.131 0.000 1.186 194 G CA 1.189 46.334 45.100 0.075 0.000 0.779 194 G HN 0.500 nan 8.290 nan 0.000 0.543 195 I N 0.628 121.296 120.570 0.163 0.000 2.127 195 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 195 I C 2.536 178.753 176.117 0.168 0.000 1.075 195 I CA 0.735 62.154 61.300 0.198 0.000 1.334 195 I CB -0.396 37.724 38.000 0.201 0.000 1.040 195 I HN -0.001 nan 8.210 nan 0.000 0.405 196 V N 0.949 120.940 119.914 0.129 0.000 3.383 196 V HA -0.084 4.036 4.120 -0.000 0.000 0.272 196 V C 1.964 178.151 176.094 0.154 0.000 1.181 196 V CA 1.388 63.759 62.300 0.118 0.000 1.171 196 V CB -0.990 30.891 31.823 0.097 0.000 0.800 196 V HN 0.504 nan 8.190 nan 0.000 0.515 197 A N -0.288 122.617 122.820 0.142 0.000 2.324 197 A HA 0.201 4.521 4.320 -0.000 0.000 0.220 197 A C 2.229 179.878 177.584 0.108 0.000 1.209 197 A CA -0.018 52.084 52.037 0.108 0.000 0.918 197 A CB 0.038 19.089 19.000 0.086 0.000 0.959 197 A HN 0.427 nan 8.150 nan 0.000 0.507 198 R N -1.675 118.926 120.500 0.167 0.000 2.100 198 R HA 0.035 4.375 4.340 -0.000 0.000 0.220 198 R C 1.420 177.807 176.300 0.144 0.000 1.091 198 R CA 1.284 57.482 56.100 0.163 0.000 0.986 198 R CB -0.307 30.127 30.300 0.223 0.000 0.888 198 R HN 0.524 nan 8.270 nan 0.000 0.444 199 Y N 0.933 121.258 120.300 0.040 0.000 2.395 199 Y HA -0.005 4.545 4.550 -0.000 0.000 0.293 199 Y C -0.686 175.165 175.900 -0.082 0.000 1.123 199 Y CA 0.315 58.423 58.100 0.014 0.000 1.227 199 Y CB -0.504 37.976 38.460 0.033 0.000 1.012 199 Y HN 0.101 nan 8.280 nan 0.000 0.552 200 P HA 0.014 nan 4.420 nan 0.000 0.245 200 P C 0.677 177.805 177.300 -0.287 0.000 1.206 200 P CA 1.068 64.034 63.100 -0.222 0.000 0.781 200 P CB 0.166 31.714 31.700 -0.254 0.000 0.994 201 S N -1.910 113.706 115.700 -0.139 0.000 2.614 201 S HA 0.104 4.574 4.470 -0.000 0.000 0.230 201 S C -0.234 174.383 174.600 0.028 0.000 0.952 201 S CA -0.760 57.397 58.200 -0.071 0.000 0.949 201 S CB -1.150 62.045 63.200 -0.008 0.000 0.786 201 S HN -0.026 nan 8.310 nan 0.000 0.478 202 Y N -0.009 120.246 120.300 -0.074 0.000 2.947 202 Y HA -0.194 4.356 4.550 -0.000 0.000 0.124 202 Y C 0.529 176.376 175.900 -0.087 0.000 1.908 202 Y CA 0.145 58.196 58.100 -0.083 0.000 0.975 202 Y CB -1.880 36.540 38.460 -0.067 0.000 1.591 202 Y HN 0.541 nan 8.280 nan 0.000 0.340 203 I N 0.266 120.831 120.570 -0.008 0.000 4.032 203 I HA 0.191 4.360 4.170 -0.000 0.000 0.313 203 I C 1.301 177.369 176.117 -0.081 0.000 1.272 203 I CA 0.370 61.629 61.300 -0.067 0.000 1.307 203 I CB 0.512 38.420 38.000 -0.153 0.000 1.155 203 I HN 0.377 nan 8.210 nan 0.000 0.431 204 R N 0.984 121.413 120.500 -0.119 0.000 2.429 204 R HA 0.157 4.496 4.340 -0.000 0.000 0.189 204 R C -1.135 175.204 176.300 0.064 0.000 1.106 204 R CA -0.027 56.090 56.100 0.029 0.000 1.138 204 R CB -0.614 29.701 30.300 0.025 0.000 1.323 204 R HN 0.139 nan 8.270 nan 0.000 0.756 205 Q N 0.155 119.955 119.800 -0.001 0.000 3.484 205 Q HA 0.694 5.034 4.340 -0.000 0.000 0.255 205 Q C -0.960 175.035 176.000 -0.008 0.000 0.909 205 Q CA 0.492 56.220 55.803 -0.124 0.000 0.774 205 Q CB 1.339 30.052 28.738 -0.042 0.000 1.431 205 Q HN 0.309 nan 8.270 nan 0.000 0.423 206 A N 1.235 123.960 122.820 -0.158 0.000 2.431 206 A HA 0.136 4.456 4.320 -0.000 0.000 0.221 206 A C -0.112 177.443 177.584 -0.048 0.000 1.291 206 A CA 0.226 52.258 52.037 -0.008 0.000 1.135 206 A CB -0.509 18.502 19.000 0.019 0.000 1.095 206 A HN 0.521 nan 8.150 nan 0.000 0.461 207 Y N -1.096 119.264 120.300 0.099 0.000 2.448 207 Y HA 0.712 5.262 4.550 -0.000 0.000 0.289 207 Y C 0.243 176.190 175.900 0.078 0.000 1.114 207 Y CA -0.451 57.694 58.100 0.076 0.000 1.235 207 Y CB -0.079 38.430 38.460 0.082 0.000 1.045 207 Y HN 0.091 nan 8.280 nan 0.000 0.554 208 L N 0.535 121.777 121.223 0.032 0.000 2.436 208 L HA 0.665 5.005 4.340 -0.000 0.000 0.268 208 L C 0.346 177.222 176.870 0.009 0.000 0.974 208 L CA -0.337 54.575 54.840 0.120 0.000 0.826 208 L CB 2.126 44.347 42.059 0.270 0.000 1.291 208 L HN 0.510 nan 8.230 nan 0.000 0.406 209 G N 2.109 110.933 108.800 0.040 0.000 2.481 209 G HA2 0.292 4.252 3.960 -0.000 0.000 0.230 209 G HA3 0.292 4.252 3.960 -0.000 0.000 0.230 209 G C 0.102 175.018 174.900 0.026 0.000 1.210 209 G CA -0.110 45.009 45.100 0.032 0.000 0.936 209 G HN 1.725 nan 8.290 nan 0.000 0.583 210 G N -1.873 106.944 108.800 0.028 0.000 2.722 210 G HA2 0.333 4.293 3.960 -0.000 0.000 0.686 210 G HA3 0.333 4.293 3.960 -0.000 0.000 0.686 210 G C 0.460 175.385 174.900 0.042 0.000 1.282 210 G CA 0.214 45.345 45.100 0.052 0.000 0.817 210 G HN 2.406 nan 8.290 nan 0.000 0.605 211 L N -0.299 120.950 121.223 0.043 0.000 3.634 211 L HA -0.202 4.137 4.340 -0.000 0.000 0.423 211 L C 0.644 177.523 176.870 0.016 0.000 1.253 211 L CA 1.013 55.868 54.840 0.026 0.000 0.885 211 L CB -1.145 40.929 42.059 0.025 0.000 1.789 211 L HN 0.782 nan 8.230 nan 0.000 0.904 212 N N -0.092 118.613 118.700 0.009 0.000 2.528 212 N HA 0.217 4.956 4.740 -0.000 0.000 0.266 212 N C 0.374 175.872 175.510 -0.020 0.000 1.528 212 N CA -0.267 52.786 53.050 0.005 0.000 0.959 212 N CB 0.389 38.893 38.487 0.029 0.000 1.430 212 N HN 0.274 nan 8.380 nan 0.000 0.511 213 L N 0.999 122.201 121.223 -0.034 0.000 3.062 213 L HA 0.114 4.454 4.340 -0.000 0.000 0.264 213 L C 1.731 178.537 176.870 -0.107 0.000 1.242 213 L CA 0.323 55.137 54.840 -0.044 0.000 1.072 213 L CB -0.598 41.430 42.059 -0.052 0.000 1.420 213 L HN 0.163 nan 8.230 nan 0.000 0.412 214 L N -0.629 120.459 121.223 -0.225 0.000 2.156 214 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 214 L C 2.348 178.724 176.870 -0.824 0.000 1.095 214 L CA 0.851 55.321 54.840 -0.616 0.000 0.770 214 L CB -0.278 41.368 42.059 -0.688 0.000 0.914 214 L HN 0.414 nan 8.230 nan 0.000 0.439 215 E N -0.439 119.577 120.200 -0.308 0.000 2.219 215 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 215 E C 1.865 178.485 176.600 0.033 0.000 0.998 215 E CA 1.435 57.820 56.400 -0.025 0.000 0.818 215 E CB -0.147 29.615 29.700 0.102 0.000 0.741 215 E HN 0.634 nan 8.360 nan 0.000 0.477 216 W N 0.941 122.140 121.300 -0.169 0.000 2.441 216 W HA -0.082 4.578 4.660 -0.000 0.000 0.302 216 W C 1.766 178.224 176.519 -0.101 0.000 1.191 216 W CA 0.844 58.123 57.345 -0.110 0.000 1.327 216 W CB -0.041 29.353 29.460 -0.110 0.000 1.128 216 W HN -0.012 nan 8.180 nan 0.000 0.522 217 I N -0.230 120.302 120.570 -0.064 0.000 2.315 217 I HA -0.323 3.847 4.170 -0.000 0.000 0.248 217 I C 2.373 178.474 176.117 -0.026 0.000 1.117 217 I CA 1.371 62.610 61.300 -0.102 0.000 1.404 217 I CB -0.885 37.045 38.000 -0.117 0.000 1.071 217 I HN -0.133 nan 8.210 nan 0.000 0.419 218 F N 0.591 120.529 119.950 -0.020 0.000 2.146 218 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 218 F C 2.451 178.205 175.800 -0.076 0.000 1.096 218 F CA 0.625 58.609 58.000 -0.027 0.000 1.275 218 F CB -0.305 38.700 39.000 0.008 0.000 1.008 218 F HN -0.024 nan 8.300 nan 0.000 0.480 219 L N 0.283 121.530 121.223 0.040 0.000 2.079 219 L HA -0.274 4.066 4.340 -0.000 0.000 0.210 219 L C 2.319 179.089 176.870 -0.167 0.000 1.081 219 L CA 1.298 56.072 54.840 -0.110 0.000 0.752 219 L CB -0.586 41.297 42.059 -0.294 0.000 0.896 219 L HN 0.207 nan 8.230 nan 0.000 0.433 220 I N -0.271 120.170 120.570 -0.216 0.000 2.208 220 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 220 I C 2.761 178.837 176.117 -0.068 0.000 1.097 220 I CA 1.209 62.401 61.300 -0.179 0.000 1.363 220 I CB -0.525 37.380 38.000 -0.158 0.000 1.051 220 I HN 0.224 nan 8.210 nan 0.000 0.413 221 A N 0.511 123.327 122.820 -0.006 0.000 1.978 221 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 221 A C 2.382 179.966 177.584 0.000 0.000 1.170 221 A CA 1.793 53.839 52.037 0.014 0.000 0.636 221 A CB -0.870 18.160 19.000 0.050 0.000 0.810 221 A HN 0.296 nan 8.150 nan 0.000 0.448 222 V N -0.323 119.588 119.914 -0.006 0.000 2.427 222 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 222 V C 2.972 179.061 176.094 -0.007 0.000 1.051 222 V CA 1.642 63.944 62.300 0.003 0.000 1.048 222 V CB -1.403 30.415 31.823 -0.008 0.000 0.666 222 V HN 0.601 nan 8.190 nan 0.000 0.456 223 A N 0.433 123.228 122.820 -0.042 0.000 1.883 223 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 223 A C 2.149 179.730 177.584 -0.004 0.000 1.186 223 A CA 2.038 54.050 52.037 -0.041 0.000 0.624 223 A CB -0.642 18.315 19.000 -0.072 0.000 0.822 223 A HN 0.432 nan 8.150 nan 0.000 0.444 224 L N -0.094 121.127 121.223 -0.003 0.000 2.013 224 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 224 L C 2.445 179.327 176.870 0.020 0.000 1.073 224 L CA 1.778 56.625 54.840 0.012 0.000 0.753 224 L CB -0.670 41.382 42.059 -0.011 0.000 0.890 224 L HN 0.431 nan 8.230 nan 0.000 0.432 225 I N -1.221 119.357 120.570 0.013 0.000 2.118 225 I HA -0.381 3.789 4.170 -0.000 0.000 0.241 225 I C 2.386 178.559 176.117 0.093 0.000 1.070 225 I CA 1.825 63.160 61.300 0.058 0.000 1.327 225 I CB -0.953 37.139 38.000 0.153 0.000 1.034 225 I HN 0.292 nan 8.210 nan 0.000 0.405 226 T N 1.694 116.295 114.554 0.078 0.000 2.624 226 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 226 T C 1.887 176.632 174.700 0.075 0.000 1.041 226 T CA 1.977 64.118 62.100 0.068 0.000 1.159 226 T CB -0.514 68.371 68.868 0.029 0.000 0.863 226 T HN 0.290 nan 8.240 nan 0.000 0.434 227 I N -0.028 120.590 120.570 0.080 0.000 2.194 227 I HA -0.211 3.958 4.170 -0.000 0.000 0.246 227 I C 2.177 178.356 176.117 0.103 0.000 1.093 227 I CA 1.447 62.797 61.300 0.084 0.000 1.355 227 I CB -0.614 37.441 38.000 0.091 0.000 1.046 227 I HN 0.108 nan 8.210 nan 0.000 0.413 228 F N 1.784 121.669 119.950 -0.108 0.000 2.065 228 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 228 F C 2.599 178.298 175.800 -0.168 0.000 1.112 228 F CA 1.786 59.669 58.000 -0.195 0.000 1.212 228 F CB -1.296 37.471 39.000 -0.389 0.000 0.975 228 F HN 0.053 nan 8.300 nan 0.000 0.476 229 G N 0.283 109.104 108.800 0.034 0.000 2.574 229 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 229 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 229 G C 1.686 176.581 174.900 -0.009 0.000 1.173 229 G CA 1.363 46.475 45.100 0.020 0.000 0.772 229 G HN 0.240 nan 8.290 nan 0.000 0.585 230 I N 1.718 122.283 120.570 -0.008 0.000 2.065 230 I HA -0.244 3.926 4.170 -0.000 0.000 0.236 230 I C 2.643 178.736 176.117 -0.040 0.000 1.028 230 I CA 0.959 62.250 61.300 -0.016 0.000 1.299 230 I CB -0.738 37.256 38.000 -0.010 0.000 1.015 230 I HN 0.218 nan 8.210 nan 0.000 0.396 231 I N 1.932 122.452 120.570 -0.085 0.000 3.102 231 I HA -0.187 3.983 4.170 -0.000 0.000 0.278 231 I C 0.961 177.034 176.117 -0.072 0.000 1.316 231 I CA -0.238 61.009 61.300 -0.089 0.000 1.425 231 I CB -0.835 37.083 38.000 -0.136 0.000 1.073 231 I HN 0.201 nan 8.210 nan 0.000 0.503 232 L N -0.511 120.679 121.223 -0.055 0.000 6.452 232 L HA -0.264 4.076 4.340 -0.000 0.000 0.079 232 L C 1.072 177.927 176.870 -0.026 0.000 1.427 232 L CA 1.057 55.888 54.840 -0.016 0.000 1.832 232 L CB -1.558 40.527 42.059 0.044 0.000 2.515 232 L HN 0.072 nan 8.230 nan 0.000 0.986 233 V N -0.703 119.219 119.914 0.013 0.000 3.226 233 V HA 0.106 4.226 4.120 -0.000 0.000 0.385 233 V C 1.103 177.210 176.094 0.022 0.000 1.268 233 V CA 0.280 62.586 62.300 0.010 0.000 1.443 233 V CB -1.445 30.397 31.823 0.032 0.000 1.290 233 V HN 0.792 nan 8.190 nan 0.000 0.490 234 Q N 0.887 120.690 119.800 0.006 0.000 2.385 234 Q HA 0.138 4.478 4.340 -0.000 0.000 0.273 234 Q C -0.023 175.990 176.000 0.022 0.000 1.281 234 Q CA 0.934 56.745 55.803 0.012 0.000 0.952 234 Q CB 0.105 28.841 28.738 -0.004 0.000 1.419 234 Q HN 0.667 nan 8.270 nan 0.000 0.472 235 Q N 1.921 121.748 119.800 0.044 0.000 2.462 235 Q HA 0.786 5.125 4.340 -0.000 0.000 0.285 235 Q C -1.885 174.157 176.000 0.070 0.000 1.035 235 Q CA -0.196 55.641 55.803 0.057 0.000 0.799 235 Q CB 2.179 30.969 28.738 0.087 0.000 1.452 235 Q HN 0.692 nan 8.270 nan 0.000 0.404 236 A N 1.587 124.442 122.820 0.059 0.000 3.136 236 A HA 0.691 5.011 4.320 -0.000 0.000 0.299 236 A C -0.381 177.246 177.584 0.072 0.000 1.197 236 A CA 0.019 52.099 52.037 0.073 0.000 0.640 236 A CB 0.728 19.756 19.000 0.046 0.000 1.440 236 A HN 0.792 nan 8.150 nan 0.000 0.614 237 E N 0.082 120.325 120.200 0.071 0.000 3.700 237 E HA 0.496 4.846 4.350 -0.000 0.000 0.357 237 E C 0.346 176.962 176.600 0.027 0.000 0.577 237 E CA 0.109 56.548 56.400 0.066 0.000 1.888 237 E CB 0.025 29.774 29.700 0.080 0.000 2.230 237 E HN 0.904 nan 8.360 nan 0.000 0.479 238 R N -0.758 119.754 120.500 0.021 0.000 3.217 238 R HA 0.406 4.745 4.340 -0.000 0.000 0.261 238 R C -0.794 175.510 176.300 0.007 0.000 1.028 238 R CA -0.760 55.346 56.100 0.010 0.000 0.895 238 R CB 0.662 30.964 30.300 0.003 0.000 1.487 238 R HN 0.234 nan 8.270 nan 0.000 0.419 239 R N -0.315 120.189 120.500 0.007 0.000 1.466 239 R HA -0.186 4.154 4.340 -0.000 0.000 0.485 239 R C -0.483 175.818 176.300 0.000 0.000 1.341 239 R CA 1.260 57.363 56.100 0.005 0.000 1.448 239 R CB -1.358 28.941 30.300 -0.001 0.000 3.640 239 R HN 0.668 nan 8.270 nan 0.000 0.528 240 I N -2.334 118.236 120.570 -0.001 0.000 2.828 240 I HA 0.836 5.006 4.170 -0.000 0.000 0.302 240 I C -0.447 175.657 176.117 -0.023 0.000 1.101 240 I CA -0.286 61.007 61.300 -0.010 0.000 1.031 240 I CB 2.942 40.940 38.000 -0.003 0.000 1.231 240 I HN 0.552 nan 8.210 nan 0.000 0.427 241 T N 5.474 120.003 114.554 -0.040 0.000 3.033 241 T HA 0.594 4.944 4.350 -0.000 0.000 0.362 241 T C -1.442 173.195 174.700 -0.106 0.000 1.723 241 T CA -0.499 61.562 62.100 -0.065 0.000 1.110 241 T CB 1.211 70.044 68.868 -0.059 0.000 1.515 241 T HN 0.832 nan 8.240 nan 0.000 0.484 242 I N 0.869 121.337 120.570 -0.170 0.000 2.563 242 I HA 0.571 4.741 4.170 -0.000 0.000 0.285 242 I C -0.840 174.963 176.117 -0.523 0.000 1.123 242 I CA -0.852 60.270 61.300 -0.297 0.000 1.059 242 I CB 1.956 39.782 38.000 -0.291 0.000 1.229 242 I HN 0.388 nan 8.210 nan 0.000 0.442 243 Q N 6.334 125.874 119.800 -0.433 0.000 2.348 243 Q HA 0.459 4.799 4.340 -0.000 0.000 0.265 243 Q C -1.918 173.888 176.000 -0.323 0.000 0.998 243 Q CA -0.394 55.172 55.803 -0.394 0.000 0.831 243 Q CB 1.795 30.434 28.738 -0.166 0.000 1.251 243 Q HN 0.737 nan 8.270 nan 0.000 0.456 244 Y N 1.820 122.114 120.300 -0.010 0.000 2.857 244 Y HA 0.823 5.373 4.550 -0.000 0.000 0.318 244 Y C 0.552 176.447 175.900 -0.009 0.000 1.313 244 Y CA -0.936 57.157 58.100 -0.010 0.000 1.117 244 Y CB -0.366 38.088 38.460 -0.010 0.000 1.344 244 Y HN 0.768 nan 8.280 nan 0.000 0.525 245 A N 0.544 123.502 122.820 0.231 0.000 5.813 245 A HA -0.267 4.053 4.320 -0.000 0.000 0.291 245 A C 0.042 177.673 177.584 0.078 0.000 1.970 245 A CA 1.313 53.411 52.037 0.101 0.000 0.717 245 A CB -1.368 17.669 19.000 0.062 0.000 1.222 245 A HN 0.990 nan 8.150 nan 0.000 0.377 246 R N 0.014 120.546 120.500 0.053 0.000 2.337 246 R HA 0.548 4.888 4.340 -0.000 0.000 0.319 246 R C 0.711 177.032 176.300 0.036 0.000 0.954 246 R CA 0.115 56.237 56.100 0.036 0.000 0.840 246 R CB 0.474 30.787 30.300 0.021 0.000 1.164 246 R HN 1.049 nan 8.270 nan 0.000 0.472 247 R N 2.286 122.805 120.500 0.033 0.000 3.336 247 R HA -0.131 4.209 4.340 -0.000 0.000 0.260 247 R C -1.820 174.502 176.300 0.036 0.000 1.032 247 R CA 0.740 56.856 56.100 0.026 0.000 0.693 247 R CB -1.122 29.188 30.300 0.017 0.000 1.134 247 R HN 0.284 nan 8.270 nan 0.000 0.433 248 V N -0.176 119.774 119.914 0.059 0.000 2.752 248 V HA 0.627 4.746 4.120 -0.000 0.000 0.302 248 V C 0.063 176.219 176.094 0.102 0.000 1.133 248 V CA -0.245 62.104 62.300 0.081 0.000 0.919 248 V CB 2.425 34.308 31.823 0.100 0.000 1.026 248 V HN 0.393 nan 8.190 nan 0.000 0.429 249 T N 1.344 115.935 114.554 0.062 0.000 2.661 249 T HA 0.868 5.218 4.350 -0.000 0.000 0.305 249 T C -0.109 174.598 174.700 0.012 0.000 1.535 249 T CA -0.107 61.999 62.100 0.011 0.000 1.000 249 T CB 1.686 70.523 68.868 -0.051 0.000 1.811 249 T HN 1.180 nan 8.240 nan 0.000 0.471 250 G N -0.502 108.286 108.800 -0.019 0.000 2.706 250 G HA2 0.752 4.711 3.960 -0.000 0.000 0.307 250 G HA3 0.752 4.711 3.960 -0.000 0.000 0.307 250 G C -2.022 172.869 174.900 -0.014 0.000 1.307 250 G CA -0.574 44.523 45.100 -0.005 0.000 0.790 250 G HN 0.582 nan 8.290 nan 0.000 0.503 251 R N -0.914 119.584 120.500 -0.004 0.000 2.728 251 R HA 0.520 4.860 4.340 -0.000 0.000 0.274 251 R C -1.001 175.302 176.300 0.005 0.000 1.032 251 R CA -0.643 55.456 56.100 -0.001 0.000 0.866 251 R CB 2.034 32.334 30.300 0.000 0.000 1.263 251 R HN 0.750 nan 8.270 nan 0.000 0.475 252 R N -0.400 120.108 120.500 0.013 0.000 2.885 252 R HA 0.625 4.965 4.340 -0.000 0.000 0.260 252 R C 0.206 176.529 176.300 0.038 0.000 1.107 252 R CA -0.800 55.310 56.100 0.017 0.000 0.978 252 R CB 1.640 31.949 30.300 0.017 0.000 1.227 252 R HN 0.273 nan 8.270 nan 0.000 0.473 253 V N -0.596 119.334 119.914 0.026 0.000 4.168 253 V HA 0.432 4.552 4.120 -0.000 0.000 0.181 253 V C -0.889 175.321 176.094 0.193 0.000 1.177 253 V CA -0.022 62.309 62.300 0.052 0.000 1.470 253 V CB -0.072 31.662 31.823 -0.148 0.000 1.783 253 V HN 0.882 nan 8.190 nan 0.000 0.431 254 Y N -1.736 118.562 120.300 -0.003 0.000 2.380 254 Y HA 0.668 5.218 4.550 -0.000 0.000 0.320 254 Y C -0.554 175.343 175.900 -0.004 0.000 1.272 254 Y CA -0.278 57.820 58.100 -0.004 0.000 1.165 254 Y CB 0.832 39.288 38.460 -0.006 0.000 1.319 254 Y HN 0.663 nan 8.280 nan 0.000 0.443 255 G N 1.110 109.963 108.800 0.089 0.000 4.445 255 G HA2 0.443 4.402 3.960 -0.000 0.000 0.228 255 G HA3 0.443 4.402 3.960 -0.000 0.000 0.228 255 G C -0.018 174.903 174.900 0.034 0.000 2.381 255 G CA 0.054 45.176 45.100 0.037 0.000 0.984 255 G HN 1.263 nan 8.290 nan 0.000 0.427 256 G N -0.460 108.371 108.800 0.052 0.000 2.535 256 G HA2 0.756 4.716 3.960 -0.000 0.000 0.282 256 G HA3 0.756 4.716 3.960 -0.000 0.000 0.282 256 G C 0.261 175.171 174.900 0.018 0.000 1.350 256 G CA -0.038 45.081 45.100 0.032 0.000 1.039 256 G HN 1.561 nan 8.290 nan 0.000 0.509 257 A N -0.276 122.547 122.820 0.004 0.000 2.730 257 A HA 0.606 4.926 4.320 -0.000 0.000 0.280 257 A C -0.141 177.422 177.584 -0.035 0.000 1.307 257 A CA 0.336 52.365 52.037 -0.013 0.000 0.933 257 A CB -0.118 18.877 19.000 -0.007 0.000 1.431 257 A HN 1.840 nan 8.150 nan 0.000 0.601 258 S N -0.860 114.800 115.700 -0.067 0.000 2.688 258 S HA 0.845 5.315 4.470 -0.000 0.000 0.275 258 S C 0.252 174.708 174.600 -0.240 0.000 1.175 258 S CA -0.038 58.072 58.200 -0.150 0.000 0.818 258 S CB 1.089 64.217 63.200 -0.121 0.000 1.157 258 S HN 0.513 nan 8.310 nan 0.000 0.482 259 T N 0.040 114.296 114.554 -0.496 0.000 3.717 259 T HA 0.538 4.888 4.350 -0.000 0.000 0.326 259 T C -0.848 173.507 174.700 -0.575 0.000 1.248 259 T CA 0.000 61.769 62.100 -0.551 0.000 0.896 259 T CB -0.872 67.599 68.868 -0.662 0.000 2.155 259 T HN 0.815 nan 8.240 nan 0.000 0.537 260 Y N -0.438 119.858 120.300 -0.006 0.000 2.514 260 Y HA -0.142 4.408 4.550 -0.000 0.000 0.024 260 Y C -0.162 175.733 175.900 -0.009 0.000 1.708 260 Y CA -0.799 57.297 58.100 -0.008 0.000 1.414 260 Y CB -1.071 37.386 38.460 -0.006 0.000 2.059 260 Y HN 0.375 nan 8.280 nan 0.000 0.255 261 L N 1.483 122.797 121.223 0.151 0.000 2.485 261 L HA 0.687 5.026 4.340 -0.000 0.000 0.245 261 L C -2.383 174.519 176.870 0.055 0.000 1.137 261 L CA -2.124 52.759 54.840 0.072 0.000 0.954 261 L CB 1.723 43.801 42.059 0.033 0.000 1.560 261 L HN 0.460 nan 8.230 nan 0.000 0.403 262 P HA 0.546 nan 4.420 nan 0.000 0.297 262 P C -1.413 175.902 177.300 0.024 0.000 1.319 262 P CA -0.079 63.035 63.100 0.025 0.000 0.810 262 P CB 1.176 32.889 31.700 0.021 0.000 0.947 263 I N 2.653 123.236 120.570 0.022 0.000 2.466 263 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 263 I C 0.868 176.996 176.117 0.019 0.000 1.026 263 I CA -0.422 60.891 61.300 0.021 0.000 1.078 263 I CB 2.558 40.566 38.000 0.013 0.000 1.249 263 I HN 0.329 nan 8.210 nan 0.000 0.429 264 K N 2.710 123.126 120.400 0.028 0.000 2.614 264 K HA 0.187 4.507 4.320 -0.000 0.000 0.183 264 K C 0.057 176.669 176.600 0.020 0.000 1.792 264 K CA 0.008 56.307 56.287 0.020 0.000 1.211 264 K CB 1.136 33.650 32.500 0.022 0.000 1.735 264 K HN 0.358 nan 8.250 nan 0.000 0.587 265 V N 3.592 123.530 119.914 0.040 0.000 3.566 265 V HA 0.002 4.122 4.120 -0.000 0.000 0.301 265 V C 0.441 176.552 176.094 0.028 0.000 1.105 265 V CA 0.052 62.375 62.300 0.039 0.000 1.142 265 V CB 0.315 32.181 31.823 0.072 0.000 1.107 265 V HN 0.514 nan 8.190 nan 0.000 0.481 266 N N 0.548 119.274 118.700 0.044 0.000 3.439 266 N HA 0.427 5.167 4.740 -0.000 0.000 0.313 266 N C -1.258 174.380 175.510 0.213 0.000 1.598 266 N CA -0.888 52.201 53.050 0.065 0.000 0.830 266 N CB 2.702 41.191 38.487 0.003 0.000 1.849 266 N HN 0.711 nan 8.380 nan 0.000 0.598 267 Q N -1.456 118.478 119.800 0.223 0.000 2.575 267 Q HA 0.482 4.822 4.340 -0.000 0.000 0.290 267 Q C -0.610 175.551 176.000 0.268 0.000 0.963 267 Q CA -0.846 55.166 55.803 0.349 0.000 0.783 267 Q CB 1.936 30.761 28.738 0.146 0.000 1.467 267 Q HN 0.833 nan 8.270 nan 0.000 0.402 268 G N 0.343 109.326 108.800 0.305 0.000 2.163 268 G HA2 0.152 4.112 3.960 -0.000 0.000 0.239 268 G HA3 0.152 4.112 3.960 -0.000 0.000 0.239 268 G C 0.504 175.433 174.900 0.049 0.000 1.148 268 G CA 0.507 45.700 45.100 0.154 0.000 0.880 268 G HN 0.640 nan 8.290 nan 0.000 0.466 269 G N 0.551 109.356 108.800 0.009 0.000 2.711 269 G HA2 0.376 4.336 3.960 -0.000 0.000 0.186 269 G HA3 0.376 4.336 3.960 -0.000 0.000 0.186 269 G C 0.333 175.214 174.900 -0.033 0.000 1.635 269 G CA 0.354 45.448 45.100 -0.010 0.000 1.065 269 G HN 0.850 nan 8.290 nan 0.000 0.545 270 V N 0.090 119.983 119.914 -0.034 0.000 2.973 270 V HA 0.352 4.472 4.120 -0.000 0.000 0.314 270 V C 0.985 177.043 176.094 -0.060 0.000 1.066 270 V CA -0.123 62.155 62.300 -0.036 0.000 1.021 270 V CB 1.171 32.989 31.823 -0.009 0.000 1.076 270 V HN 0.716 nan 8.190 nan 0.000 0.462 271 I N -0.167 120.372 120.570 -0.052 0.000 6.250 271 I HA -0.200 3.970 4.170 -0.000 0.000 0.126 271 I C -1.179 174.906 176.117 -0.055 0.000 1.820 271 I CA 0.039 61.311 61.300 -0.045 0.000 2.062 271 I CB -1.489 36.505 38.000 -0.010 0.000 3.453 271 I HN 0.598 nan 8.210 nan 0.000 0.177 272 P HA -0.130 nan 4.420 nan 0.000 0.197 272 P C 1.686 178.993 177.300 0.012 0.000 1.076 272 P CA 1.476 64.492 63.100 -0.140 0.000 0.876 272 P CB 0.140 31.693 31.700 -0.245 0.000 0.705 273 I N -0.642 119.911 120.570 -0.029 0.000 2.229 273 I HA -0.278 3.892 4.170 -0.000 0.000 0.250 273 I C 2.654 178.666 176.117 -0.174 0.000 1.096 273 I CA 1.538 62.797 61.300 -0.069 0.000 1.358 273 I CB -0.841 37.159 38.000 0.000 0.000 1.047 273 I HN -0.084 nan 8.210 nan 0.000 0.422 274 I N 0.447 120.968 120.570 -0.082 0.000 2.226 274 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 274 I C 2.602 178.681 176.117 -0.064 0.000 1.100 274 I CA 1.732 62.975 61.300 -0.094 0.000 1.374 274 I CB -0.542 37.412 38.000 -0.077 0.000 1.057 274 I HN 0.276 nan 8.210 nan 0.000 0.413 275 F N 1.949 121.802 119.950 -0.162 0.000 2.146 275 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 275 F C 2.456 178.159 175.800 -0.161 0.000 1.096 275 F CA 1.220 59.143 58.000 -0.129 0.000 1.275 275 F CB -0.424 38.518 39.000 -0.097 0.000 1.008 275 F HN -0.064 nan 8.300 nan 0.000 0.480 276 A N 1.043 123.434 122.820 -0.714 0.000 1.873 276 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 276 A C 2.422 179.593 177.584 -0.688 0.000 1.186 276 A CA 1.991 53.497 52.037 -0.885 0.000 0.616 276 A CB -1.460 17.420 19.000 -0.199 0.000 0.823 276 A HN 0.599 nan 8.150 nan 0.000 0.442 277 S N 0.544 115.697 115.700 -0.912 0.000 2.370 277 S HA -0.078 4.392 4.470 -0.000 0.000 0.226 277 S C 2.113 176.553 174.600 -0.267 0.000 1.033 277 S CA 1.562 59.330 58.200 -0.720 0.000 1.011 277 S CB -0.836 62.042 63.200 -0.537 0.000 0.852 277 S HN 0.966 nan 8.310 nan 0.000 0.457 278 A N 2.064 124.734 122.820 -0.250 0.000 1.940 278 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 278 A C 2.223 179.712 177.584 -0.159 0.000 1.176 278 A CA 1.531 53.479 52.037 -0.148 0.000 0.631 278 A CB -0.914 18.015 19.000 -0.118 0.000 0.814 278 A HN 0.613 nan 8.150 nan 0.000 0.446 279 I N -0.435 119.981 120.570 -0.258 0.000 2.127 279 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 279 I C 2.301 178.322 176.117 -0.159 0.000 1.075 279 I CA 1.392 62.554 61.300 -0.230 0.000 1.334 279 I CB -0.507 37.291 38.000 -0.337 0.000 1.040 279 I HN 0.149 nan 8.210 nan 0.000 0.405 280 V N 0.957 120.798 119.914 -0.121 0.000 2.469 280 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 280 V C 2.619 178.624 176.094 -0.148 0.000 1.064 280 V CA 2.174 64.377 62.300 -0.162 0.000 1.066 280 V CB -0.821 30.976 31.823 -0.044 0.000 0.667 280 V HN 0.650 nan 8.190 nan 0.000 0.461 281 S N -0.488 115.169 115.700 -0.072 0.000 2.474 281 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 281 S C 1.793 176.393 174.600 -0.000 0.000 0.997 281 S CA 1.146 59.339 58.200 -0.011 0.000 0.949 281 S CB -0.510 62.702 63.200 0.021 0.000 0.766 281 S HN 0.579 nan 8.310 nan 0.000 0.517 282 I N 2.542 123.084 120.570 -0.047 0.000 2.141 282 I HA -0.017 4.153 4.170 -0.000 0.000 0.236 282 I C -0.404 175.690 176.117 -0.039 0.000 1.071 282 I CA 0.749 62.026 61.300 -0.037 0.000 1.345 282 I CB -1.355 36.608 38.000 -0.061 0.000 1.066 282 I HN 0.251 nan 8.210 nan 0.000 0.406 283 P HA -0.138 nan 4.420 nan 0.000 0.225 283 P C 1.653 178.924 177.300 -0.048 0.000 1.148 283 P CA 1.419 64.471 63.100 -0.079 0.000 0.779 283 P CB 0.032 31.648 31.700 -0.140 0.000 0.780 284 S N -0.219 115.463 115.700 -0.031 0.000 2.362 284 S HA -0.003 4.467 4.470 -0.000 0.000 0.221 284 S C 2.106 176.782 174.600 0.125 0.000 1.032 284 S CA 1.031 59.267 58.200 0.060 0.000 0.973 284 S CB -0.928 62.352 63.200 0.134 0.000 0.849 284 S HN 0.126 nan 8.310 nan 0.000 0.465 285 A N 1.684 124.575 122.820 0.119 0.000 1.877 285 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 285 A C 2.116 179.752 177.584 0.087 0.000 1.186 285 A CA 1.596 53.709 52.037 0.126 0.000 0.620 285 A CB -0.865 18.197 19.000 0.103 0.000 0.822 285 A HN 0.631 nan 8.150 nan 0.000 0.443 286 I N -0.304 120.296 120.570 0.050 0.000 2.394 286 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 286 I C 2.686 178.825 176.117 0.037 0.000 1.136 286 I CA 0.940 62.260 61.300 0.034 0.000 1.425 286 I CB -0.247 37.760 38.000 0.011 0.000 1.079 286 I HN 0.354 nan 8.210 nan 0.000 0.425 287 A N -0.417 122.426 122.820 0.038 0.000 2.209 287 A HA -0.052 4.268 4.320 -0.000 0.000 0.212 287 A C 2.318 179.933 177.584 0.052 0.000 1.158 287 A CA 1.239 53.294 52.037 0.030 0.000 0.742 287 A CB -0.285 18.721 19.000 0.009 0.000 0.790 287 A HN 0.349 nan 8.150 nan 0.000 0.472 288 S N -0.834 114.921 115.700 0.091 0.000 2.483 288 S HA 0.286 4.756 4.470 -0.000 0.000 0.221 288 S C 0.614 175.268 174.600 0.090 0.000 1.030 288 S CA 0.348 58.622 58.200 0.124 0.000 0.925 288 S CB 0.048 63.363 63.200 0.191 0.000 0.795 288 S HN 0.497 nan 8.310 nan 0.000 0.511 289 I N 2.041 122.653 120.570 0.070 0.000 2.948 289 I HA 0.213 4.382 4.170 -0.000 0.000 0.308 289 I C 0.086 176.227 176.117 0.040 0.000 1.478 289 I CA -0.197 61.136 61.300 0.054 0.000 0.843 289 I CB 0.869 38.901 38.000 0.054 0.000 2.100 289 I HN 0.005 nan 8.210 nan 0.000 0.625 290 T N -0.049 114.525 114.554 0.034 0.000 4.510 290 T HA 0.188 4.538 4.350 -0.000 0.000 0.300 290 T C 0.744 175.458 174.700 0.023 0.000 1.079 290 T CA -0.412 61.702 62.100 0.025 0.000 1.123 290 T CB 0.176 69.056 68.868 0.019 0.000 2.102 290 T HN 0.293 nan 8.240 nan 0.000 0.438 291 N N 2.841 121.552 118.700 0.019 0.000 2.416 291 N HA 0.098 4.838 4.740 -0.000 0.000 0.265 291 N C -0.151 175.370 175.510 0.019 0.000 1.195 291 N CA 0.125 53.185 53.050 0.017 0.000 0.943 291 N CB -0.051 38.444 38.487 0.014 0.000 1.115 291 N HN 0.406 nan 8.380 nan 0.000 0.481 292 N N 1.917 120.629 118.700 0.020 0.000 2.714 292 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 292 N C -1.138 174.388 175.510 0.025 0.000 1.117 292 N CA 0.971 54.034 53.050 0.021 0.000 0.719 292 N CB -0.953 37.544 38.487 0.017 0.000 1.081 292 N HN 0.732 nan 8.380 nan 0.000 0.557 293 E N -1.907 118.311 120.200 0.030 0.000 3.117 293 E HA -0.178 4.171 4.350 -0.000 0.000 0.156 293 E C -0.733 175.888 176.600 0.035 0.000 1.699 293 E CA 0.794 57.217 56.400 0.039 0.000 0.728 293 E CB -1.558 28.168 29.700 0.044 0.000 1.091 293 E HN 0.232 nan 8.360 nan 0.000 0.369 294 T N 3.292 117.864 114.554 0.030 0.000 4.475 294 T HA 0.174 4.524 4.350 -0.000 0.000 0.254 294 T C 0.754 175.469 174.700 0.025 0.000 1.160 294 T CA -0.199 61.914 62.100 0.023 0.000 1.091 294 T CB -0.323 68.554 68.868 0.015 0.000 1.377 294 T HN 0.235 nan 8.240 nan 0.000 1.057 295 L N 3.267 124.511 121.223 0.036 0.000 2.654 295 L HA 0.173 4.512 4.340 -0.000 0.000 0.271 295 L C 0.800 177.680 176.870 0.016 0.000 1.169 295 L CA 0.627 55.493 54.840 0.045 0.000 0.947 295 L CB -0.258 41.840 42.059 0.065 0.000 1.232 295 L HN 0.340 nan 8.230 nan 0.000 0.486 296 K N 2.354 122.742 120.400 -0.020 0.000 2.499 296 K HA 0.413 4.733 4.320 -0.000 0.000 0.277 296 K C -0.948 175.554 176.600 -0.164 0.000 1.025 296 K CA -1.187 55.067 56.287 -0.056 0.000 0.900 296 K CB 1.611 34.086 32.500 -0.042 0.000 1.494 296 K HN 0.351 nan 8.250 nan 0.000 0.442 297 N N 1.127 119.723 118.700 -0.173 0.000 2.530 297 N HA 0.311 5.051 4.740 -0.000 0.000 0.273 297 N C -0.837 174.476 175.510 -0.328 0.000 1.173 297 N CA 0.088 52.951 53.050 -0.312 0.000 0.967 297 N CB 0.804 39.201 38.487 -0.151 0.000 1.109 297 N HN 0.322 nan 8.380 nan 0.000 0.453 298 L N 2.696 123.579 121.223 -0.566 0.000 2.664 298 L HA 0.159 4.498 4.340 -0.000 0.000 0.239 298 L C -1.080 175.680 176.870 -0.183 0.000 1.198 298 L CA 0.150 54.847 54.840 -0.238 0.000 0.976 298 L CB -0.350 41.650 42.059 -0.098 0.000 1.149 298 L HN 0.559 nan 8.230 nan 0.000 0.614 299 F N -0.968 119.122 119.950 0.233 0.000 2.102 299 F HA 0.348 4.874 4.527 -0.000 0.000 0.245 299 F C 1.898 177.832 175.800 0.223 0.000 1.049 299 F CA -0.197 57.996 58.000 0.321 0.000 1.227 299 F CB 0.204 39.397 39.000 0.322 0.000 1.527 299 F HN -0.035 nan 8.300 nan 0.000 0.624 300 R N 0.363 121.091 120.500 0.380 0.000 2.191 300 R HA 0.296 4.636 4.340 -0.000 0.000 0.196 300 R C 2.089 178.489 176.300 0.167 0.000 0.991 300 R CA 0.730 56.965 56.100 0.225 0.000 1.075 300 R CB -0.290 30.091 30.300 0.134 0.000 1.040 300 R HN 0.235 nan 8.270 nan 0.000 0.526 301 A N 1.246 124.154 122.820 0.147 0.000 1.852 301 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 301 A C 2.168 179.786 177.584 0.057 0.000 1.215 301 A CA 2.097 54.202 52.037 0.112 0.000 0.641 301 A CB -1.543 17.491 19.000 0.058 0.000 0.838 301 A HN 0.447 nan 8.150 nan 0.000 0.450 302 G N -1.130 107.628 108.800 -0.070 0.000 2.807 302 G HA2 0.209 4.169 3.960 -0.000 0.000 0.207 302 G HA3 0.209 4.169 3.960 -0.000 0.000 0.207 302 G C 1.215 175.772 174.900 -0.572 0.000 1.151 302 G CA 1.120 45.987 45.100 -0.388 0.000 0.800 302 G HN 0.811 nan 8.290 nan 0.000 0.523 303 G N 1.326 110.002 108.800 -0.207 0.000 2.628 303 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 303 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 303 G C 1.439 176.088 174.900 -0.419 0.000 1.240 303 G CA 1.058 45.986 45.100 -0.288 0.000 0.792 303 G HN 0.359 nan 8.290 nan 0.000 0.593 304 F N 0.970 120.756 119.950 -0.274 0.000 2.111 304 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 304 F C 2.682 178.303 175.800 -0.298 0.000 1.088 304 F CA 1.233 59.075 58.000 -0.263 0.000 1.243 304 F CB -0.631 38.264 39.000 -0.175 0.000 0.996 304 F HN 0.053 nan 8.300 nan 0.000 0.483 305 L N -1.703 119.413 121.223 -0.179 0.000 2.027 305 L HA -0.215 4.125 4.340 -0.000 0.000 0.206 305 L C 2.301 179.026 176.870 -0.242 0.000 1.074 305 L CA 1.448 56.140 54.840 -0.247 0.000 0.745 305 L CB -1.040 40.804 42.059 -0.357 0.000 0.898 305 L HN 0.166 nan 8.230 nan 0.000 0.433 306 Y N -0.250 119.910 120.300 -0.233 0.000 2.373 306 Y HA -0.134 4.416 4.550 -0.000 0.000 0.293 306 Y C 2.451 177.842 175.900 -0.849 0.000 1.129 306 Y CA 0.047 57.926 58.100 -0.367 0.000 1.226 306 Y CB -0.162 38.142 38.460 -0.259 0.000 1.000 306 Y HN 0.111 nan 8.280 nan 0.000 0.549 307 L N -0.287 120.523 121.223 -0.688 0.000 2.056 307 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 307 L C 2.131 178.703 176.870 -0.497 0.000 1.078 307 L CA 1.139 55.441 54.840 -0.896 0.000 0.749 307 L CB -0.630 41.105 42.059 -0.540 0.000 0.901 307 L HN 0.287 nan 8.230 nan 0.000 0.433 308 L N -0.377 120.693 121.223 -0.256 0.000 2.191 308 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 308 L C 2.460 179.315 176.870 -0.024 0.000 1.103 308 L CA 1.047 55.835 54.840 -0.087 0.000 0.769 308 L CB -0.440 41.583 42.059 -0.059 0.000 0.908 308 L HN 0.243 nan 8.230 nan 0.000 0.438 309 I N -1.036 119.477 120.570 -0.095 0.000 2.286 309 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 309 I C 2.356 178.596 176.117 0.205 0.000 1.115 309 I CA 1.636 62.955 61.300 0.031 0.000 1.392 309 I CB -0.449 37.563 38.000 0.020 0.000 1.065 309 I HN 0.229 nan 8.210 nan 0.000 0.418 310 Y N 0.760 121.138 120.300 0.131 0.000 2.207 310 Y HA -0.214 4.335 4.550 -0.000 0.000 0.287 310 Y C 2.678 178.813 175.900 0.391 0.000 1.156 310 Y CA 0.300 58.521 58.100 0.202 0.000 1.182 310 Y CB -0.781 37.783 38.460 0.174 0.000 0.979 310 Y HN 0.220 nan 8.280 nan 0.000 0.521 311 G N 0.796 109.903 108.800 0.512 0.000 2.575 311 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 311 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 311 G C 1.543 176.826 174.900 0.639 0.000 1.262 311 G CA 1.081 46.523 45.100 0.570 0.000 0.807 311 G HN 0.244 nan 8.290 nan 0.000 0.567 312 L N 0.203 121.634 121.223 0.347 0.000 1.990 312 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 312 L C 2.988 180.208 176.870 0.583 0.000 1.072 312 L CA 0.818 55.836 54.840 0.296 0.000 0.755 312 L CB -0.729 41.408 42.059 0.129 0.000 0.889 312 L HN 0.221 nan 8.230 nan 0.000 0.432 313 L N -0.874 120.572 121.223 0.371 0.000 1.915 313 L HA -0.259 4.080 4.340 -0.000 0.000 0.225 313 L C 2.462 179.533 176.870 0.336 0.000 1.084 313 L CA 1.527 56.425 54.840 0.097 0.000 0.788 313 L CB -0.979 41.150 42.059 0.118 0.000 0.892 313 L HN 0.034 nan 8.230 nan 0.000 0.434 314 V N -0.243 119.920 119.914 0.414 0.000 2.235 314 V HA -0.352 3.768 4.120 -0.000 0.000 0.244 314 V C 2.151 178.306 176.094 0.102 0.000 1.036 314 V CA 2.341 64.684 62.300 0.073 0.000 1.001 314 V CB -0.875 30.879 31.823 -0.115 0.000 0.643 314 V HN 0.225 nan 8.190 nan 0.000 0.463 315 F N -0.442 119.685 119.950 0.295 0.000 2.041 315 F HA -0.285 4.242 4.527 -0.000 0.000 0.296 315 F C 2.167 178.172 175.800 0.341 0.000 1.147 315 F CA 2.501 60.663 58.000 0.269 0.000 1.214 315 F CB -1.323 37.841 39.000 0.273 0.000 0.947 315 F HN 0.025 nan 8.300 nan 0.000 0.511 316 F N -0.631 119.608 119.950 0.481 0.000 2.025 316 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 316 F C 2.302 178.394 175.800 0.486 0.000 1.132 316 F CA 1.516 59.767 58.000 0.417 0.000 1.191 316 F CB -1.352 37.861 39.000 0.355 0.000 0.963 316 F HN -0.164 nan 8.300 nan 0.000 0.481 317 F N 0.118 120.348 119.950 0.468 0.000 2.025 317 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 317 F C 2.605 178.574 175.800 0.281 0.000 1.132 317 F CA 1.968 60.161 58.000 0.321 0.000 1.191 317 F CB -1.724 37.399 39.000 0.204 0.000 0.963 317 F HN -0.118 nan 8.300 nan 0.000 0.481 318 T N -0.868 113.906 114.554 0.367 0.000 2.569 318 T HA -0.309 4.040 4.350 -0.000 0.000 0.263 318 T C 1.715 176.565 174.700 0.251 0.000 1.074 318 T CA 1.762 63.983 62.100 0.201 0.000 1.176 318 T CB -1.010 67.870 68.868 0.019 0.000 0.863 318 T HN 0.308 nan 8.240 nan 0.000 0.410 319 Y N 0.572 120.940 120.300 0.113 0.000 2.264 319 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 319 Y C 1.876 177.799 175.900 0.038 0.000 1.204 319 Y CA 1.138 59.259 58.100 0.035 0.000 1.228 319 Y CB -0.474 37.960 38.460 -0.043 0.000 0.971 319 Y HN 0.184 nan 8.280 nan 0.000 0.538 320 F N -1.341 118.683 119.950 0.124 0.000 2.009 320 F HA -0.201 4.326 4.527 -0.000 0.000 0.293 320 F C 2.123 177.938 175.800 0.024 0.000 1.156 320 F CA 1.968 60.008 58.000 0.066 0.000 1.168 320 F CB -1.306 37.779 39.000 0.141 0.000 0.981 320 F HN -0.032 nan 8.300 nan 0.000 0.475 321 Y N 0.155 120.612 120.300 0.262 0.000 2.081 321 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 321 Y C 3.002 178.929 175.900 0.044 0.000 1.163 321 Y CA 1.953 60.139 58.100 0.145 0.000 1.135 321 Y CB -1.310 37.222 38.460 0.119 0.000 0.970 321 Y HN 0.171 nan 8.280 nan 0.000 0.498 322 S N -0.311 115.483 115.700 0.155 0.000 2.393 322 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 322 S C 1.491 176.019 174.600 -0.121 0.000 1.061 322 S CA 1.975 60.175 58.200 0.000 0.000 1.129 322 S CB -0.916 62.258 63.200 -0.043 0.000 1.011 322 S HN 0.139 nan 8.310 nan 0.000 0.436 323 V N 3.386 123.121 119.914 -0.298 0.000 3.299 323 V HA 0.166 4.286 4.120 -0.000 0.000 0.369 323 V C 0.313 176.297 176.094 -0.182 0.000 1.245 323 V CA -0.102 62.001 62.300 -0.329 0.000 1.459 323 V CB -1.257 30.204 31.823 -0.604 0.000 1.203 323 V HN 0.455 nan 8.190 nan 0.000 0.451 324 V N 1.967 121.830 119.914 -0.086 0.000 4.576 324 V HA -0.301 3.819 4.120 -0.000 0.000 0.256 324 V C 1.890 177.965 176.094 -0.031 0.000 1.158 324 V CA 0.948 63.242 62.300 -0.009 0.000 1.113 324 V CB -1.543 30.308 31.823 0.047 0.000 0.766 324 V HN 0.683 nan 8.190 nan 0.000 0.380 325 I N 2.906 123.400 120.570 -0.127 0.000 2.358 325 I HA -0.281 3.889 4.170 -0.000 0.000 0.257 325 I C 1.614 177.520 176.117 -0.352 0.000 1.123 325 I CA 1.956 63.079 61.300 -0.295 0.000 1.393 325 I CB -0.426 37.271 38.000 -0.506 0.000 1.073 325 I HN 0.598 nan 8.210 nan 0.000 0.437 326 F N 1.244 121.125 119.950 -0.116 0.000 2.731 326 F HA 0.013 4.540 4.527 -0.000 0.000 0.304 326 F C 1.562 177.311 175.800 -0.086 0.000 1.133 326 F CA -0.115 57.828 58.000 -0.095 0.000 1.380 326 F CB -0.861 38.085 39.000 -0.089 0.000 1.079 326 F HN 0.168 nan 8.300 nan 0.000 0.550 327 D N 1.508 121.932 120.400 0.040 0.000 2.092 327 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 327 D C -0.442 175.846 176.300 -0.020 0.000 0.994 327 D CA 1.144 55.145 54.000 0.002 0.000 0.828 327 D CB -2.411 38.369 40.800 -0.033 0.000 0.963 327 D HN 0.169 nan 8.370 nan 0.000 0.450 328 P HA -0.151 nan 4.420 nan 0.000 0.219 328 P C 1.228 178.499 177.300 -0.047 0.000 1.146 328 P CA 1.323 64.378 63.100 -0.074 0.000 0.808 328 P CB 0.017 31.653 31.700 -0.106 0.000 0.779 329 R N 0.273 120.766 120.500 -0.011 0.000 2.073 329 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 329 R C 2.446 178.749 176.300 0.005 0.000 1.134 329 R CA 1.568 57.677 56.100 0.016 0.000 0.952 329 R CB -0.469 29.887 30.300 0.093 0.000 0.850 329 R HN 0.354 nan 8.270 nan 0.000 0.433 330 E N 0.418 120.623 120.200 0.008 0.000 2.046 330 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 330 E C 2.116 178.704 176.600 -0.021 0.000 0.982 330 E CA 0.990 57.385 56.400 -0.010 0.000 0.800 330 E CB -0.110 29.583 29.700 -0.011 0.000 0.756 330 E HN 0.261 nan 8.360 nan 0.000 0.449 331 I N 0.873 121.428 120.570 -0.026 0.000 2.058 331 I HA -0.285 3.884 4.170 -0.000 0.000 0.235 331 I C 2.555 178.649 176.117 -0.039 0.000 1.053 331 I CA 1.168 62.448 61.300 -0.033 0.000 1.313 331 I CB -0.406 37.569 38.000 -0.042 0.000 1.039 331 I HN 0.012 nan 8.210 nan 0.000 0.396 332 S N -0.433 115.235 115.700 -0.053 0.000 2.595 332 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 332 S C 1.695 176.272 174.600 -0.039 0.000 0.974 332 S CA 1.047 59.213 58.200 -0.055 0.000 0.942 332 S CB -0.429 62.727 63.200 -0.074 0.000 0.766 332 S HN 0.422 nan 8.310 nan 0.000 0.536 333 E N 0.886 121.068 120.200 -0.031 0.000 2.065 333 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 333 E C 1.093 177.678 176.600 -0.026 0.000 0.960 333 E CA 0.248 56.632 56.400 -0.026 0.000 0.824 333 E CB -0.081 29.606 29.700 -0.022 0.000 0.793 333 E HN 0.386 nan 8.360 nan 0.000 0.459 334 N N 0.957 119.640 118.700 -0.028 0.000 2.551 334 N HA -0.009 4.731 4.740 -0.000 0.000 0.199 334 N C -0.606 174.889 175.510 -0.024 0.000 1.277 334 N CA 0.555 53.588 53.050 -0.028 0.000 0.870 334 N CB -0.075 38.393 38.487 -0.031 0.000 1.028 334 N HN 0.208 nan 8.380 nan 0.000 0.452 335 I N -0.088 120.467 120.570 -0.024 0.000 7.386 335 I HA -0.285 3.885 4.170 -0.000 0.000 0.126 335 I C -0.332 175.774 176.117 -0.018 0.000 1.839 335 I CA 0.722 62.010 61.300 -0.021 0.000 2.038 335 I CB -0.821 37.169 38.000 -0.017 0.000 3.643 335 I HN 0.099 nan 8.210 nan 0.000 0.169 336 R N 5.191 125.678 120.500 -0.023 0.000 2.518 336 R HA 0.503 4.843 4.340 -0.000 0.000 0.287 336 R C -1.015 175.278 176.300 -0.012 0.000 1.135 336 R CA -1.132 54.959 56.100 -0.014 0.000 0.967 336 R CB 1.760 32.051 30.300 -0.014 0.000 1.212 336 R HN 0.301 nan 8.270 nan 0.000 0.422 337 K N 4.786 125.199 120.400 0.022 0.000 2.473 337 K HA 0.149 4.468 4.320 -0.000 0.000 0.246 337 K C -0.012 176.709 176.600 0.201 0.000 1.011 337 K CA -0.636 55.698 56.287 0.080 0.000 0.984 337 K CB 0.663 33.189 32.500 0.044 0.000 1.250 337 K HN 0.598 nan 8.250 nan 0.000 0.454 338 Y N -0.246 120.011 120.300 -0.073 0.000 2.844 338 Y HA 0.170 4.720 4.550 -0.000 0.000 0.350 338 Y C 0.284 176.121 175.900 -0.105 0.000 1.277 338 Y CA -0.422 57.635 58.100 -0.071 0.000 1.478 338 Y CB 0.357 38.786 38.460 -0.050 0.000 1.346 338 Y HN 0.582 nan 8.280 nan 0.000 0.660 339 G N 0.689 109.392 108.800 -0.161 0.000 2.575 339 G HA2 0.538 4.497 3.960 -0.000 0.000 0.279 339 G HA3 0.538 4.497 3.960 -0.000 0.000 0.279 339 G C -0.988 173.748 174.900 -0.273 0.000 1.460 339 G CA -0.192 44.732 45.100 -0.293 0.000 1.214 339 G HN 1.129 nan 8.290 nan 0.000 0.582 340 G N 1.170 109.690 108.800 -0.468 0.000 2.703 340 G HA2 0.607 4.567 3.960 -0.000 0.000 0.294 340 G HA3 0.607 4.567 3.960 -0.000 0.000 0.294 340 G C 0.114 174.677 174.900 -0.562 0.000 1.451 340 G CA 0.079 44.996 45.100 -0.304 0.000 0.869 340 G HN 1.977 nan 8.290 nan 0.000 0.516 341 Y N -0.794 119.465 120.300 -0.068 0.000 4.047 341 Y HA -0.237 4.312 4.550 -0.000 0.000 0.213 341 Y C -0.002 175.863 175.900 -0.058 0.000 1.112 341 Y CA 0.947 59.020 58.100 -0.047 0.000 1.644 341 Y CB -2.443 36.004 38.460 -0.022 0.000 1.519 341 Y HN 1.164 nan 8.280 nan 0.000 0.624 342 I N -2.392 117.957 120.570 -0.367 0.000 1.588 342 I HA -0.015 4.155 4.170 -0.000 0.000 0.313 342 I C -2.601 173.268 176.117 -0.414 0.000 3.147 342 I CA -0.773 60.341 61.300 -0.309 0.000 1.038 342 I CB 0.765 38.641 38.000 -0.206 0.000 2.516 342 I HN -0.132 nan 8.210 nan 0.000 0.692 343 P HA 0.104 nan 4.420 nan 0.000 0.263 343 P C 0.251 177.337 177.300 -0.356 0.000 1.247 343 P CA 0.376 63.313 63.100 -0.272 0.000 0.876 343 P CB -0.104 31.496 31.700 -0.168 0.000 0.928 344 G N 2.589 111.074 108.800 -0.525 0.000 2.680 344 G HA2 0.228 4.188 3.960 -0.000 0.000 0.274 344 G HA3 0.228 4.188 3.960 -0.000 0.000 0.274 344 G C 0.101 174.855 174.900 -0.243 0.000 1.292 344 G CA -0.076 44.585 45.100 -0.732 0.000 1.007 344 G HN 0.526 nan 8.290 nan 0.000 0.578 345 L N -2.254 119.000 121.223 0.052 0.000 2.150 345 L HA 0.275 4.615 4.340 -0.000 0.000 0.136 345 L C 0.371 177.285 176.870 0.074 0.000 1.629 345 L CA -0.812 54.061 54.840 0.056 0.000 1.014 345 L CB -0.058 41.974 42.059 -0.046 0.000 1.812 345 L HN 0.430 nan 8.230 nan 0.000 0.446 346 R N 2.585 123.072 120.500 -0.022 0.000 2.474 346 R HA -0.032 4.308 4.340 -0.000 0.000 0.290 346 R C -2.181 174.036 176.300 -0.138 0.000 0.918 346 R CA -0.262 55.788 56.100 -0.083 0.000 1.130 346 R CB -0.276 29.949 30.300 -0.124 0.000 0.881 346 R HN 0.193 nan 8.270 nan 0.000 0.416 347 P HA 0.173 nan 4.420 nan 0.000 0.341 347 P C 0.224 177.446 177.300 -0.131 0.000 1.368 347 P CA 0.091 63.111 63.100 -0.132 0.000 0.835 347 P CB 0.160 31.814 31.700 -0.078 0.000 2.010 348 G N -0.228 108.513 108.800 -0.098 0.000 2.586 348 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.308 348 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.308 348 G C 1.014 175.855 174.900 -0.099 0.000 1.317 348 G CA 0.622 45.673 45.100 -0.082 0.000 0.922 348 G HN 0.537 nan 8.290 nan 0.000 0.551 349 R N -0.127 120.326 120.500 -0.079 0.000 2.237 349 R HA 0.018 4.357 4.340 -0.000 0.000 0.219 349 R C 2.995 179.252 176.300 -0.071 0.000 1.080 349 R CA 1.200 57.249 56.100 -0.086 0.000 0.995 349 R CB -0.384 29.867 30.300 -0.082 0.000 0.875 349 R HN 0.470 nan 8.270 nan 0.000 0.462 350 S N 0.085 115.752 115.700 -0.054 0.000 2.419 350 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 350 S C 1.585 176.179 174.600 -0.010 0.000 1.019 350 S CA 1.739 59.936 58.200 -0.005 0.000 0.982 350 S CB -0.088 63.108 63.200 -0.007 0.000 0.789 350 S HN 0.337 nan 8.310 nan 0.000 0.490 351 T N 1.029 115.496 114.554 -0.145 0.000 2.777 351 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 351 T C 1.718 176.343 174.700 -0.124 0.000 1.040 351 T CA 1.544 63.466 62.100 -0.298 0.000 1.141 351 T CB -0.433 68.146 68.868 -0.482 0.000 0.868 351 T HN 0.547 nan 8.240 nan 0.000 0.444 352 E N 1.326 121.470 120.200 -0.093 0.000 2.265 352 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 352 E C 2.158 178.773 176.600 0.024 0.000 0.996 352 E CA 1.171 57.537 56.400 -0.056 0.000 0.832 352 E CB -0.169 29.465 29.700 -0.109 0.000 0.756 352 E HN 0.557 nan 8.360 nan 0.000 0.491 353 Q N -1.010 118.827 119.800 0.062 0.000 1.965 353 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 353 Q C 1.909 178.029 176.000 0.200 0.000 0.981 353 Q CA 1.643 57.520 55.803 0.123 0.000 0.834 353 Q CB -0.397 28.424 28.738 0.139 0.000 0.900 353 Q HN 0.375 nan 8.270 nan 0.000 0.426 354 Y N 1.107 121.453 120.300 0.077 0.000 2.151 354 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 354 Y C 2.112 178.087 175.900 0.124 0.000 1.166 354 Y CA 1.225 59.410 58.100 0.143 0.000 1.163 354 Y CB -0.351 38.282 38.460 0.289 0.000 0.974 354 Y HN 0.095 nan 8.280 nan 0.000 0.511 355 L N -1.619 119.764 121.223 0.267 0.000 2.093 355 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 355 L C 2.345 179.267 176.870 0.087 0.000 1.085 355 L CA 1.575 56.513 54.840 0.163 0.000 0.755 355 L CB -0.756 41.364 42.059 0.100 0.000 0.904 355 L HN 0.243 nan 8.230 nan 0.000 0.435 356 H N 0.756 119.808 119.070 -0.031 0.000 2.353 356 H HA -0.157 4.399 4.556 -0.000 0.000 0.298 356 H C 2.428 177.696 175.328 -0.100 0.000 1.103 356 H CA 1.807 57.796 56.048 -0.100 0.000 1.293 356 H CB 0.079 29.788 29.762 -0.089 0.000 1.372 356 H HN 0.101 nan 8.280 nan 0.000 0.501 357 R N -0.644 119.816 120.500 -0.067 0.000 2.082 357 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 357 R C 2.447 178.650 176.300 -0.162 0.000 1.136 357 R CA 1.762 57.777 56.100 -0.141 0.000 0.935 357 R CB -0.577 29.651 30.300 -0.120 0.000 0.842 357 R HN 0.206 nan 8.270 nan 0.000 0.430 358 V N 1.938 121.784 119.914 -0.113 0.000 2.469 358 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 358 V C 2.373 178.400 176.094 -0.112 0.000 1.064 358 V CA 1.591 63.825 62.300 -0.110 0.000 1.066 358 V CB -0.612 31.172 31.823 -0.065 0.000 0.667 358 V HN 0.275 nan 8.190 nan 0.000 0.461 359 L N 0.298 121.465 121.223 -0.093 0.000 1.932 359 L HA -0.198 4.141 4.340 -0.000 0.000 0.217 359 L C 2.501 179.148 176.870 -0.370 0.000 1.077 359 L CA 2.037 56.879 54.840 0.003 0.000 0.765 359 L CB -0.900 41.165 42.059 0.010 0.000 0.888 359 L HN 0.360 nan 8.230 nan 0.000 0.433 360 N N 0.208 118.570 118.700 -0.563 0.000 2.364 360 N HA -0.184 4.556 4.740 -0.000 0.000 0.183 360 N C 1.782 176.758 175.510 -0.890 0.000 1.022 360 N CA 1.278 53.787 53.050 -0.902 0.000 0.883 360 N CB -0.314 37.663 38.487 -0.850 0.000 0.965 360 N HN 0.499 nan 8.380 nan 0.000 0.438 361 R N 1.057 121.311 120.500 -0.409 0.000 2.062 361 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 361 R C 2.136 178.376 176.300 -0.100 0.000 1.125 361 R CA 1.492 57.548 56.100 -0.074 0.000 0.966 361 R CB -0.907 29.386 30.300 -0.012 0.000 0.861 361 R HN 0.111 nan 8.270 nan 0.000 0.433 362 V N -0.645 119.147 119.914 -0.203 0.000 2.759 362 V HA -0.087 4.033 4.120 -0.000 0.000 0.256 362 V C 1.753 177.689 176.094 -0.262 0.000 1.080 362 V CA 1.952 64.153 62.300 -0.165 0.000 1.101 362 V CB -0.764 30.975 31.823 -0.141 0.000 0.698 362 V HN 0.345 nan 8.190 nan 0.000 0.477 363 T N 0.372 114.597 114.554 -0.548 0.000 2.857 363 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 363 T C 1.545 176.060 174.700 -0.308 0.000 1.048 363 T CA 1.818 63.554 62.100 -0.607 0.000 1.139 363 T CB -0.478 67.754 68.868 -1.060 0.000 0.874 363 T HN 0.551 nan 8.240 nan 0.000 0.455 364 F N 1.155 120.990 119.950 -0.191 0.000 2.102 364 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 364 F C 2.195 177.931 175.800 -0.108 0.000 1.105 364 F CA 0.771 58.716 58.000 -0.091 0.000 1.239 364 F CB -0.474 38.499 39.000 -0.045 0.000 0.991 364 F HN 0.097 nan 8.300 nan 0.000 0.474 365 I N -0.096 120.565 120.570 0.152 0.000 2.226 365 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 365 I C 2.805 179.058 176.117 0.226 0.000 1.100 365 I CA 1.429 62.836 61.300 0.179 0.000 1.374 365 I CB -1.349 36.764 38.000 0.188 0.000 1.057 365 I HN 0.172 nan 8.210 nan 0.000 0.413 366 G N 0.793 109.661 108.800 0.113 0.000 2.469 366 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.219 366 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.219 366 G C 1.889 176.799 174.900 0.018 0.000 1.150 366 G CA 0.996 46.216 45.100 0.200 0.000 0.763 366 G HN 0.510 nan 8.290 nan 0.000 0.561 367 A N 0.235 122.654 122.820 -0.668 0.000 1.883 367 A HA 0.014 4.333 4.320 -0.000 0.000 0.217 367 A C 2.630 180.030 177.584 -0.308 0.000 1.186 367 A CA 2.033 53.346 52.037 -1.206 0.000 0.624 367 A CB -0.798 17.679 19.000 -0.872 0.000 0.822 367 A HN 0.331 nan 8.150 nan 0.000 0.444 368 V N -1.023 118.811 119.914 -0.133 0.000 2.250 368 V HA -0.349 3.771 4.120 -0.000 0.000 0.253 368 V C 2.333 178.324 176.094 -0.171 0.000 1.065 368 V CA 2.557 64.770 62.300 -0.146 0.000 1.039 368 V CB -1.117 30.597 31.823 -0.181 0.000 0.647 368 V HN 0.564 nan 8.190 nan 0.000 0.446 369 F N -0.533 119.429 119.950 0.021 0.000 2.094 369 F HA 0.005 4.531 4.527 -0.000 0.000 0.291 369 F C 2.210 178.080 175.800 0.116 0.000 1.109 369 F CA 1.344 59.381 58.000 0.062 0.000 1.221 369 F CB -0.792 38.264 39.000 0.093 0.000 1.014 369 F HN -0.020 nan 8.300 nan 0.000 0.473 370 L N -0.298 121.181 121.223 0.427 0.000 2.012 370 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 370 L C 2.323 179.386 176.870 0.323 0.000 1.073 370 L CA 1.053 56.132 54.840 0.399 0.000 0.748 370 L CB -1.164 41.249 42.059 0.590 0.000 0.891 370 L HN 0.014 nan 8.230 nan 0.000 0.431 371 V N -0.748 119.361 119.914 0.326 0.000 2.594 371 V HA -0.210 3.909 4.120 -0.000 0.000 0.253 371 V C 2.293 178.449 176.094 0.103 0.000 1.069 371 V CA 1.222 63.657 62.300 0.224 0.000 1.082 371 V CB -0.163 31.739 31.823 0.132 0.000 0.680 371 V HN 0.263 nan 8.190 nan 0.000 0.469 372 V N -0.517 119.437 119.914 0.067 0.000 3.217 372 V HA -0.077 4.043 4.120 -0.000 0.000 0.264 372 V C 1.857 177.983 176.094 0.054 0.000 1.135 372 V CA 1.220 63.525 62.300 0.009 0.000 1.142 372 V CB -0.101 31.675 31.823 -0.079 0.000 0.754 372 V HN 0.456 nan 8.190 nan 0.000 0.484 373 I N 0.057 120.692 120.570 0.110 0.000 2.162 373 I HA -0.127 4.043 4.170 -0.000 0.000 0.238 373 I C 2.650 178.866 176.117 0.165 0.000 1.076 373 I CA 1.439 62.813 61.300 0.124 0.000 1.353 373 I CB -0.601 37.476 38.000 0.129 0.000 1.063 373 I HN 0.310 nan 8.210 nan 0.000 0.408 374 A N 0.456 123.384 122.820 0.181 0.000 1.972 374 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 374 A C 2.305 179.912 177.584 0.038 0.000 1.169 374 A CA 1.367 53.532 52.037 0.213 0.000 0.635 374 A CB -0.793 18.308 19.000 0.169 0.000 0.810 374 A HN 0.443 nan 8.150 nan 0.000 0.446 375 L N -1.002 120.208 121.223 -0.022 0.000 2.395 375 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 375 L C 2.325 179.241 176.870 0.076 0.000 1.130 375 L CA 0.423 55.228 54.840 -0.058 0.000 0.826 375 L CB -0.143 41.875 42.059 -0.069 0.000 0.941 375 L HN 0.514 nan 8.230 nan 0.000 0.451 376 L N 0.879 122.161 121.223 0.099 0.000 1.970 376 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 376 L C -0.387 176.564 176.870 0.134 0.000 1.071 376 L CA 1.862 56.755 54.840 0.090 0.000 0.751 376 L CB -1.141 40.972 42.059 0.090 0.000 0.889 376 L HN 0.146 nan 8.230 nan 0.000 0.432 377 P HA -0.208 nan 4.420 nan 0.000 0.220 377 P C 1.087 178.464 177.300 0.129 0.000 1.148 377 P CA 1.562 64.802 63.100 0.234 0.000 0.803 377 P CB -0.231 31.725 31.700 0.426 0.000 0.782 378 Y N -0.151 120.108 120.300 -0.069 0.000 2.421 378 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 378 Y C 2.484 178.353 175.900 -0.051 0.000 1.136 378 Y CA 0.853 58.879 58.100 -0.124 0.000 1.255 378 Y CB -0.946 37.357 38.460 -0.261 0.000 0.991 378 Y HN -0.119 nan 8.280 nan 0.000 0.552 379 L N -1.606 119.676 121.223 0.098 0.000 2.529 379 L HA -0.003 4.337 4.340 -0.000 0.000 0.223 379 L C 1.375 178.237 176.870 -0.014 0.000 1.113 379 L CA 0.129 54.994 54.840 0.042 0.000 0.861 379 L CB 0.133 42.199 42.059 0.012 0.000 1.012 379 L HN 0.022 nan 8.230 nan 0.000 0.461 380 V N -1.773 118.129 119.914 -0.021 0.000 3.523 380 V HA 0.010 4.129 4.120 -0.000 0.000 0.255 380 V C 1.061 177.155 176.094 0.001 0.000 1.226 380 V CA 0.290 62.563 62.300 -0.045 0.000 1.092 380 V CB 0.209 31.985 31.823 -0.078 0.000 0.817 380 V HN 0.334 nan 8.190 nan 0.000 0.458 381 Q N 0.888 120.682 119.800 -0.011 0.000 3.207 381 Q HA 0.323 4.663 4.340 -0.000 0.000 0.335 381 Q C 1.146 177.118 176.000 -0.046 0.000 1.374 381 Q CA 0.267 56.050 55.803 -0.033 0.000 1.023 381 Q CB 0.369 29.049 28.738 -0.096 0.000 1.576 381 Q HN 0.560 nan 8.270 nan 0.000 0.515 382 G N -1.065 107.728 108.800 -0.012 0.000 3.104 382 G HA2 0.256 4.216 3.960 -0.000 0.000 0.237 382 G HA3 0.256 4.216 3.960 -0.000 0.000 0.237 382 G C 0.770 175.672 174.900 0.004 0.000 1.035 382 G CA 0.576 45.675 45.100 -0.002 0.000 0.844 382 G HN 0.447 nan 8.290 nan 0.000 0.531 383 A N 0.038 122.863 122.820 0.009 0.000 1.988 383 A HA 0.635 4.955 4.320 -0.000 0.000 0.201 383 A C 0.465 178.061 177.584 0.020 0.000 1.410 383 A CA 0.393 52.440 52.037 0.015 0.000 0.832 383 A CB 0.438 19.451 19.000 0.022 0.000 0.981 383 A HN 0.175 nan 8.150 nan 0.000 0.492 384 I N 1.467 122.053 120.570 0.027 0.000 2.476 384 I HA 0.249 4.419 4.170 -0.000 0.000 0.281 384 I C -1.177 174.958 176.117 0.030 0.000 1.040 384 I CA -0.395 60.925 61.300 0.033 0.000 1.094 384 I CB 1.874 39.904 38.000 0.050 0.000 1.219 384 I HN 0.083 nan 8.210 nan 0.000 0.450 385 K N 5.352 125.760 120.400 0.014 0.000 2.156 385 K HA 0.627 4.947 4.320 -0.000 0.000 0.271 385 K C -0.822 175.795 176.600 0.028 0.000 0.995 385 K CA -0.722 55.564 56.287 -0.002 0.000 0.890 385 K CB 2.560 35.036 32.500 -0.041 0.000 1.073 385 K HN 0.252 nan 8.250 nan 0.000 0.454 386 V N 3.216 123.159 119.914 0.048 0.000 2.384 386 V HA 0.100 4.219 4.120 -0.000 0.000 0.287 386 V C 0.326 176.489 176.094 0.115 0.000 1.020 386 V CA -0.960 61.397 62.300 0.096 0.000 0.850 386 V CB 1.190 33.086 31.823 0.121 0.000 0.987 386 V HN 0.725 nan 8.190 nan 0.000 0.436 387 N N 3.394 122.172 118.700 0.130 0.000 2.542 387 N HA 0.071 4.811 4.740 -0.000 0.000 0.234 387 N C -0.361 175.311 175.510 0.270 0.000 1.257 387 N CA 0.248 53.386 53.050 0.147 0.000 0.883 387 N CB 0.731 39.249 38.487 0.052 0.000 1.197 387 N HN 0.495 nan 8.380 nan 0.000 0.488 388 V N 0.685 120.750 119.914 0.253 0.000 2.558 388 V HA 0.091 4.211 4.120 -0.000 0.000 0.261 388 V C -0.012 176.212 176.094 0.217 0.000 0.958 388 V CA -0.808 61.634 62.300 0.237 0.000 0.852 388 V CB 0.699 32.681 31.823 0.265 0.000 1.067 388 V HN 0.370 nan 8.190 nan 0.000 0.468 389 W N 4.112 125.410 121.300 -0.002 0.000 3.256 389 W HA 0.364 5.024 4.660 -0.000 0.000 0.269 389 W C 0.767 177.237 176.519 -0.080 0.000 1.310 389 W CA -0.801 56.536 57.345 -0.014 0.000 1.673 389 W CB 0.076 29.549 29.460 0.021 0.000 1.115 389 W HN 0.452 nan 8.180 nan 0.000 0.686 390 I N 2.273 122.718 120.570 -0.207 0.000 3.076 390 I HA 0.005 4.175 4.170 -0.000 0.000 0.287 390 I C 1.447 177.307 176.117 -0.428 0.000 1.204 390 I CA 1.878 62.921 61.300 -0.429 0.000 1.370 390 I CB -0.801 36.900 38.000 -0.498 0.000 1.444 390 I HN 0.323 nan 8.210 nan 0.000 0.549 391 G N 3.926 112.388 108.800 -0.562 0.000 3.468 391 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 391 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 391 G C 0.888 175.489 174.900 -0.498 0.000 0.968 391 G CA -0.042 44.803 45.100 -0.426 0.000 0.851 391 G HN 0.645 nan 8.290 nan 0.000 0.524 392 G N 0.855 109.171 108.800 -0.808 0.000 2.496 392 G HA2 0.078 4.038 3.960 -0.000 0.000 0.214 392 G HA3 0.078 4.038 3.960 -0.000 0.000 0.214 392 G C 1.661 176.259 174.900 -0.504 0.000 1.234 392 G CA 2.589 47.296 45.100 -0.656 0.000 0.807 392 G HN 0.415 nan 8.290 nan 0.000 0.543 393 T N 1.866 116.036 114.554 -0.640 0.000 2.614 393 T HA -0.181 4.168 4.350 -0.000 0.000 0.263 393 T C 2.906 177.365 174.700 -0.401 0.000 1.055 393 T CA 2.540 64.395 62.100 -0.409 0.000 1.162 393 T CB -0.723 67.922 68.868 -0.372 0.000 0.863 393 T HN 0.495 nan 8.240 nan 0.000 0.414 394 S N 2.488 117.915 115.700 -0.455 0.000 2.389 394 S HA -0.220 4.250 4.470 -0.000 0.000 0.231 394 S C 2.357 176.706 174.600 -0.418 0.000 1.052 394 S CA 1.356 59.282 58.200 -0.458 0.000 1.053 394 S CB -0.916 62.041 63.200 -0.406 0.000 0.886 394 S HN 0.569 nan 8.310 nan 0.000 0.456 395 A N 2.324 124.940 122.820 -0.340 0.000 1.855 395 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 395 A C 2.345 179.783 177.584 -0.243 0.000 1.191 395 A CA 1.452 53.332 52.037 -0.262 0.000 0.613 395 A CB -0.968 17.885 19.000 -0.246 0.000 0.829 395 A HN 0.525 nan 8.150 nan 0.000 0.442 396 L N -0.310 120.773 121.223 -0.234 0.000 2.189 396 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 396 L C 2.307 179.050 176.870 -0.212 0.000 1.097 396 L CA 1.221 55.955 54.840 -0.176 0.000 0.764 396 L CB -0.699 41.274 42.059 -0.143 0.000 0.900 396 L HN 0.471 nan 8.230 nan 0.000 0.436 397 I N -0.701 119.660 120.570 -0.349 0.000 2.270 397 I HA -0.122 4.048 4.170 -0.000 0.000 0.239 397 I C 2.859 178.728 176.117 -0.413 0.000 1.080 397 I CA 0.899 61.906 61.300 -0.489 0.000 1.383 397 I CB -0.739 36.675 38.000 -0.977 0.000 1.097 397 I HN 0.082 nan 8.210 nan 0.000 0.420 398 A N 1.182 123.742 122.820 -0.434 0.000 1.917 398 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 398 A C 2.460 180.040 177.584 -0.008 0.000 1.182 398 A CA 2.238 54.236 52.037 -0.066 0.000 0.633 398 A CB -1.142 17.848 19.000 -0.017 0.000 0.819 398 A HN 0.271 nan 8.150 nan 0.000 0.448 399 V N -0.143 119.729 119.914 -0.069 0.000 2.358 399 V HA -0.150 3.969 4.120 -0.000 0.000 0.246 399 V C 2.826 178.909 176.094 -0.017 0.000 1.047 399 V CA 1.741 64.018 62.300 -0.038 0.000 1.035 399 V CB -1.606 30.180 31.823 -0.061 0.000 0.658 399 V HN 0.631 nan 8.190 nan 0.000 0.452 400 G N 0.501 109.277 108.800 -0.040 0.000 2.529 400 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 400 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 400 G C 1.628 176.543 174.900 0.025 0.000 1.177 400 G CA 1.591 46.682 45.100 -0.015 0.000 0.773 400 G HN 0.419 nan 8.290 nan 0.000 0.573 401 V N 1.482 121.433 119.914 0.062 0.000 2.515 401 V HA -0.046 4.074 4.120 -0.000 0.000 0.250 401 V C 3.250 179.386 176.094 0.070 0.000 1.058 401 V CA 1.745 64.099 62.300 0.090 0.000 1.064 401 V CB -0.910 31.009 31.823 0.159 0.000 0.675 401 V HN 0.523 nan 8.190 nan 0.000 0.461 402 A N 0.661 123.518 122.820 0.062 0.000 1.851 402 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 402 A C 2.224 179.834 177.584 0.043 0.000 1.195 402 A CA 2.030 54.099 52.037 0.053 0.000 0.622 402 A CB -0.646 18.377 19.000 0.039 0.000 0.831 402 A HN 0.489 nan 8.150 nan 0.000 0.444 403 L N -0.362 120.880 121.223 0.031 0.000 2.013 403 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 403 L C 2.193 179.080 176.870 0.029 0.000 1.073 403 L CA 1.725 56.581 54.840 0.026 0.000 0.753 403 L CB -0.910 41.160 42.059 0.018 0.000 0.890 403 L HN 0.376 nan 8.230 nan 0.000 0.432 404 D N 0.277 120.695 120.400 0.031 0.000 2.144 404 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 404 D C 2.269 178.588 176.300 0.032 0.000 0.984 404 D CA 1.328 55.345 54.000 0.028 0.000 0.834 404 D CB -0.020 40.798 40.800 0.030 0.000 0.955 404 D HN 0.404 nan 8.370 nan 0.000 0.465 405 I N 0.895 121.492 120.570 0.045 0.000 2.546 405 I HA -0.161 4.008 4.170 -0.000 0.000 0.255 405 I C 2.260 178.416 176.117 0.064 0.000 1.163 405 I CA 0.423 61.758 61.300 0.059 0.000 1.457 405 I CB -0.064 37.988 38.000 0.088 0.000 1.092 405 I HN -0.062 nan 8.210 nan 0.000 0.434 406 I N 0.335 120.936 120.570 0.053 0.000 2.567 406 I HA -0.270 3.900 4.170 -0.000 0.000 0.257 406 I C 2.452 178.595 176.117 0.044 0.000 1.184 406 I CA 0.982 62.312 61.300 0.049 0.000 1.451 406 I CB -0.251 37.772 38.000 0.038 0.000 1.089 406 I HN 0.264 nan 8.210 nan 0.000 0.441 407 Q N 0.716 120.537 119.800 0.034 0.000 2.187 407 Q HA -0.145 4.195 4.340 -0.000 0.000 0.199 407 Q C 2.118 178.134 176.000 0.027 0.000 0.957 407 Q CA 1.321 57.136 55.803 0.022 0.000 0.857 407 Q CB -0.017 28.727 28.738 0.010 0.000 0.929 407 Q HN 0.468 nan 8.270 nan 0.000 0.453 408 Q N -0.949 118.877 119.800 0.043 0.000 2.124 408 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 408 Q C 1.851 177.927 176.000 0.127 0.000 0.977 408 Q CA 1.500 57.345 55.803 0.070 0.000 0.850 408 Q CB -0.019 28.765 28.738 0.078 0.000 0.901 408 Q HN 0.463 nan 8.270 nan 0.000 0.429 409 M N -0.333 119.335 119.600 0.113 0.000 2.334 409 M HA -0.073 4.407 4.480 -0.000 0.000 0.266 409 M C 1.690 178.048 176.300 0.097 0.000 1.082 409 M CA 0.955 56.330 55.300 0.125 0.000 1.141 409 M CB -0.014 32.645 32.600 0.098 0.000 1.380 409 M HN 0.120 nan 8.290 nan 0.000 0.440 410 E N 0.137 120.374 120.200 0.061 0.000 2.130 410 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 410 E C 1.832 178.448 176.600 0.027 0.000 0.998 410 E CA 1.767 58.190 56.400 0.038 0.000 0.806 410 E CB -0.053 29.659 29.700 0.020 0.000 0.738 410 E HN 0.484 nan 8.360 nan 0.000 0.459 411 T N -0.356 114.204 114.554 0.010 0.000 2.814 411 T HA -0.073 4.277 4.350 -0.000 0.000 0.254 411 T C 1.613 176.301 174.700 -0.019 0.000 1.037 411 T CA 0.627 62.703 62.100 -0.038 0.000 1.143 411 T CB -0.249 68.553 68.868 -0.110 0.000 0.866 411 T HN 0.202 nan 8.240 nan 0.000 0.431 412 H N 0.445 119.531 119.070 0.026 0.000 2.489 412 H HA 0.154 4.710 4.556 -0.000 0.000 0.295 412 H C 1.304 176.656 175.328 0.040 0.000 1.082 412 H CA 0.587 56.656 56.048 0.035 0.000 1.295 412 H CB -0.354 29.433 29.762 0.042 0.000 1.380 412 H HN 0.340 nan 8.280 nan 0.000 0.548 413 M N -0.494 119.199 119.600 0.154 0.000 1.868 413 M HA -0.050 4.430 4.480 -0.000 0.000 0.227 413 M C 0.670 177.034 176.300 0.106 0.000 1.334 413 M CA 0.225 55.594 55.300 0.116 0.000 0.974 413 M CB 0.772 33.428 32.600 0.093 0.000 1.303 413 M HN -0.138 nan 8.290 nan 0.000 0.446 414 V N 1.065 121.050 119.914 0.118 0.000 5.169 414 V HA -0.286 3.834 4.120 -0.000 0.000 0.354 414 V C 0.646 176.826 176.094 0.144 0.000 0.683 414 V CA 0.664 63.058 62.300 0.158 0.000 1.377 414 V CB -1.732 30.145 31.823 0.090 0.000 1.647 414 V HN 0.965 nan 8.190 nan 0.000 0.461 415 M N 3.384 123.056 119.600 0.119 0.000 2.697 415 M HA 0.014 4.494 4.480 -0.000 0.000 0.276 415 M C 1.026 177.362 176.300 0.060 0.000 1.078 415 M CA 1.915 57.256 55.300 0.069 0.000 1.079 415 M CB 0.235 32.843 32.600 0.013 0.000 1.207 415 M HN 0.661 nan 8.290 nan 0.000 0.506 416 R N -0.668 119.810 120.500 -0.035 0.000 2.539 416 R HA 0.183 4.523 4.340 -0.000 0.000 0.295 416 R C -0.520 175.633 176.300 -0.245 0.000 1.138 416 R CA -0.405 55.576 56.100 -0.198 0.000 0.936 416 R CB 0.719 30.678 30.300 -0.569 0.000 1.182 416 R HN 0.403 nan 8.270 nan 0.000 0.459 417 H N 0.879 119.876 119.070 -0.121 0.000 2.547 417 H HA 0.010 4.565 4.556 -0.000 0.000 0.266 417 H C -0.172 175.163 175.328 0.012 0.000 0.988 417 H CA 0.498 56.536 56.048 -0.016 0.000 1.147 417 H CB 0.063 29.870 29.762 0.074 0.000 1.365 417 H HN 0.447 nan 8.280 nan 0.000 0.589 418 Y N -1.169 119.207 120.300 0.128 0.000 2.299 418 Y HA 0.300 4.850 4.550 -0.000 0.000 0.326 418 Y C 0.806 176.721 175.900 0.025 0.000 1.164 418 Y CA -1.368 56.779 58.100 0.079 0.000 1.234 418 Y CB 0.757 39.254 38.460 0.062 0.000 1.219 418 Y HN 0.170 nan 8.280 nan 0.000 0.497 419 E N 0.748 121.053 120.200 0.174 0.000 3.812 419 E HA -0.323 4.027 4.350 -0.000 0.000 0.321 419 E C 1.581 178.122 176.600 -0.098 0.000 0.674 419 E CA 1.050 57.490 56.400 0.067 0.000 1.113 419 E CB -1.520 28.255 29.700 0.125 0.000 1.602 419 E HN 1.089 nan 8.360 nan 0.000 0.440 420 G N -0.155 108.535 108.800 -0.184 0.000 2.505 420 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.220 420 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.220 420 G C 0.908 175.351 174.900 -0.762 0.000 1.145 420 G CA 1.464 46.305 45.100 -0.433 0.000 0.761 420 G HN 0.288 nan 8.290 nan 0.000 0.571 421 F N 0.103 120.028 119.950 -0.042 0.000 2.739 421 F HA 0.434 4.961 4.527 -0.000 0.000 0.366 421 F C 0.229 176.031 175.800 0.004 0.000 1.279 421 F CA -0.822 57.165 58.000 -0.022 0.000 1.151 421 F CB 0.359 39.343 39.000 -0.028 0.000 1.132 421 F HN 0.049 nan 8.300 nan 0.000 0.511 422 I N -3.681 116.950 120.570 0.102 0.000 3.560 422 I HA 0.413 4.583 4.170 -0.000 0.000 0.308 422 I C -0.002 176.148 176.117 0.056 0.000 1.202 422 I CA -1.578 59.777 61.300 0.092 0.000 1.023 422 I CB 0.901 38.967 38.000 0.110 0.000 1.347 422 I HN -0.243 nan 8.210 nan 0.000 0.467 423 K N 0.000 120.436 120.400 0.060 0.000 2.780 423 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 423 K CA 0.000 56.315 56.287 0.047 0.000 0.838 423 K CB 0.000 32.527 32.500 0.045 0.000 1.064 423 K HN 0.000 nan 8.250 nan 0.000 0.543