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 2q6t_1_C DATA FIRST_RESID 4 DATA SEQUENCE PIPPHSLEAE QSVLGSILLD SDVMDEVEGL LPSPEAFYAE AHRKIYAAMQ DATA SEQUENCE ALRSQGRPVD LVTLSEELSR RGQLEEVGGT AYLLQLSEAT PTAAYAEHYA DATA SEQUENCE RIVAEKWTLR RLIQAAGEAM RLAYEEAGSL DEILDTAGKK ILEVALTKTD DATA SEQUENCE TEARPMRELV HETFEHIXXX XXXXXXXXXX XTGFKELDQL IGTLGPGSLN DATA SEQUENCE IIAARPAMGK TAFALTIAQN AALKEGVGVG IYSLEMPAAQ LTLRMMCSEA DATA SEQUENCE RIDMNXXXXX XXXXXDFSRL VDVASRLSEA PIYIDDTPDL TLMEVRARAR DATA SEQUENCE RLVSQNQVGL IIIDYLQLMS GPXXXXXXXN RQQEIAAISR GLKALARELG DATA SEQUENCE IPIIALSQLS RAVEARPNKR PMLSDLRESG SIEQDADLVM FIYRDEYYNP DATA SEQUENCE HSEKAGIAEI IVGKQRNGPT GTVELQFHAS HVRFNDL 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.322 177.300 0.037 0.000 1.155 4 P CA 0.000 63.116 63.100 0.027 0.000 0.800 4 P CB 0.000 31.715 31.700 0.025 0.000 0.726 5 I N 3.671 124.265 120.570 0.039 0.000 2.587 5 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 5 I C -1.312 174.824 176.117 0.031 0.000 1.134 5 I CA -1.181 60.152 61.300 0.054 0.000 1.410 5 I CB 0.024 38.064 38.000 0.068 0.000 1.392 5 I HN 0.147 nan 8.210 nan 0.000 0.545 6 P HA 0.231 nan 4.420 nan 0.000 0.271 6 P C -2.575 174.697 177.300 -0.048 0.000 1.216 6 P CA -1.605 61.485 63.100 -0.016 0.000 0.776 6 P CB -0.214 31.490 31.700 0.006 0.000 0.881 7 P HA 0.024 nan 4.420 nan 0.000 0.261 7 P C -0.169 177.088 177.300 -0.072 0.000 1.203 7 P CA 0.977 64.033 63.100 -0.073 0.000 0.767 7 P CB -0.138 31.537 31.700 -0.041 0.000 0.785 8 H N 0.141 119.075 119.070 -0.227 0.000 2.967 8 H HA 0.600 5.156 4.556 -0.000 0.000 0.318 8 H C -1.775 173.488 175.328 -0.109 0.000 1.375 8 H CA -0.998 54.921 56.048 -0.216 0.000 1.132 8 H CB 1.043 30.501 29.762 -0.506 0.000 1.848 8 H HN 0.213 nan 8.280 nan 0.000 0.524 9 S N 1.440 117.120 115.700 -0.033 0.000 2.789 9 S HA 0.230 4.700 4.470 -0.000 0.000 0.286 9 S C 0.529 175.212 174.600 0.139 0.000 1.153 9 S CA -0.707 57.465 58.200 -0.047 0.000 1.084 9 S CB 0.767 63.944 63.200 -0.038 0.000 1.036 9 S HN 0.548 nan 8.310 nan 0.000 0.484 10 L N 5.244 126.592 121.223 0.208 0.000 2.046 10 L HA 0.098 4.438 4.340 -0.000 0.000 0.208 10 L C 2.101 179.083 176.870 0.187 0.000 1.077 10 L CA 2.063 57.073 54.840 0.284 0.000 0.747 10 L CB -0.389 41.831 42.059 0.269 0.000 0.896 10 L HN 0.799 nan 8.230 nan 0.000 0.432 11 E N -0.727 119.526 120.200 0.088 0.000 2.106 11 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 11 E C 2.145 178.699 176.600 -0.076 0.000 0.984 11 E CA 0.934 57.341 56.400 0.012 0.000 0.806 11 E CB -0.215 29.487 29.700 0.004 0.000 0.750 11 E HN 0.653 nan 8.360 nan 0.000 0.458 12 A N 1.522 124.333 122.820 -0.016 0.000 1.898 12 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 12 A C 1.921 179.471 177.584 -0.058 0.000 1.181 12 A CA 1.303 53.329 52.037 -0.019 0.000 0.620 12 A CB -0.340 18.698 19.000 0.064 0.000 0.819 12 A HN 0.139 nan 8.150 nan 0.000 0.442 13 E N -0.348 119.860 120.200 0.013 0.000 2.051 13 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 13 E C 2.326 178.883 176.600 -0.072 0.000 0.991 13 E CA 1.490 57.933 56.400 0.072 0.000 0.799 13 E CB -0.221 29.657 29.700 0.296 0.000 0.748 13 E HN 0.719 nan 8.360 nan 0.000 0.449 14 Q N 0.270 120.001 119.800 -0.116 0.000 2.050 14 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 14 Q C 2.421 178.301 176.000 -0.200 0.000 0.980 14 Q CA 1.476 57.172 55.803 -0.177 0.000 0.840 14 Q CB -0.039 28.683 28.738 -0.026 0.000 0.898 14 Q HN 0.098 nan 8.270 nan 0.000 0.424 15 S N 0.163 115.689 115.700 -0.290 0.000 2.370 15 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 15 S C 2.115 176.594 174.600 -0.202 0.000 1.033 15 S CA 1.179 59.108 58.200 -0.451 0.000 1.011 15 S CB -0.269 62.138 63.200 -1.321 0.000 0.852 15 S HN 0.149 nan 8.310 nan 0.000 0.457 16 V N 2.295 122.163 119.914 -0.077 0.000 2.237 16 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 16 V C 2.201 178.342 176.094 0.077 0.000 1.046 16 V CA 1.730 64.085 62.300 0.091 0.000 1.007 16 V CB -0.778 31.135 31.823 0.150 0.000 0.638 16 V HN 0.430 nan 8.190 nan 0.000 0.445 17 L N 0.314 121.550 121.223 0.021 0.000 2.083 17 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 17 L C 2.658 179.497 176.870 -0.053 0.000 1.083 17 L CA 1.648 56.471 54.840 -0.029 0.000 0.752 17 L CB -1.276 40.688 42.059 -0.158 0.000 0.899 17 L HN 0.485 nan 8.230 nan 0.000 0.433 18 G N -0.520 108.227 108.800 -0.088 0.000 2.440 18 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 18 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 18 G C 1.729 176.615 174.900 -0.023 0.000 1.154 18 G CA 1.010 46.061 45.100 -0.082 0.000 0.767 18 G HN 0.378 nan 8.290 nan 0.000 0.552 19 S N 0.484 116.197 115.700 0.020 0.000 2.383 19 S HA 0.005 4.475 4.470 -0.000 0.000 0.227 19 S C 2.249 176.883 174.600 0.057 0.000 1.026 19 S CA 0.712 58.953 58.200 0.069 0.000 0.981 19 S CB -0.177 63.105 63.200 0.136 0.000 0.818 19 S HN 0.382 nan 8.310 nan 0.000 0.472 20 I N 1.449 122.053 120.570 0.056 0.000 2.286 20 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 20 I C 1.944 178.070 176.117 0.015 0.000 1.115 20 I CA 1.093 62.422 61.300 0.048 0.000 1.392 20 I CB -0.348 37.690 38.000 0.065 0.000 1.065 20 I HN 0.238 nan 8.210 nan 0.000 0.418 21 L N -0.013 121.208 121.223 -0.003 0.000 2.217 21 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 21 L C 2.369 179.234 176.870 -0.008 0.000 1.107 21 L CA 1.000 55.829 54.840 -0.018 0.000 0.783 21 L CB -0.313 41.721 42.059 -0.042 0.000 0.919 21 L HN 0.286 nan 8.230 nan 0.000 0.442 22 L N -1.112 120.113 121.223 0.004 0.000 2.240 22 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 22 L C 0.190 177.070 176.870 0.016 0.000 1.106 22 L CA 0.563 55.410 54.840 0.012 0.000 0.793 22 L CB 0.042 42.115 42.059 0.024 0.000 0.927 22 L HN 0.188 nan 8.230 nan 0.000 0.446 23 D N -1.851 118.561 120.400 0.021 0.000 2.470 23 D HA 0.063 4.703 4.640 -0.000 0.000 0.233 23 D C 0.473 176.785 176.300 0.020 0.000 1.372 23 D CA -0.072 53.940 54.000 0.020 0.000 0.994 23 D CB 1.505 42.320 40.800 0.025 0.000 1.377 23 D HN -0.239 nan 8.370 nan 0.000 0.586 24 S N 2.526 118.232 115.700 0.010 0.000 2.383 24 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 24 S C 1.196 175.804 174.600 0.012 0.000 1.030 24 S CA 1.554 59.757 58.200 0.006 0.000 1.002 24 S CB 0.004 63.203 63.200 -0.003 0.000 0.829 24 S HN 0.532 nan 8.310 nan 0.000 0.467 25 D N 0.703 121.111 120.400 0.013 0.000 2.190 25 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 25 D C 1.928 178.243 176.300 0.025 0.000 0.992 25 D CA 0.811 54.820 54.000 0.015 0.000 0.854 25 D CB -0.642 40.165 40.800 0.012 0.000 0.936 25 D HN 0.275 nan 8.370 nan 0.000 0.462 26 V N 1.032 120.966 119.914 0.033 0.000 2.688 26 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 26 V C 2.346 178.478 176.094 0.065 0.000 1.084 26 V CA 1.144 63.473 62.300 0.049 0.000 1.103 26 V CB -0.367 31.492 31.823 0.060 0.000 0.688 26 V HN 0.229 nan 8.190 nan 0.000 0.480 27 M N -0.150 119.487 119.600 0.060 0.000 2.279 27 M HA -0.185 4.295 4.480 -0.000 0.000 0.264 27 M C 1.874 178.219 176.300 0.074 0.000 1.062 27 M CA 2.193 57.539 55.300 0.078 0.000 1.099 27 M CB -0.286 32.340 32.600 0.042 0.000 1.394 27 M HN 0.450 nan 8.290 nan 0.000 0.426 28 D N 0.353 120.783 120.400 0.050 0.000 2.106 28 D HA -0.235 4.405 4.640 -0.000 0.000 0.191 28 D C 1.573 177.908 176.300 0.059 0.000 0.997 28 D CA 2.100 56.128 54.000 0.045 0.000 0.834 28 D CB -0.068 40.751 40.800 0.031 0.000 0.956 28 D HN 0.537 nan 8.370 nan 0.000 0.448 29 E N -0.663 119.573 120.200 0.059 0.000 2.107 29 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 29 E C 2.356 179.004 176.600 0.081 0.000 0.982 29 E CA 0.596 57.032 56.400 0.060 0.000 0.809 29 E CB 0.125 29.854 29.700 0.048 0.000 0.756 29 E HN 0.127 nan 8.360 nan 0.000 0.459 30 V N 1.330 121.307 119.914 0.106 0.000 2.407 30 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 30 V C 2.212 178.408 176.094 0.170 0.000 1.055 30 V CA 1.924 64.307 62.300 0.139 0.000 1.049 30 V CB -0.331 31.603 31.823 0.186 0.000 0.662 30 V HN 0.260 nan 8.190 nan 0.000 0.455 31 E N -0.067 120.240 120.200 0.179 0.000 2.204 31 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 31 E C 2.255 178.941 176.600 0.142 0.000 0.989 31 E CA 0.899 57.417 56.400 0.197 0.000 0.824 31 E CB -0.289 29.496 29.700 0.141 0.000 0.756 31 E HN 0.620 nan 8.360 nan 0.000 0.477 32 G N 0.700 109.563 108.800 0.104 0.000 2.418 32 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 32 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 32 G C 1.463 176.415 174.900 0.087 0.000 1.158 32 G CA 0.444 45.594 45.100 0.083 0.000 0.771 32 G HN 0.185 nan 8.290 nan 0.000 0.545 33 L N -0.660 120.614 121.223 0.085 0.000 2.209 33 L HA 0.313 4.653 4.340 -0.000 0.000 0.207 33 L C 0.681 177.601 176.870 0.084 0.000 1.094 33 L CA 0.333 55.217 54.840 0.072 0.000 0.790 33 L CB 0.095 42.181 42.059 0.045 0.000 0.932 33 L HN 0.070 nan 8.230 nan 0.000 0.447 34 L N 0.952 122.232 121.223 0.096 0.000 2.495 34 L HA 0.241 4.581 4.340 -0.000 0.000 0.248 34 L C -1.566 175.420 176.870 0.193 0.000 1.229 34 L CA -1.122 53.757 54.840 0.065 0.000 0.942 34 L CB 1.009 43.001 42.059 -0.112 0.000 1.242 34 L HN -0.156 nan 8.230 nan 0.000 0.484 35 P HA -0.096 nan 4.420 nan 0.000 0.218 35 P C 0.465 177.895 177.300 0.217 0.000 1.149 35 P CA 0.912 64.132 63.100 0.201 0.000 0.817 35 P CB 0.321 32.132 31.700 0.186 0.000 0.785 36 S N -2.235 113.566 115.700 0.169 0.000 2.548 36 S HA 0.491 4.961 4.470 -0.000 0.000 0.286 36 S C -2.275 172.374 174.600 0.082 0.000 1.098 36 S CA -1.648 56.633 58.200 0.135 0.000 0.930 36 S CB 2.067 65.331 63.200 0.107 0.000 1.070 36 S HN -0.219 nan 8.310 nan 0.000 0.480 37 P HA -0.119 nan 4.420 nan 0.000 0.220 37 P C 0.940 178.244 177.300 0.007 0.000 1.144 37 P CA 1.119 64.359 63.100 0.234 0.000 0.800 37 P CB -0.002 31.799 31.700 0.168 0.000 0.772 38 E N -0.085 120.008 120.200 -0.179 0.000 2.267 38 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 38 E C 2.071 178.121 176.600 -0.917 0.000 0.998 38 E CA 0.978 57.178 56.400 -0.334 0.000 0.830 38 E CB -0.376 29.255 29.700 -0.115 0.000 0.751 38 E HN 0.233 nan 8.360 nan 0.000 0.491 39 A N 0.839 122.877 122.820 -1.303 0.000 2.019 39 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 39 A C 0.675 177.822 177.584 -0.727 0.000 1.164 39 A CA 0.744 51.903 52.037 -1.464 0.000 0.644 39 A CB -0.334 18.073 19.000 -0.988 0.000 0.805 39 A HN 0.077 nan 8.150 nan 0.000 0.449 40 F N -1.687 118.031 119.950 -0.386 0.000 2.427 40 F HA 0.338 4.865 4.527 -0.000 0.000 0.352 40 F C 1.090 176.877 175.800 -0.022 0.000 1.100 40 F CA -0.305 57.618 58.000 -0.128 0.000 1.191 40 F CB 0.493 39.448 39.000 -0.076 0.000 1.128 40 F HN 0.263 nan 8.300 nan 0.000 0.533 41 Y N 3.412 123.760 120.300 0.080 0.000 2.206 41 Y HA 0.230 4.780 4.550 -0.000 0.000 0.292 41 Y C 1.322 177.211 175.900 -0.019 0.000 1.123 41 Y CA 0.628 58.734 58.100 0.011 0.000 1.142 41 Y CB -0.410 38.032 38.460 -0.030 0.000 1.006 41 Y HN 0.499 nan 8.280 nan 0.000 0.518 42 A N 0.929 123.736 122.820 -0.022 0.000 2.488 42 A HA 0.064 4.384 4.320 -0.000 0.000 0.249 42 A C 1.307 178.780 177.584 -0.185 0.000 1.083 42 A CA 0.238 52.133 52.037 -0.237 0.000 0.768 42 A CB 0.094 18.831 19.000 -0.438 0.000 1.017 42 A HN 0.522 nan 8.150 nan 0.000 0.496 43 E N 2.583 122.644 120.200 -0.232 0.000 2.110 43 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 43 E C 2.028 178.565 176.600 -0.105 0.000 0.988 43 E CA 2.048 58.356 56.400 -0.152 0.000 0.804 43 E CB -0.243 29.364 29.700 -0.154 0.000 0.745 43 E HN 0.773 nan 8.360 nan 0.000 0.458 44 A N -0.162 122.571 122.820 -0.145 0.000 1.877 44 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 44 A C 1.989 179.597 177.584 0.041 0.000 1.186 44 A CA 1.905 53.896 52.037 -0.077 0.000 0.620 44 A CB -1.020 17.896 19.000 -0.141 0.000 0.822 44 A HN 0.515 nan 8.150 nan 0.000 0.443 45 H N -0.282 118.782 119.070 -0.009 0.000 2.387 45 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 45 H C 2.416 177.584 175.328 -0.267 0.000 1.090 45 H CA 1.343 57.336 56.048 -0.093 0.000 1.332 45 H CB -0.014 29.778 29.762 0.051 0.000 1.386 45 H HN 0.666 nan 8.280 nan 0.000 0.516 46 R N 1.433 121.936 120.500 0.004 0.000 2.115 46 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 46 R C 1.694 177.977 176.300 -0.028 0.000 1.100 46 R CA 1.158 57.243 56.100 -0.024 0.000 0.980 46 R CB -0.135 30.189 30.300 0.041 0.000 0.875 46 R HN 0.204 nan 8.270 nan 0.000 0.445 47 K N 0.895 121.281 120.400 -0.024 0.000 2.097 47 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 47 K C 2.061 178.641 176.600 -0.032 0.000 1.050 47 K CA 1.352 57.625 56.287 -0.023 0.000 0.938 47 K CB -0.126 32.363 32.500 -0.019 0.000 0.718 47 K HN 0.172 nan 8.250 nan 0.000 0.442 48 I N -0.103 120.448 120.570 -0.032 0.000 2.163 48 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 48 I C 2.290 178.351 176.117 -0.093 0.000 1.081 48 I CA 1.253 62.525 61.300 -0.047 0.000 1.353 48 I CB -0.250 37.737 38.000 -0.022 0.000 1.054 48 I HN 0.114 nan 8.210 nan 0.000 0.407 49 Y N 1.580 121.687 120.300 -0.321 0.000 2.274 49 Y HA -0.225 4.325 4.550 -0.000 0.000 0.290 49 Y C 2.484 178.285 175.900 -0.164 0.000 1.145 49 Y CA 1.162 59.059 58.100 -0.339 0.000 1.203 49 Y CB -0.299 37.770 38.460 -0.652 0.000 0.984 49 Y HN 0.125 nan 8.280 nan 0.000 0.533 50 A N -0.038 122.730 122.820 -0.087 0.000 1.930 50 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 50 A C 2.408 179.917 177.584 -0.124 0.000 1.175 50 A CA 1.661 53.641 52.037 -0.094 0.000 0.627 50 A CB -1.317 17.664 19.000 -0.032 0.000 0.815 50 A HN 0.516 nan 8.150 nan 0.000 0.443 51 A N -0.494 122.261 122.820 -0.108 0.000 1.930 51 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 51 A C 2.239 179.748 177.584 -0.125 0.000 1.175 51 A CA 1.666 53.648 52.037 -0.093 0.000 0.627 51 A CB -0.526 18.434 19.000 -0.065 0.000 0.815 51 A HN 0.523 nan 8.150 nan 0.000 0.443 52 M N -0.912 118.580 119.600 -0.180 0.000 2.117 52 M HA -0.228 4.252 4.480 -0.000 0.000 0.262 52 M C 2.431 178.591 176.300 -0.233 0.000 1.065 52 M CA 1.655 56.831 55.300 -0.206 0.000 1.114 52 M CB -0.469 31.972 32.600 -0.266 0.000 1.361 52 M HN 0.484 nan 8.290 nan 0.000 0.408 53 Q N -0.061 119.550 119.800 -0.315 0.000 2.119 53 Q HA -0.106 4.234 4.340 -0.000 0.000 0.201 53 Q C 2.283 178.201 176.000 -0.137 0.000 0.972 53 Q CA 1.493 57.145 55.803 -0.250 0.000 0.847 53 Q CB -0.235 28.340 28.738 -0.272 0.000 0.903 53 Q HN 0.584 nan 8.270 nan 0.000 0.433 54 A N 0.885 123.636 122.820 -0.115 0.000 1.933 54 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 54 A C 2.046 179.592 177.584 -0.063 0.000 1.175 54 A CA 1.096 53.089 52.037 -0.073 0.000 0.628 54 A CB -0.599 18.365 19.000 -0.061 0.000 0.814 54 A HN 0.265 nan 8.150 nan 0.000 0.444 55 L N -1.433 119.746 121.223 -0.074 0.000 2.005 55 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 55 L C 2.781 179.618 176.870 -0.054 0.000 1.072 55 L CA 1.740 56.545 54.840 -0.059 0.000 0.744 55 L CB -0.470 41.551 42.059 -0.062 0.000 0.895 55 L HN 0.423 nan 8.230 nan 0.000 0.433 56 R N -0.230 120.228 120.500 -0.069 0.000 2.117 56 R HA -0.228 4.112 4.340 -0.000 0.000 0.243 56 R C 2.579 178.854 176.300 -0.042 0.000 1.143 56 R CA 1.834 57.900 56.100 -0.056 0.000 0.968 56 R CB -0.283 29.973 30.300 -0.073 0.000 0.863 56 R HN 0.307 nan 8.270 nan 0.000 0.444 57 S N 0.400 116.072 115.700 -0.046 0.000 2.382 57 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 57 S C 1.714 176.300 174.600 -0.024 0.000 1.027 57 S CA 1.498 59.679 58.200 -0.032 0.000 0.991 57 S CB -0.139 63.041 63.200 -0.034 0.000 0.823 57 S HN 0.669 nan 8.310 nan 0.000 0.469 58 Q N -0.362 119.422 119.800 -0.027 0.000 2.365 58 Q HA 0.349 4.689 4.340 -0.000 0.000 0.203 58 Q C 1.282 177.271 176.000 -0.018 0.000 0.929 58 Q CA 0.540 56.331 55.803 -0.021 0.000 0.948 58 Q CB -0.224 28.501 28.738 -0.021 0.000 1.043 58 Q HN 0.635 nan 8.270 nan 0.000 0.505 59 G N 1.366 110.154 108.800 -0.019 0.000 2.179 59 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 59 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 59 G C 0.031 174.921 174.900 -0.017 0.000 0.977 59 G CA 0.028 45.118 45.100 -0.016 0.000 0.641 59 G HN 0.339 nan 8.290 nan 0.000 0.533 60 R N 0.893 121.380 120.500 -0.021 0.000 2.459 60 R HA 0.464 4.804 4.340 -0.000 0.000 0.281 60 R C -2.331 173.954 176.300 -0.024 0.000 1.050 60 R CA -1.553 54.534 56.100 -0.021 0.000 1.055 60 R CB 0.759 31.046 30.300 -0.022 0.000 1.045 60 R HN 0.118 nan 8.270 nan 0.000 0.495 61 P HA 0.071 nan 4.420 nan 0.000 0.274 61 P C -0.822 176.462 177.300 -0.026 0.000 1.231 61 P CA -0.389 62.699 63.100 -0.020 0.000 0.790 61 P CB 0.681 32.373 31.700 -0.014 0.000 0.951 62 V N 3.464 123.362 119.914 -0.028 0.000 2.348 62 V HA 0.377 4.497 4.120 -0.000 0.000 0.270 62 V C 0.272 176.351 176.094 -0.025 0.000 1.037 62 V CA 0.100 62.380 62.300 -0.034 0.000 0.872 62 V CB 0.353 32.150 31.823 -0.043 0.000 1.002 62 V HN 0.755 nan 8.190 nan 0.000 0.464 63 D N 3.842 124.227 120.400 -0.026 0.000 2.752 63 D HA 0.181 4.821 4.640 -0.000 0.000 0.313 63 D C 0.678 176.962 176.300 -0.026 0.000 1.225 63 D CA -0.863 53.123 54.000 -0.023 0.000 0.976 63 D CB 1.644 42.434 40.800 -0.017 0.000 1.443 63 D HN 0.166 nan 8.370 nan 0.000 0.515 64 L N 0.445 121.653 121.223 -0.025 0.000 2.042 64 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 64 L C 2.099 178.957 176.870 -0.021 0.000 1.076 64 L CA 1.779 56.603 54.840 -0.026 0.000 0.749 64 L CB -0.278 41.766 42.059 -0.024 0.000 0.893 64 L HN 0.455 nan 8.230 nan 0.000 0.432 65 V N -0.822 119.082 119.914 -0.017 0.000 2.244 65 V HA -0.286 3.834 4.120 -0.000 0.000 0.244 65 V C 2.638 178.722 176.094 -0.017 0.000 1.042 65 V CA 2.167 64.458 62.300 -0.014 0.000 1.006 65 V CB -1.487 30.329 31.823 -0.012 0.000 0.641 65 V HN 0.724 nan 8.190 nan 0.000 0.446 66 T N -0.331 114.212 114.554 -0.019 0.000 2.720 66 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 66 T C 1.912 176.596 174.700 -0.026 0.000 1.037 66 T CA 1.854 63.940 62.100 -0.022 0.000 1.144 66 T CB -0.575 68.278 68.868 -0.025 0.000 0.864 66 T HN 0.269 nan 8.240 nan 0.000 0.444 67 L N 2.523 123.728 121.223 -0.030 0.000 2.017 67 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 67 L C 2.730 179.585 176.870 -0.024 0.000 1.073 67 L CA 2.327 57.147 54.840 -0.034 0.000 0.745 67 L CB -0.989 41.047 42.059 -0.039 0.000 0.894 67 L HN 0.522 nan 8.230 nan 0.000 0.432 68 S N -1.525 114.165 115.700 -0.018 0.000 2.402 68 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 68 S C 1.775 176.368 174.600 -0.011 0.000 1.021 68 S CA 1.012 59.206 58.200 -0.010 0.000 0.974 68 S CB -0.713 62.484 63.200 -0.006 0.000 0.800 68 S HN 0.616 nan 8.310 nan 0.000 0.484 69 E N 1.211 121.402 120.200 -0.014 0.000 2.033 69 E HA -0.176 4.174 4.350 -0.000 0.000 0.199 69 E C 2.350 178.941 176.600 -0.016 0.000 1.011 69 E CA 1.453 57.845 56.400 -0.014 0.000 0.815 69 E CB -0.157 29.534 29.700 -0.015 0.000 0.755 69 E HN 0.493 nan 8.360 nan 0.000 0.451 70 E N 0.620 120.808 120.200 -0.021 0.000 2.038 70 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 70 E C 2.323 178.910 176.600 -0.021 0.000 1.000 70 E CA 0.874 57.259 56.400 -0.024 0.000 0.803 70 E CB -0.273 29.406 29.700 -0.034 0.000 0.750 70 E HN 0.273 nan 8.360 nan 0.000 0.448 71 L N 1.127 122.338 121.223 -0.019 0.000 2.042 71 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 71 L C 2.654 179.518 176.870 -0.010 0.000 1.076 71 L CA 1.654 56.486 54.840 -0.013 0.000 0.749 71 L CB -0.530 41.526 42.059 -0.006 0.000 0.893 71 L HN 0.136 nan 8.230 nan 0.000 0.432 72 S N -0.496 115.199 115.700 -0.008 0.000 2.387 72 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 72 S C 2.038 176.633 174.600 -0.009 0.000 1.026 72 S CA 0.689 58.884 58.200 -0.007 0.000 0.972 72 S CB -0.493 62.704 63.200 -0.006 0.000 0.814 72 S HN 0.363 nan 8.310 nan 0.000 0.477 73 R N 1.443 121.937 120.500 -0.011 0.000 2.293 73 R HA 0.075 4.415 4.340 -0.000 0.000 0.219 73 R C 1.640 177.933 176.300 -0.012 0.000 1.091 73 R CA 0.821 56.914 56.100 -0.012 0.000 1.004 73 R CB -0.008 30.284 30.300 -0.014 0.000 0.865 73 R HN 0.419 nan 8.270 nan 0.000 0.469 74 R N -1.605 118.887 120.500 -0.013 0.000 2.437 74 R HA 0.158 4.498 4.340 -0.000 0.000 0.257 74 R C 0.527 176.819 176.300 -0.012 0.000 0.927 74 R CA 0.489 56.581 56.100 -0.013 0.000 1.078 74 R CB 1.189 31.479 30.300 -0.016 0.000 1.161 74 R HN 0.308 nan 8.270 nan 0.000 0.529 75 G N 2.559 111.353 108.800 -0.011 0.000 2.198 75 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 75 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 75 G C 0.329 175.223 174.900 -0.011 0.000 1.042 75 G CA 0.750 45.843 45.100 -0.010 0.000 0.791 75 G HN 0.552 nan 8.290 nan 0.000 0.502 76 Q N -1.555 118.239 119.800 -0.010 0.000 2.093 76 Q HA 0.439 4.779 4.340 -0.000 0.000 0.217 76 Q C 1.835 177.833 176.000 -0.003 0.000 0.785 76 Q CA -0.001 55.796 55.803 -0.010 0.000 1.038 76 Q CB 0.101 28.831 28.738 -0.014 0.000 1.190 76 Q HN 0.545 nan 8.270 nan 0.000 0.468 77 L N 1.597 122.820 121.223 0.000 0.000 2.017 77 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 77 L C 2.301 179.180 176.870 0.014 0.000 1.073 77 L CA 2.236 57.082 54.840 0.010 0.000 0.745 77 L CB -0.232 41.831 42.059 0.006 0.000 0.894 77 L HN 0.339 nan 8.230 nan 0.000 0.432 78 E N -0.557 119.646 120.200 0.004 0.000 2.047 78 E HA -0.304 4.046 4.350 -0.000 0.000 0.191 78 E C 2.112 178.707 176.600 -0.008 0.000 0.987 78 E CA 1.259 57.659 56.400 0.001 0.000 0.799 78 E CB -0.146 29.551 29.700 -0.005 0.000 0.752 78 E HN 0.678 nan 8.360 nan 0.000 0.449 79 E N -0.013 120.178 120.200 -0.015 0.000 2.114 79 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 79 E C 1.985 178.563 176.600 -0.037 0.000 1.008 79 E CA 1.651 58.034 56.400 -0.028 0.000 0.810 79 E CB 0.022 29.706 29.700 -0.027 0.000 0.739 79 E HN 0.140 nan 8.360 nan 0.000 0.456 80 V N -0.776 119.131 119.914 -0.012 0.000 2.809 80 V HA -0.001 4.119 4.120 -0.000 0.000 0.256 80 V C 1.552 177.647 176.094 0.002 0.000 1.080 80 V CA 1.427 63.732 62.300 0.008 0.000 1.102 80 V CB 0.377 32.239 31.823 0.065 0.000 0.705 80 V HN 0.664 nan 8.190 nan 0.000 0.475 81 G N -1.868 106.939 108.800 0.011 0.000 2.173 81 G HA2 0.191 4.151 3.960 -0.000 0.000 0.142 81 G HA3 0.191 4.151 3.960 -0.000 0.000 0.142 81 G C 0.602 175.561 174.900 0.097 0.000 1.019 81 G CA -0.116 44.993 45.100 0.016 0.000 0.699 81 G HN 1.423 nan 8.290 nan 0.000 0.495 82 G N -0.781 108.065 108.800 0.077 0.000 2.740 82 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.250 82 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.250 82 G C 1.010 175.958 174.900 0.080 0.000 1.358 82 G CA 0.564 45.702 45.100 0.063 0.000 0.897 82 G HN 1.175 nan 8.290 nan 0.000 0.567 83 T N 1.119 115.700 114.554 0.046 0.000 2.803 83 T HA 0.006 4.356 4.350 -0.000 0.000 0.269 83 T C 2.883 177.607 174.700 0.040 0.000 1.052 83 T CA 2.787 64.906 62.100 0.031 0.000 1.136 83 T CB -0.614 68.264 68.868 0.016 0.000 0.864 83 T HN 1.536 nan 8.240 nan 0.000 0.467 84 A N 0.575 123.430 122.820 0.059 0.000 1.892 84 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 84 A C 2.103 179.756 177.584 0.115 0.000 1.188 84 A CA 1.887 53.968 52.037 0.072 0.000 0.631 84 A CB -0.997 18.047 19.000 0.074 0.000 0.822 84 A HN 0.590 nan 8.150 nan 0.000 0.447 85 Y N 0.247 120.551 120.300 0.007 0.000 2.243 85 Y HA 0.015 4.565 4.550 -0.000 0.000 0.293 85 Y C 1.980 177.889 175.900 0.015 0.000 1.124 85 Y CA 1.197 59.306 58.100 0.016 0.000 1.159 85 Y CB -0.309 38.164 38.460 0.021 0.000 1.008 85 Y HN 0.205 nan 8.280 nan 0.000 0.527 86 L N -0.662 120.522 121.223 -0.065 0.000 2.079 86 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 86 L C 2.323 179.105 176.870 -0.146 0.000 1.081 86 L CA 1.273 56.027 54.840 -0.143 0.000 0.752 86 L CB -0.651 41.380 42.059 -0.048 0.000 0.896 86 L HN 0.266 nan 8.230 nan 0.000 0.433 87 L N -0.846 120.326 121.223 -0.084 0.000 2.072 87 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 87 L C 2.687 179.504 176.870 -0.087 0.000 1.079 87 L CA 0.994 55.795 54.840 -0.065 0.000 0.752 87 L CB -0.392 41.652 42.059 -0.026 0.000 0.906 87 L HN 0.315 nan 8.230 nan 0.000 0.436 88 Q N 0.269 120.011 119.800 -0.097 0.000 2.181 88 Q HA -0.215 4.125 4.340 -0.000 0.000 0.205 88 Q C 2.287 178.182 176.000 -0.176 0.000 0.980 88 Q CA 1.399 57.149 55.803 -0.088 0.000 0.862 88 Q CB 0.015 28.757 28.738 0.008 0.000 0.905 88 Q HN 0.523 nan 8.270 nan 0.000 0.429 89 L N -0.314 120.712 121.223 -0.328 0.000 2.109 89 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 89 L C 2.482 179.250 176.870 -0.171 0.000 1.086 89 L CA 0.898 55.550 54.840 -0.314 0.000 0.760 89 L CB -0.291 41.515 42.059 -0.421 0.000 0.910 89 L HN 0.175 nan 8.230 nan 0.000 0.437 90 S N 0.556 116.176 115.700 -0.134 0.000 2.351 90 S HA -0.244 4.226 4.470 -0.000 0.000 0.220 90 S C 1.565 176.132 174.600 -0.055 0.000 1.035 90 S CA 1.943 60.096 58.200 -0.078 0.000 1.031 90 S CB -0.475 62.689 63.200 -0.059 0.000 0.928 90 S HN 0.609 nan 8.310 nan 0.000 0.433 91 E N 1.514 121.684 120.200 -0.049 0.000 2.512 91 E HA 0.304 4.654 4.350 -0.000 0.000 0.195 91 E C 1.455 178.036 176.600 -0.032 0.000 1.083 91 E CA 0.498 56.880 56.400 -0.030 0.000 0.873 91 E CB -0.162 29.526 29.700 -0.020 0.000 0.897 91 E HN 0.479 nan 8.360 nan 0.000 0.514 92 A N 0.888 123.676 122.820 -0.053 0.000 2.016 92 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 92 A C 1.380 178.930 177.584 -0.056 0.000 1.162 92 A CA 1.004 53.008 52.037 -0.054 0.000 0.662 92 A CB 0.228 19.181 19.000 -0.078 0.000 0.812 92 A HN 0.253 nan 8.150 nan 0.000 0.450 93 T N -1.260 113.266 114.554 -0.047 0.000 2.841 93 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 93 T C -2.295 172.419 174.700 0.023 0.000 1.000 93 T CA -1.646 60.445 62.100 -0.015 0.000 0.977 93 T CB 1.632 70.492 68.868 -0.015 0.000 0.979 93 T HN -0.014 nan 8.240 nan 0.000 0.446 94 P HA 0.131 nan 4.420 nan 0.000 0.222 94 P C 0.448 177.791 177.300 0.071 0.000 1.153 94 P CA 0.668 63.797 63.100 0.048 0.000 0.798 94 P CB 0.146 31.875 31.700 0.048 0.000 0.796 95 T N -5.500 109.125 114.554 0.117 0.000 2.696 95 T HA 0.715 5.065 4.350 -0.000 0.000 0.291 95 T C 0.422 175.216 174.700 0.156 0.000 1.095 95 T CA -0.263 61.913 62.100 0.127 0.000 1.026 95 T CB 1.416 70.377 68.868 0.154 0.000 1.390 95 T HN -0.155 nan 8.240 nan 0.000 0.513 96 A N -0.464 122.431 122.820 0.126 0.000 2.390 96 A HA 0.703 5.023 4.320 -0.000 0.000 0.232 96 A C 2.155 179.813 177.584 0.124 0.000 1.233 96 A CA 0.646 52.763 52.037 0.132 0.000 0.907 96 A CB -0.888 18.162 19.000 0.082 0.000 0.967 96 A HN 1.287 nan 8.150 nan 0.000 0.512 97 A N -1.094 121.771 122.820 0.075 0.000 2.194 97 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 97 A C 1.293 178.695 177.584 -0.303 0.000 1.162 97 A CA 1.304 53.264 52.037 -0.128 0.000 0.674 97 A CB -0.692 18.168 19.000 -0.234 0.000 0.789 97 A HN 0.615 nan 8.150 nan 0.000 0.470 98 Y N -2.067 118.273 120.300 0.066 0.000 2.557 98 Y HA 0.440 4.990 4.550 -0.000 0.000 0.247 98 Y C 2.159 178.124 175.900 0.108 0.000 1.164 98 Y CA -0.276 57.828 58.100 0.008 0.000 1.218 98 Y CB -0.250 38.148 38.460 -0.103 0.000 1.210 98 Y HN 0.253 nan 8.280 nan 0.000 0.529 99 A N 0.716 123.706 122.820 0.282 0.000 1.869 99 A HA -0.324 3.996 4.320 -0.000 0.000 0.218 99 A C 2.086 179.796 177.584 0.210 0.000 1.203 99 A CA 2.444 54.648 52.037 0.279 0.000 0.638 99 A CB -0.556 18.551 19.000 0.177 0.000 0.831 99 A HN 0.525 nan 8.150 nan 0.000 0.450 100 E N -1.774 118.502 120.200 0.127 0.000 2.204 100 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 100 E C 1.808 178.451 176.600 0.073 0.000 0.990 100 E CA 1.209 57.660 56.400 0.086 0.000 0.821 100 E CB -0.152 29.580 29.700 0.054 0.000 0.750 100 E HN 0.877 nan 8.360 nan 0.000 0.477 101 H N -0.927 118.124 119.070 -0.031 0.000 2.326 101 H HA -0.142 4.414 4.556 -0.000 0.000 0.301 101 H C 1.461 176.724 175.328 -0.108 0.000 1.081 101 H CA 2.107 58.090 56.048 -0.108 0.000 1.334 101 H CB -0.288 29.361 29.762 -0.188 0.000 1.385 101 H HN 0.221 nan 8.280 nan 0.000 0.504 102 Y N -0.092 120.212 120.300 0.007 0.000 2.293 102 Y HA -0.084 4.466 4.550 -0.000 0.000 0.291 102 Y C 2.820 178.652 175.900 -0.113 0.000 1.137 102 Y CA 0.552 58.603 58.100 -0.082 0.000 1.202 102 Y CB -0.335 38.149 38.460 0.041 0.000 0.990 102 Y HN 0.411 nan 8.280 nan 0.000 0.537 103 A N 0.599 123.467 122.820 0.080 0.000 1.940 103 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 103 A C 2.292 179.843 177.584 -0.054 0.000 1.176 103 A CA 1.807 53.843 52.037 -0.001 0.000 0.631 103 A CB -0.692 18.332 19.000 0.041 0.000 0.814 103 A HN 0.432 nan 8.150 nan 0.000 0.446 104 R N -0.089 120.369 120.500 -0.070 0.000 2.081 104 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 104 R C 1.959 178.200 176.300 -0.097 0.000 1.131 104 R CA 1.820 57.872 56.100 -0.080 0.000 0.960 104 R CB -0.436 29.808 30.300 -0.094 0.000 0.856 104 R HN 0.562 nan 8.270 nan 0.000 0.436 105 I N 0.615 121.097 120.570 -0.146 0.000 2.179 105 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 105 I C 2.390 178.460 176.117 -0.078 0.000 1.088 105 I CA 1.120 62.353 61.300 -0.113 0.000 1.357 105 I CB -0.302 37.630 38.000 -0.114 0.000 1.051 105 I HN 0.004 nan 8.210 nan 0.000 0.409 106 V N 1.198 121.048 119.914 -0.107 0.000 2.332 106 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 106 V C 2.740 178.768 176.094 -0.110 0.000 1.055 106 V CA 2.039 64.233 62.300 -0.177 0.000 1.038 106 V CB -1.137 30.446 31.823 -0.400 0.000 0.651 106 V HN 0.513 nan 8.190 nan 0.000 0.450 107 A N -0.454 122.328 122.820 -0.064 0.000 1.877 107 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 107 A C 2.214 179.856 177.584 0.097 0.000 1.186 107 A CA 1.830 53.902 52.037 0.058 0.000 0.620 107 A CB -0.442 18.584 19.000 0.043 0.000 0.822 107 A HN 0.610 nan 8.150 nan 0.000 0.443 108 E N -0.178 120.036 120.200 0.025 0.000 2.051 108 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 108 E C 1.995 178.611 176.600 0.026 0.000 0.991 108 E CA 1.109 57.514 56.400 0.010 0.000 0.799 108 E CB -0.137 29.550 29.700 -0.022 0.000 0.748 108 E HN 0.342 nan 8.360 nan 0.000 0.449 109 K N 0.463 120.880 120.400 0.027 0.000 2.074 109 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 109 K C 1.763 178.443 176.600 0.133 0.000 1.048 109 K CA 1.044 57.356 56.287 0.041 0.000 0.926 109 K CB -0.627 31.884 32.500 0.018 0.000 0.713 109 K HN 0.288 nan 8.250 nan 0.000 0.444 110 W N 2.435 123.702 121.300 -0.054 0.000 2.333 110 W HA -0.192 4.468 4.660 -0.000 0.000 0.316 110 W C 2.059 178.568 176.519 -0.018 0.000 1.215 110 W CA 2.171 59.498 57.345 -0.029 0.000 1.278 110 W CB -0.965 28.466 29.460 -0.047 0.000 1.154 110 W HN 0.074 nan 8.180 nan 0.000 0.486 111 T N 1.665 116.189 114.554 -0.049 0.000 2.699 111 T HA -0.280 4.070 4.350 -0.000 0.000 0.268 111 T C 2.025 176.646 174.700 -0.132 0.000 1.036 111 T CA 2.171 64.154 62.100 -0.194 0.000 1.147 111 T CB -0.795 68.003 68.868 -0.116 0.000 0.862 111 T HN 0.163 nan 8.240 nan 0.000 0.446 112 L N 0.177 121.369 121.223 -0.052 0.000 2.012 112 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 112 L C 2.989 179.844 176.870 -0.025 0.000 1.073 112 L CA 1.479 56.297 54.840 -0.037 0.000 0.748 112 L CB -0.518 41.529 42.059 -0.020 0.000 0.891 112 L HN 0.155 nan 8.230 nan 0.000 0.431 113 R N -0.182 120.328 120.500 0.017 0.000 2.105 113 R HA -0.142 4.198 4.340 -0.000 0.000 0.239 113 R C 2.450 178.751 176.300 0.001 0.000 1.135 113 R CA 1.292 57.428 56.100 0.060 0.000 0.967 113 R CB -0.165 30.254 30.300 0.199 0.000 0.861 113 R HN 0.399 nan 8.270 nan 0.000 0.442 114 R N 0.126 120.551 120.500 -0.125 0.000 2.115 114 R HA -0.096 4.244 4.340 -0.000 0.000 0.226 114 R C 2.248 178.480 176.300 -0.114 0.000 1.100 114 R CA 0.762 56.751 56.100 -0.185 0.000 0.980 114 R CB -0.398 29.649 30.300 -0.422 0.000 0.875 114 R HN 0.145 nan 8.270 nan 0.000 0.445 115 L N 1.371 122.535 121.223 -0.098 0.000 2.027 115 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 115 L C 2.052 178.901 176.870 -0.034 0.000 1.074 115 L CA 1.534 56.334 54.840 -0.066 0.000 0.745 115 L CB -0.317 41.706 42.059 -0.060 0.000 0.898 115 L HN 0.039 nan 8.230 nan 0.000 0.433 116 I N -0.583 119.976 120.570 -0.019 0.000 2.208 116 I HA -0.352 3.818 4.170 -0.000 0.000 0.245 116 I C 2.656 178.779 176.117 0.010 0.000 1.097 116 I CA 1.791 63.092 61.300 0.003 0.000 1.363 116 I CB -0.363 37.647 38.000 0.017 0.000 1.051 116 I HN 0.510 nan 8.210 nan 0.000 0.413 117 Q N 0.817 120.623 119.800 0.010 0.000 2.046 117 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 117 Q C 2.364 178.368 176.000 0.007 0.000 0.975 117 Q CA 1.846 57.660 55.803 0.018 0.000 0.836 117 Q CB -0.118 28.635 28.738 0.026 0.000 0.896 117 Q HN 0.548 nan 8.270 nan 0.000 0.428 118 A N 0.636 123.448 122.820 -0.013 0.000 1.978 118 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 118 A C 2.195 179.776 177.584 -0.005 0.000 1.170 118 A CA 1.687 53.714 52.037 -0.015 0.000 0.636 118 A CB -0.775 18.204 19.000 -0.035 0.000 0.810 118 A HN 0.551 nan 8.150 nan 0.000 0.448 119 A N -0.474 122.344 122.820 -0.003 0.000 1.872 119 A HA 0.195 4.515 4.320 -0.000 0.000 0.214 119 A C 2.457 180.055 177.584 0.022 0.000 1.187 119 A CA 1.732 53.773 52.037 0.005 0.000 0.614 119 A CB -1.470 17.533 19.000 0.004 0.000 0.826 119 A HN 0.760 nan 8.150 nan 0.000 0.442 120 G N -0.361 108.456 108.800 0.028 0.000 2.505 120 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 120 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 120 G C 1.427 176.356 174.900 0.049 0.000 1.145 120 G CA 1.270 46.395 45.100 0.043 0.000 0.761 120 G HN 0.653 nan 8.290 nan 0.000 0.571 121 E N 0.231 120.452 120.200 0.034 0.000 2.106 121 E HA 0.071 4.421 4.350 -0.000 0.000 0.192 121 E C 2.915 179.536 176.600 0.034 0.000 0.984 121 E CA 0.675 57.095 56.400 0.033 0.000 0.806 121 E CB -0.160 29.553 29.700 0.022 0.000 0.750 121 E HN 0.418 nan 8.360 nan 0.000 0.458 122 A N 0.829 123.663 122.820 0.024 0.000 1.902 122 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 122 A C 2.141 179.738 177.584 0.021 0.000 1.181 122 A CA 1.376 53.421 52.037 0.013 0.000 0.623 122 A CB -0.430 18.570 19.000 0.001 0.000 0.818 122 A HN 0.158 nan 8.150 nan 0.000 0.443 123 M N -1.388 118.242 119.600 0.050 0.000 2.065 123 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 123 M C 2.450 178.868 176.300 0.197 0.000 1.069 123 M CA 2.059 57.420 55.300 0.101 0.000 1.110 123 M CB -0.350 32.358 32.600 0.180 0.000 1.328 123 M HN 0.524 nan 8.290 nan 0.000 0.405 124 R N 0.916 121.517 120.500 0.169 0.000 2.096 124 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 124 R C 1.969 178.342 176.300 0.121 0.000 1.139 124 R CA 1.649 57.842 56.100 0.155 0.000 0.952 124 R CB -0.483 29.868 30.300 0.084 0.000 0.854 124 R HN 0.376 nan 8.270 nan 0.000 0.436 125 L N 0.063 121.328 121.223 0.069 0.000 2.083 125 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 125 L C 2.692 179.578 176.870 0.027 0.000 1.083 125 L CA 1.346 56.211 54.840 0.040 0.000 0.752 125 L CB -0.474 41.597 42.059 0.019 0.000 0.899 125 L HN 0.371 nan 8.230 nan 0.000 0.433 126 A N -1.031 121.789 122.820 -0.000 0.000 1.874 126 A HA -0.172 4.148 4.320 -0.000 0.000 0.214 126 A C 2.033 179.579 177.584 -0.062 0.000 1.189 126 A CA 0.879 52.875 52.037 -0.068 0.000 0.615 126 A CB -0.775 18.132 19.000 -0.155 0.000 0.830 126 A HN 0.316 nan 8.150 nan 0.000 0.443 127 Y N 0.473 120.774 120.300 0.002 0.000 2.207 127 Y HA -0.199 4.351 4.550 -0.000 0.000 0.287 127 Y C 2.275 178.176 175.900 0.003 0.000 1.156 127 Y CA 1.787 59.888 58.100 0.002 0.000 1.182 127 Y CB 0.028 38.490 38.460 0.003 0.000 0.979 127 Y HN 0.407 nan 8.280 nan 0.000 0.521 128 E N -0.058 120.237 120.200 0.159 0.000 2.489 128 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 128 E C -0.336 176.296 176.600 0.054 0.000 1.057 128 E CA 0.168 56.623 56.400 0.091 0.000 0.866 128 E CB 0.077 29.820 29.700 0.072 0.000 0.916 128 E HN 0.387 nan 8.360 nan 0.000 0.500 129 E N -0.209 120.015 120.200 0.040 0.000 2.246 129 E HA -0.254 4.096 4.350 -0.000 0.000 0.173 129 E C 0.430 177.041 176.600 0.018 0.000 1.532 129 E CA 0.108 56.519 56.400 0.018 0.000 0.672 129 E CB -0.837 28.872 29.700 0.015 0.000 1.078 129 E HN 0.378 nan 8.360 nan 0.000 0.338 130 A N 0.776 123.607 122.820 0.018 0.000 2.248 130 A HA 0.271 4.591 4.320 -0.000 0.000 0.210 130 A C 1.092 178.682 177.584 0.010 0.000 1.174 130 A CA 1.403 53.450 52.037 0.016 0.000 0.750 130 A CB 0.290 19.301 19.000 0.018 0.000 0.780 130 A HN 0.709 nan 8.150 nan 0.000 0.478 131 G N -1.620 107.184 108.800 0.007 0.000 2.356 131 G HA2 0.411 4.371 3.960 -0.000 0.000 0.281 131 G HA3 0.411 4.371 3.960 -0.000 0.000 0.281 131 G C -0.190 174.711 174.900 0.002 0.000 1.246 131 G CA 0.040 45.143 45.100 0.005 0.000 0.889 131 G HN 0.834 nan 8.290 nan 0.000 0.486 132 S N -0.539 115.161 115.700 0.000 0.000 2.596 132 S HA 0.374 4.844 4.470 -0.000 0.000 0.260 132 S C 1.621 176.218 174.600 -0.005 0.000 1.336 132 S CA -0.105 58.094 58.200 -0.002 0.000 0.993 132 S CB 0.987 64.186 63.200 -0.001 0.000 0.923 132 S HN 0.688 nan 8.310 nan 0.000 0.567 133 L N 0.493 121.711 121.223 -0.007 0.000 1.970 133 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 133 L C 2.239 179.104 176.870 -0.009 0.000 1.071 133 L CA 2.075 56.908 54.840 -0.011 0.000 0.751 133 L CB -0.846 41.206 42.059 -0.012 0.000 0.889 133 L HN 0.717 nan 8.230 nan 0.000 0.432 134 D N -0.086 120.310 120.400 -0.007 0.000 2.154 134 D HA -0.261 4.379 4.640 -0.000 0.000 0.190 134 D C 2.031 178.328 176.300 -0.005 0.000 1.003 134 D CA 1.622 55.619 54.000 -0.005 0.000 0.849 134 D CB -0.257 40.541 40.800 -0.003 0.000 0.942 134 D HN 0.426 nan 8.370 nan 0.000 0.446 135 E N -0.147 120.052 120.200 -0.003 0.000 2.077 135 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 135 E C 2.409 179.007 176.600 -0.003 0.000 0.989 135 E CA 0.487 56.886 56.400 -0.002 0.000 0.800 135 E CB -0.058 29.642 29.700 0.000 0.000 0.746 135 E HN 0.338 nan 8.360 nan 0.000 0.452 136 I N 0.758 121.325 120.570 -0.005 0.000 2.202 136 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 136 I C 2.290 178.400 176.117 -0.011 0.000 1.091 136 I CA 0.934 62.229 61.300 -0.008 0.000 1.368 136 I CB -0.159 37.834 38.000 -0.012 0.000 1.058 136 I HN 0.093 nan 8.210 nan 0.000 0.410 137 L N 0.067 121.282 121.223 -0.013 0.000 2.017 137 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 137 L C 2.419 179.282 176.870 -0.011 0.000 1.073 137 L CA 1.461 56.293 54.840 -0.014 0.000 0.745 137 L CB -0.787 41.263 42.059 -0.015 0.000 0.894 137 L HN 0.359 nan 8.230 nan 0.000 0.432 138 D N -0.249 120.146 120.400 -0.008 0.000 2.104 138 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 138 D C 1.866 178.162 176.300 -0.007 0.000 0.994 138 D CA 2.111 56.107 54.000 -0.007 0.000 0.830 138 D CB 0.234 41.032 40.800 -0.004 0.000 0.959 138 D HN 0.298 nan 8.370 nan 0.000 0.452 139 T N 0.570 115.121 114.554 -0.005 0.000 2.777 139 T HA -0.032 4.318 4.350 -0.000 0.000 0.266 139 T C 2.061 176.757 174.700 -0.006 0.000 1.040 139 T CA 1.444 63.542 62.100 -0.004 0.000 1.141 139 T CB -0.364 68.503 68.868 -0.001 0.000 0.868 139 T HN 0.259 nan 8.240 nan 0.000 0.444 140 A N 1.573 124.388 122.820 -0.008 0.000 1.908 140 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 140 A C 2.614 180.190 177.584 -0.013 0.000 1.181 140 A CA 1.984 54.015 52.037 -0.010 0.000 0.627 140 A CB -1.448 17.544 19.000 -0.013 0.000 0.818 140 A HN 0.512 nan 8.150 nan 0.000 0.445 141 G N -0.441 108.351 108.800 -0.013 0.000 2.433 141 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 141 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 141 G C 1.686 176.576 174.900 -0.016 0.000 1.186 141 G CA 1.123 46.214 45.100 -0.015 0.000 0.779 141 G HN 0.571 nan 8.290 nan 0.000 0.543 142 K N 0.376 120.768 120.400 -0.014 0.000 2.097 142 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 142 K C 2.568 179.157 176.600 -0.019 0.000 1.049 142 K CA 1.127 57.405 56.287 -0.015 0.000 0.933 142 K CB -0.107 32.387 32.500 -0.011 0.000 0.717 142 K HN 0.209 nan 8.250 nan 0.000 0.442 143 K N 0.420 120.809 120.400 -0.017 0.000 2.057 143 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 143 K C 1.930 178.512 176.600 -0.031 0.000 1.049 143 K CA 1.036 57.310 56.287 -0.021 0.000 0.931 143 K CB -0.013 32.478 32.500 -0.014 0.000 0.714 143 K HN 0.107 nan 8.250 nan 0.000 0.440 144 I N 0.574 121.127 120.570 -0.028 0.000 2.500 144 I HA -0.147 4.023 4.170 -0.000 0.000 0.252 144 I C 2.137 178.231 176.117 -0.038 0.000 1.142 144 I CA 0.747 62.027 61.300 -0.034 0.000 1.451 144 I CB -0.819 37.165 38.000 -0.028 0.000 1.093 144 I HN 0.090 nan 8.210 nan 0.000 0.430 145 L N 1.177 122.381 121.223 -0.032 0.000 2.141 145 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 145 L C 2.378 179.225 176.870 -0.038 0.000 1.094 145 L CA 1.622 56.443 54.840 -0.032 0.000 0.763 145 L CB -0.637 41.407 42.059 -0.025 0.000 0.908 145 L HN 0.228 nan 8.230 nan 0.000 0.437 146 E N -1.545 118.631 120.200 -0.041 0.000 2.150 146 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 146 E C 2.149 178.706 176.600 -0.072 0.000 0.985 146 E CA 1.162 57.532 56.400 -0.049 0.000 0.814 146 E CB -0.022 29.650 29.700 -0.047 0.000 0.752 146 E HN 0.326 nan 8.360 nan 0.000 0.466 147 V N 1.267 121.132 119.914 -0.080 0.000 2.358 147 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 147 V C 2.310 178.346 176.094 -0.095 0.000 1.047 147 V CA 1.764 63.998 62.300 -0.109 0.000 1.035 147 V CB -0.635 31.124 31.823 -0.107 0.000 0.658 147 V HN 0.302 nan 8.190 nan 0.000 0.452 148 A N -0.231 122.548 122.820 -0.069 0.000 2.015 148 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 148 A C 1.717 179.270 177.584 -0.051 0.000 1.163 148 A CA 1.196 53.199 52.037 -0.057 0.000 0.646 148 A CB -0.376 18.597 19.000 -0.045 0.000 0.806 148 A HN 0.553 nan 8.150 nan 0.000 0.448 149 L N -0.373 120.820 121.223 -0.050 0.000 3.094 149 L HA 0.271 4.611 4.340 -0.000 0.000 0.254 149 L C 0.337 177.182 176.870 -0.042 0.000 1.298 149 L CA -0.020 54.796 54.840 -0.040 0.000 1.050 149 L CB 0.200 42.240 42.059 -0.032 0.000 1.420 149 L HN 0.169 nan 8.230 nan 0.000 0.548 150 T N -2.365 112.155 114.554 -0.057 0.000 3.191 150 T HA 0.063 4.413 4.350 -0.000 0.000 0.285 150 T C 0.324 174.987 174.700 -0.062 0.000 0.887 150 T CA -0.456 61.609 62.100 -0.059 0.000 0.881 150 T CB 0.516 69.331 68.868 -0.089 0.000 1.217 150 T HN 0.216 nan 8.240 nan 0.000 0.591 151 K N 1.903 122.265 120.400 -0.064 0.000 2.144 151 K HA 0.550 4.870 4.320 -0.000 0.000 0.270 151 K C -0.301 176.287 176.600 -0.020 0.000 1.005 151 K CA -0.261 55.995 56.287 -0.051 0.000 0.932 151 K CB -0.064 32.398 32.500 -0.063 0.000 1.021 151 K HN -0.222 nan 8.250 nan 0.000 0.462 152 T N 3.362 117.915 114.554 -0.001 0.000 2.792 152 T HA -0.035 4.315 4.350 -0.000 0.000 0.286 152 T C -0.407 174.291 174.700 -0.003 0.000 0.970 152 T CA 0.129 62.233 62.100 0.008 0.000 1.187 152 T CB -0.306 68.574 68.868 0.019 0.000 0.915 152 T HN 0.483 nan 8.240 nan 0.000 0.529 153 D N 3.532 123.930 120.400 -0.003 0.000 2.458 153 D HA 0.031 4.671 4.640 -0.000 0.000 0.243 153 D C 0.447 176.744 176.300 -0.005 0.000 1.146 153 D CA 0.368 54.363 54.000 -0.007 0.000 0.877 153 D CB 0.707 41.502 40.800 -0.007 0.000 1.176 153 D HN 0.389 nan 8.370 nan 0.000 0.461 154 T N 2.881 117.430 114.554 -0.009 0.000 2.853 154 T HA 0.038 4.388 4.350 -0.000 0.000 0.298 154 T C 1.418 176.115 174.700 -0.004 0.000 0.978 154 T CA -0.093 62.003 62.100 -0.007 0.000 1.152 154 T CB 1.189 70.051 68.868 -0.010 0.000 0.914 154 T HN 0.304 nan 8.240 nan 0.000 0.539 155 E N 1.593 121.792 120.200 -0.001 0.000 2.127 155 E HA 0.203 4.553 4.350 -0.000 0.000 0.191 155 E C 0.796 177.396 176.600 -0.000 0.000 0.964 155 E CA 0.074 56.474 56.400 -0.000 0.000 0.832 155 E CB 0.374 30.075 29.700 0.002 0.000 0.790 155 E HN 0.648 nan 8.360 nan 0.000 0.465 156 A N 1.813 124.634 122.820 0.001 0.000 2.273 156 A HA 0.416 4.736 4.320 -0.000 0.000 0.315 156 A C -0.589 176.997 177.584 0.003 0.000 1.256 156 A CA -0.524 51.514 52.037 0.002 0.000 0.851 156 A CB 0.426 19.428 19.000 0.004 0.000 1.172 156 A HN 0.025 nan 8.150 nan 0.000 0.508 157 R N 2.635 123.136 120.500 0.003 0.000 2.389 157 R HA 0.359 4.699 4.340 -0.000 0.000 0.295 157 R C -2.400 173.905 176.300 0.009 0.000 1.075 157 R CA -1.218 54.885 56.100 0.004 0.000 1.005 157 R CB 0.136 30.439 30.300 0.004 0.000 0.987 157 R HN 0.463 nan 8.270 nan 0.000 0.452 158 P HA 0.003 nan 4.420 nan 0.000 0.271 158 P C 0.364 177.680 177.300 0.027 0.000 1.218 158 P CA -0.354 62.755 63.100 0.016 0.000 0.780 158 P CB 0.591 32.299 31.700 0.013 0.000 0.901 159 M N 3.107 122.724 119.600 0.028 0.000 2.108 159 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 159 M C 2.059 178.394 176.300 0.059 0.000 1.066 159 M CA 1.792 57.113 55.300 0.035 0.000 1.107 159 M CB -0.764 31.851 32.600 0.025 0.000 1.356 159 M HN 0.300 nan 8.290 nan 0.000 0.406 160 R N -0.214 120.329 120.500 0.071 0.000 2.096 160 R HA -0.258 4.082 4.340 -0.000 0.000 0.240 160 R C 2.218 178.668 176.300 0.251 0.000 1.139 160 R CA 2.323 58.505 56.100 0.138 0.000 0.952 160 R CB -0.625 29.737 30.300 0.103 0.000 0.854 160 R HN 0.691 nan 8.270 nan 0.000 0.436 161 E N 0.266 120.538 120.200 0.120 0.000 2.077 161 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 161 E C 2.138 178.810 176.600 0.121 0.000 0.989 161 E CA 1.197 57.647 56.400 0.083 0.000 0.800 161 E CB -0.082 29.627 29.700 0.014 0.000 0.746 161 E HN 0.454 nan 8.360 nan 0.000 0.452 162 L N 0.333 121.611 121.223 0.091 0.000 2.093 162 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 162 L C 2.535 179.460 176.870 0.091 0.000 1.085 162 L CA 0.553 55.436 54.840 0.072 0.000 0.755 162 L CB -0.198 41.887 42.059 0.044 0.000 0.904 162 L HN 0.094 nan 8.230 nan 0.000 0.435 163 V N -0.723 119.247 119.914 0.092 0.000 2.343 163 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 163 V C 2.332 178.467 176.094 0.070 0.000 1.051 163 V CA 1.843 64.175 62.300 0.053 0.000 1.036 163 V CB -0.753 31.055 31.823 -0.026 0.000 0.654 163 V HN 0.438 nan 8.190 nan 0.000 0.451 164 H N -0.024 119.084 119.070 0.064 0.000 2.352 164 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 164 H C 2.405 177.813 175.328 0.132 0.000 1.097 164 H CA 1.989 58.091 56.048 0.090 0.000 1.311 164 H CB 0.023 29.811 29.762 0.044 0.000 1.377 164 H HN 0.496 nan 8.280 nan 0.000 0.504 165 E N -0.397 119.927 120.200 0.205 0.000 2.015 165 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 165 E C 2.169 178.856 176.600 0.144 0.000 0.991 165 E CA 1.663 58.144 56.400 0.136 0.000 0.802 165 E CB -0.023 29.719 29.700 0.070 0.000 0.759 165 E HN 0.429 nan 8.360 nan 0.000 0.447 166 T N 1.150 115.783 114.554 0.132 0.000 2.737 166 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 166 T C 1.521 176.333 174.700 0.188 0.000 1.040 166 T CA 1.215 63.404 62.100 0.147 0.000 1.142 166 T CB -0.395 68.540 68.868 0.112 0.000 0.861 166 T HN 0.153 nan 8.240 nan 0.000 0.456 167 F N 1.894 121.868 119.950 0.039 0.000 2.113 167 F HA -0.038 4.489 4.527 -0.000 0.000 0.297 167 F C 2.262 178.083 175.800 0.034 0.000 1.103 167 F CA 1.289 59.296 58.000 0.012 0.000 1.248 167 F CB -0.244 38.727 39.000 -0.047 0.000 0.999 167 F HN 0.146 nan 8.300 nan 0.000 0.475 168 E N -1.472 118.798 120.200 0.117 0.000 2.268 168 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 168 E C 1.749 178.351 176.600 0.004 0.000 0.995 168 E CA 1.027 57.443 56.400 0.026 0.000 0.836 168 E CB -0.281 29.490 29.700 0.119 0.000 0.763 168 E HN 0.517 nan 8.360 nan 0.000 0.491 169 H N 0.621 119.657 119.070 -0.058 0.000 2.428 169 H HA 0.043 4.599 4.556 -0.000 0.000 0.296 169 H C 1.020 176.290 175.328 -0.097 0.000 1.062 169 H CA 0.746 56.761 56.048 -0.054 0.000 1.350 169 H CB 0.188 29.938 29.762 -0.020 0.000 1.403 169 H HN 0.110 nan 8.280 nan 0.000 0.533 186 G N 0.455 109.158 108.800 -0.161 0.000 4.044 186 G HA2 0.196 4.156 3.960 -0.000 0.000 0.189 186 G HA3 0.196 4.156 3.960 -0.000 0.000 0.189 186 G C -0.513 174.162 174.900 -0.374 0.000 0.838 186 G CA -0.189 44.714 45.100 -0.327 0.000 0.876 186 G HN 0.531 nan 8.290 nan 0.000 0.419 187 F N 3.260 123.193 119.950 -0.028 0.000 2.368 187 F HA 0.439 4.966 4.527 -0.000 0.000 0.362 187 F C 1.602 177.417 175.800 0.025 0.000 1.137 187 F CA -0.430 57.578 58.000 0.014 0.000 1.161 187 F CB 1.402 40.430 39.000 0.046 0.000 1.265 187 F HN -0.080 nan 8.300 nan 0.000 0.530 188 K N 2.137 122.626 120.400 0.149 0.000 2.127 188 K HA -0.277 4.043 4.320 -0.000 0.000 0.208 188 K C 1.830 178.494 176.600 0.107 0.000 1.047 188 K CA 2.294 58.639 56.287 0.097 0.000 0.927 188 K CB -0.095 32.446 32.500 0.069 0.000 0.716 188 K HN 0.740 nan 8.250 nan 0.000 0.450 189 E N 0.888 121.170 120.200 0.137 0.000 2.072 189 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 189 E C 2.119 178.781 176.600 0.102 0.000 0.982 189 E CA 0.847 57.311 56.400 0.107 0.000 0.803 189 E CB -0.320 29.443 29.700 0.105 0.000 0.755 189 E HN 0.148 nan 8.360 nan 0.000 0.453 190 L N 1.810 123.118 121.223 0.143 0.000 2.109 190 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 190 L C 1.239 178.176 176.870 0.111 0.000 1.086 190 L CA 1.824 56.740 54.840 0.126 0.000 0.760 190 L CB -0.116 42.047 42.059 0.174 0.000 0.910 190 L HN -0.074 nan 8.230 nan 0.000 0.437 191 D N -0.936 119.535 120.400 0.119 0.000 2.264 191 D HA -0.196 4.444 4.640 -0.000 0.000 0.208 191 D C 1.988 178.320 176.300 0.054 0.000 0.966 191 D CA 0.809 54.856 54.000 0.078 0.000 0.864 191 D CB -0.004 40.834 40.800 0.063 0.000 0.933 191 D HN 0.531 nan 8.370 nan 0.000 0.499 192 Q N -0.109 119.725 119.800 0.055 0.000 2.083 192 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 192 Q C 1.967 177.988 176.000 0.035 0.000 0.969 192 Q CA 0.754 56.582 55.803 0.041 0.000 0.838 192 Q CB -0.021 28.741 28.738 0.041 0.000 0.900 192 Q HN 0.247 nan 8.270 nan 0.000 0.436 193 L N 0.313 121.560 121.223 0.040 0.000 2.095 193 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 193 L C 1.949 178.835 176.870 0.027 0.000 1.080 193 L CA 1.276 56.135 54.840 0.031 0.000 0.759 193 L CB -0.214 41.864 42.059 0.030 0.000 0.914 193 L HN 0.256 nan 8.230 nan 0.000 0.439 194 I N -0.408 120.183 120.570 0.035 0.000 2.494 194 I HA 0.261 4.431 4.170 -0.000 0.000 0.250 194 I C 1.556 177.689 176.117 0.026 0.000 1.112 194 I CA 1.072 62.391 61.300 0.031 0.000 1.438 194 I CB -1.868 36.158 38.000 0.044 0.000 1.111 194 I HN 0.365 nan 8.210 nan 0.000 0.431 195 G N 0.951 109.768 108.800 0.030 0.000 2.693 195 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 195 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 195 G C 0.188 175.101 174.900 0.021 0.000 1.354 195 G CA -0.020 45.094 45.100 0.022 0.000 0.873 195 G HN 0.381 nan 8.290 nan 0.000 0.562 196 T N -0.085 114.477 114.554 0.014 0.000 2.932 196 T HA 0.405 4.755 4.350 -0.000 0.000 0.312 196 T C 1.073 175.780 174.700 0.012 0.000 1.071 196 T CA 0.014 62.120 62.100 0.010 0.000 1.128 196 T CB -0.094 68.777 68.868 0.005 0.000 0.984 196 T HN 0.749 nan 8.240 nan 0.000 0.549 197 L N 5.108 126.337 121.223 0.011 0.000 2.433 197 L HA 0.299 4.639 4.340 -0.000 0.000 0.284 197 L C 1.596 178.473 176.870 0.012 0.000 1.120 197 L CA -0.673 54.175 54.840 0.014 0.000 0.879 197 L CB -0.233 41.835 42.059 0.014 0.000 1.232 197 L HN 0.869 nan 8.230 nan 0.000 0.454 198 G N 5.090 113.897 108.800 0.012 0.000 2.568 198 G HA2 0.067 4.027 3.960 -0.000 0.000 0.231 198 G HA3 0.067 4.027 3.960 -0.000 0.000 0.231 198 G C -2.369 172.540 174.900 0.015 0.000 1.261 198 G CA -0.687 44.420 45.100 0.012 0.000 0.855 198 G HN 0.389 nan 8.290 nan 0.000 0.576 199 P HA 0.219 nan 4.420 nan 0.000 0.276 199 P C 0.677 177.994 177.300 0.028 0.000 1.243 199 P CA 0.986 64.098 63.100 0.020 0.000 0.768 199 P CB 1.026 32.736 31.700 0.015 0.000 0.856 200 G N 2.089 110.908 108.800 0.032 0.000 2.182 200 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 200 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 200 G C 0.092 175.006 174.900 0.025 0.000 1.042 200 G CA 0.195 45.316 45.100 0.035 0.000 0.775 200 G HN 0.840 nan 8.290 nan 0.000 0.501 201 S N -1.174 114.539 115.700 0.021 0.000 2.593 201 S HA 0.816 5.286 4.470 -0.000 0.000 0.297 201 S C -0.381 174.227 174.600 0.014 0.000 1.112 201 S CA -0.971 57.238 58.200 0.015 0.000 1.043 201 S CB 2.678 65.886 63.200 0.013 0.000 1.054 201 S HN 1.399 nan 8.310 nan 0.000 0.516 202 L N 2.616 123.844 121.223 0.009 0.000 2.280 202 L HA 0.555 4.895 4.340 -0.000 0.000 0.287 202 L C -1.154 175.718 176.870 0.003 0.000 1.023 202 L CA -0.310 54.535 54.840 0.009 0.000 0.819 202 L CB 0.749 42.811 42.059 0.005 0.000 1.212 202 L HN 0.778 nan 8.230 nan 0.000 0.420 203 N N 6.575 125.280 118.700 0.008 0.000 2.342 203 N HA 0.512 5.252 4.740 -0.000 0.000 0.293 203 N C -1.153 174.356 175.510 -0.002 0.000 1.026 203 N CA -0.400 52.649 53.050 -0.001 0.000 0.857 203 N CB 2.531 41.025 38.487 0.013 0.000 1.256 203 N HN 0.497 nan 8.380 nan 0.000 0.484 204 I N 2.231 122.779 120.570 -0.037 0.000 2.433 204 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 204 I C -0.255 175.807 176.117 -0.092 0.000 1.001 204 I CA -0.659 60.614 61.300 -0.047 0.000 1.119 204 I CB 1.830 39.798 38.000 -0.054 0.000 1.289 204 I HN 0.317 nan 8.210 nan 0.000 0.438 205 I N 6.272 126.817 120.570 -0.042 0.000 2.371 205 I HA 0.477 4.647 4.170 -0.000 0.000 0.282 205 I C 0.083 176.170 176.117 -0.050 0.000 1.031 205 I CA -0.271 60.989 61.300 -0.066 0.000 1.180 205 I CB 1.240 39.264 38.000 0.039 0.000 1.336 205 I HN 0.559 nan 8.210 nan 0.000 0.467 206 A N 5.357 128.134 122.820 -0.071 0.000 2.324 206 A HA 0.976 5.296 4.320 -0.000 0.000 0.330 206 A C -0.357 177.298 177.584 0.119 0.000 1.165 206 A CA -0.318 51.758 52.037 0.064 0.000 0.813 206 A CB 1.346 20.463 19.000 0.196 0.000 1.197 206 A HN 0.796 nan 8.150 nan 0.000 0.484 207 A N 1.359 124.205 122.820 0.043 0.000 2.608 207 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 207 A C -0.524 177.021 177.584 -0.064 0.000 1.066 207 A CA -0.788 51.245 52.037 -0.007 0.000 0.676 207 A CB 0.761 19.719 19.000 -0.070 0.000 1.277 207 A HN 1.056 nan 8.150 nan 0.000 0.413 208 R N 1.150 121.590 120.500 -0.099 0.000 2.543 208 R HA 0.484 4.824 4.340 -0.000 0.000 0.277 208 R C -2.468 173.728 176.300 -0.174 0.000 1.074 208 R CA -1.331 54.697 56.100 -0.120 0.000 1.076 208 R CB 0.053 30.288 30.300 -0.109 0.000 0.993 208 R HN 0.488 nan 8.270 nan 0.000 0.459 209 P HA -0.105 nan 4.420 nan 0.000 0.263 209 P C -0.631 176.654 177.300 -0.026 0.000 1.162 209 P CA 1.392 64.455 63.100 -0.062 0.000 0.758 209 P CB 0.282 31.984 31.700 0.003 0.000 0.773 210 A N 3.100 125.921 122.820 0.003 0.000 2.846 210 A HA -0.201 4.119 4.320 -0.000 0.000 0.287 210 A C 1.047 178.616 177.584 -0.025 0.000 1.469 210 A CA 1.172 53.251 52.037 0.070 0.000 0.757 210 A CB -2.385 16.723 19.000 0.179 0.000 1.033 210 A HN 0.502 nan 8.150 nan 0.000 0.516 211 M N -1.730 117.777 119.600 -0.154 0.000 2.421 211 M HA 0.266 4.746 4.480 -0.000 0.000 0.258 211 M C 1.582 177.759 176.300 -0.205 0.000 1.122 211 M CA 1.630 56.760 55.300 -0.283 0.000 1.078 211 M CB 0.252 32.657 32.600 -0.325 0.000 1.380 211 M HN 1.782 nan 8.290 nan 0.000 0.499 212 G N 0.751 109.557 108.800 0.009 0.000 2.151 212 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.140 212 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.140 212 G C 0.870 175.957 174.900 0.312 0.000 1.020 212 G CA 0.212 45.486 45.100 0.291 0.000 0.688 212 G HN 0.317 nan 8.290 nan 0.000 0.500 213 K N -0.121 120.358 120.400 0.131 0.000 2.000 213 K HA -0.143 4.177 4.320 -0.000 0.000 0.218 213 K C 2.636 179.361 176.600 0.207 0.000 1.053 213 K CA 2.327 58.682 56.287 0.113 0.000 0.946 213 K CB -0.344 32.183 32.500 0.046 0.000 0.723 213 K HN 0.340 nan 8.250 nan 0.000 0.446 214 T N 0.874 115.549 114.554 0.201 0.000 2.684 214 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 214 T C 1.930 176.777 174.700 0.245 0.000 1.036 214 T CA 1.442 63.664 62.100 0.204 0.000 1.148 214 T CB -0.382 68.596 68.868 0.184 0.000 0.863 214 T HN 0.384 nan 8.240 nan 0.000 0.436 215 A N 1.178 124.205 122.820 0.345 0.000 1.892 215 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 215 A C 2.040 179.905 177.584 0.469 0.000 1.188 215 A CA 1.766 54.080 52.037 0.462 0.000 0.631 215 A CB -1.104 18.305 19.000 0.683 0.000 0.822 215 A HN 0.470 nan 8.150 nan 0.000 0.447 216 F N 0.783 120.838 119.950 0.174 0.000 2.075 216 F HA -0.076 4.451 4.527 -0.000 0.000 0.297 216 F C 2.617 178.416 175.800 -0.001 0.000 1.113 216 F CA 1.368 59.220 58.000 -0.246 0.000 1.218 216 F CB -0.656 37.980 39.000 -0.606 0.000 0.984 216 F HN 0.264 nan 8.300 nan 0.000 0.472 217 A N 0.711 123.599 122.820 0.112 0.000 1.873 217 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 217 A C 2.312 179.887 177.584 -0.016 0.000 1.193 217 A CA 2.080 54.139 52.037 0.035 0.000 0.629 217 A CB -1.376 17.696 19.000 0.120 0.000 0.826 217 A HN 0.508 nan 8.150 nan 0.000 0.447 218 L N -0.528 120.723 121.223 0.047 0.000 2.191 218 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 218 L C 2.724 179.588 176.870 -0.009 0.000 1.103 218 L CA 1.593 56.451 54.840 0.031 0.000 0.769 218 L CB -0.858 41.245 42.059 0.072 0.000 0.908 218 L HN 0.417 nan 8.230 nan 0.000 0.438 219 T N 0.221 114.770 114.554 -0.008 0.000 2.708 219 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 219 T C 1.903 176.482 174.700 -0.202 0.000 1.037 219 T CA 1.365 63.431 62.100 -0.057 0.000 1.146 219 T CB -0.227 68.679 68.868 0.063 0.000 0.865 219 T HN 0.212 nan 8.240 nan 0.000 0.435 220 I N 1.776 122.194 120.570 -0.254 0.000 2.163 220 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 220 I C 3.023 179.044 176.117 -0.160 0.000 1.085 220 I CA 1.196 62.342 61.300 -0.257 0.000 1.347 220 I CB -0.658 37.204 38.000 -0.230 0.000 1.044 220 I HN 0.191 nan 8.210 nan 0.000 0.408 221 A N 0.330 123.086 122.820 -0.107 0.000 1.948 221 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 221 A C 2.292 179.826 177.584 -0.083 0.000 1.177 221 A CA 1.821 53.815 52.037 -0.072 0.000 0.636 221 A CB -0.595 18.378 19.000 -0.044 0.000 0.815 221 A HN 0.526 nan 8.150 nan 0.000 0.449 222 Q N -0.240 119.503 119.800 -0.094 0.000 2.020 222 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 222 Q C 1.592 177.527 176.000 -0.108 0.000 0.974 222 Q CA 1.359 57.106 55.803 -0.093 0.000 0.829 222 Q CB -0.341 28.348 28.738 -0.082 0.000 0.894 222 Q HN 1.012 nan 8.270 nan 0.000 0.433 223 N N -0.381 118.232 118.700 -0.144 0.000 2.501 223 N HA 0.059 4.799 4.740 -0.000 0.000 0.195 223 N C 1.069 176.505 175.510 -0.123 0.000 1.213 223 N CA 0.407 53.369 53.050 -0.147 0.000 0.864 223 N CB 0.287 38.651 38.487 -0.205 0.000 0.999 223 N HN 0.061 nan 8.380 nan 0.000 0.454 224 A N 0.285 123.042 122.820 -0.105 0.000 2.055 224 A HA 0.484 4.804 4.320 -0.000 0.000 0.205 224 A C 2.221 179.770 177.584 -0.059 0.000 1.235 224 A CA 0.515 52.506 52.037 -0.076 0.000 0.822 224 A CB -0.049 18.910 19.000 -0.067 0.000 0.903 224 A HN 0.376 nan 8.150 nan 0.000 0.473 225 A N -0.307 122.473 122.820 -0.066 0.000 1.911 225 A HA 0.310 4.630 4.320 -0.000 0.000 0.212 225 A C 2.007 179.553 177.584 -0.063 0.000 1.189 225 A CA 0.986 52.986 52.037 -0.062 0.000 0.639 225 A CB -0.375 18.575 19.000 -0.082 0.000 0.839 225 A HN 0.360 nan 8.150 nan 0.000 0.449 226 L N -0.990 120.191 121.223 -0.070 0.000 2.145 226 L HA 0.011 4.351 4.340 -0.000 0.000 0.201 226 L C 2.489 179.324 176.870 -0.058 0.000 1.075 226 L CA 1.126 55.927 54.840 -0.065 0.000 0.773 226 L CB -0.226 41.792 42.059 -0.070 0.000 0.936 226 L HN 0.249 nan 8.230 nan 0.000 0.451 227 K N -0.618 119.742 120.400 -0.066 0.000 2.099 227 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 227 K C 2.048 178.618 176.600 -0.050 0.000 1.047 227 K CA 0.598 56.849 56.287 -0.061 0.000 0.963 227 K CB 0.150 32.605 32.500 -0.075 0.000 0.759 227 K HN 0.106 nan 8.250 nan 0.000 0.451 228 E N -0.461 119.708 120.200 -0.052 0.000 2.076 228 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 228 E C 1.427 178.009 176.600 -0.030 0.000 0.979 228 E CA 1.304 57.680 56.400 -0.039 0.000 0.807 228 E CB 0.349 30.025 29.700 -0.040 0.000 0.761 228 E HN 0.535 nan 8.360 nan 0.000 0.454 229 G N 0.747 109.529 108.800 -0.031 0.000 2.259 229 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 229 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 229 G C 0.600 175.493 174.900 -0.011 0.000 1.001 229 G CA 0.274 45.361 45.100 -0.022 0.000 0.627 229 G HN 0.269 nan 8.290 nan 0.000 0.501 230 V N 0.699 120.607 119.914 -0.009 0.000 2.715 230 V HA 0.700 4.820 4.120 -0.000 0.000 0.299 230 V C 1.156 177.260 176.094 0.016 0.000 1.054 230 V CA -0.050 62.254 62.300 0.006 0.000 1.077 230 V CB 1.064 32.889 31.823 0.003 0.000 0.972 230 V HN 1.331 nan 8.190 nan 0.000 0.484 231 G N 2.683 111.515 108.800 0.052 0.000 2.432 231 G HA2 0.534 4.494 3.960 -0.000 0.000 0.257 231 G HA3 0.534 4.494 3.960 -0.000 0.000 0.257 231 G C -0.280 174.674 174.900 0.091 0.000 1.238 231 G CA 0.126 45.288 45.100 0.104 0.000 0.838 231 G HN 1.898 nan 8.290 nan 0.000 0.547 232 V N 0.472 120.435 119.914 0.081 0.000 2.680 232 V HA 0.951 5.071 4.120 -0.000 0.000 0.309 232 V C 0.262 176.413 176.094 0.095 0.000 1.052 232 V CA -0.420 61.916 62.300 0.059 0.000 0.908 232 V CB 1.734 33.559 31.823 0.004 0.000 1.001 232 V HN 1.035 nan 8.190 nan 0.000 0.431 233 G N 5.101 113.935 108.800 0.057 0.000 2.372 233 G HA2 0.682 4.642 3.960 -0.000 0.000 0.323 233 G HA3 0.682 4.642 3.960 -0.000 0.000 0.323 233 G C -0.838 173.999 174.900 -0.106 0.000 1.152 233 G CA -0.646 44.438 45.100 -0.026 0.000 0.906 233 G HN 0.699 nan 8.290 nan 0.000 0.460 234 I N 2.259 122.713 120.570 -0.194 0.000 2.382 234 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 234 I C -1.061 174.895 176.117 -0.268 0.000 1.002 234 I CA -1.328 59.890 61.300 -0.137 0.000 1.135 234 I CB 1.310 39.279 38.000 -0.052 0.000 1.288 234 I HN 0.439 nan 8.210 nan 0.000 0.448 235 Y N 3.566 123.888 120.300 0.037 0.000 2.595 235 Y HA 0.144 4.694 4.550 -0.000 0.000 0.347 235 Y C 1.271 177.182 175.900 0.019 0.000 1.025 235 Y CA -0.080 58.034 58.100 0.024 0.000 1.295 235 Y CB 0.979 39.448 38.460 0.014 0.000 1.147 235 Y HN 0.555 nan 8.280 nan 0.000 0.515 236 S N 4.946 120.703 115.700 0.095 0.000 3.483 236 S HA 0.205 4.675 4.470 -0.000 0.000 0.274 236 S C 0.987 175.618 174.600 0.053 0.000 1.289 236 S CA -0.435 57.807 58.200 0.069 0.000 0.938 236 S CB -0.423 62.804 63.200 0.045 0.000 1.453 236 S HN 0.792 nan 8.310 nan 0.000 0.494 237 L N 2.674 123.913 121.223 0.026 0.000 2.395 237 L HA 0.108 4.448 4.340 -0.000 0.000 0.218 237 L C 2.505 179.329 176.870 -0.077 0.000 1.130 237 L CA 0.721 55.537 54.840 -0.041 0.000 0.826 237 L CB -0.181 41.809 42.059 -0.114 0.000 0.941 237 L HN 0.581 nan 8.230 nan 0.000 0.451 238 E N 0.956 121.132 120.200 -0.040 0.000 2.086 238 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 238 E C 0.718 177.346 176.600 0.046 0.000 0.975 238 E CA 0.507 56.912 56.400 0.008 0.000 0.813 238 E CB 0.415 30.196 29.700 0.136 0.000 0.768 238 E HN 0.388 nan 8.360 nan 0.000 0.457 239 M N -0.780 118.851 119.600 0.050 0.000 2.569 239 M HA 0.555 5.035 4.480 -0.000 0.000 0.279 239 M C -2.830 173.493 176.300 0.039 0.000 1.253 239 M CA -2.351 52.978 55.300 0.048 0.000 0.867 239 M CB 2.192 34.829 32.600 0.062 0.000 1.727 239 M HN -0.359 nan 8.290 nan 0.000 0.467 240 P HA 0.045 nan 4.420 nan 0.000 0.266 240 P C 0.302 177.617 177.300 0.026 0.000 1.186 240 P CA 0.419 63.536 63.100 0.028 0.000 0.767 240 P CB 0.483 32.198 31.700 0.025 0.000 0.820 241 A N 3.489 126.321 122.820 0.020 0.000 1.978 241 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 241 A C 2.131 179.722 177.584 0.012 0.000 1.170 241 A CA 2.158 54.203 52.037 0.013 0.000 0.636 241 A CB -1.520 17.484 19.000 0.006 0.000 0.810 241 A HN 0.566 nan 8.150 nan 0.000 0.448 242 A N -0.881 121.947 122.820 0.014 0.000 1.877 242 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 242 A C 2.138 179.733 177.584 0.019 0.000 1.186 242 A CA 1.644 53.689 52.037 0.014 0.000 0.620 242 A CB -0.558 18.451 19.000 0.015 0.000 0.822 242 A HN 0.632 nan 8.150 nan 0.000 0.443 243 Q N -1.365 118.450 119.800 0.026 0.000 2.167 243 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 243 Q C 2.024 178.047 176.000 0.038 0.000 0.970 243 Q CA 1.306 57.129 55.803 0.033 0.000 0.855 243 Q CB -0.201 28.559 28.738 0.038 0.000 0.911 243 Q HN 0.581 nan 8.270 nan 0.000 0.438 244 L N -0.027 121.218 121.223 0.037 0.000 2.156 244 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 244 L C 2.068 178.956 176.870 0.031 0.000 1.095 244 L CA 1.551 56.416 54.840 0.042 0.000 0.770 244 L CB -0.289 41.794 42.059 0.040 0.000 0.914 244 L HN 0.089 nan 8.230 nan 0.000 0.439 245 T N -0.570 113.994 114.554 0.017 0.000 2.732 245 T HA -0.146 4.204 4.350 -0.000 0.000 0.261 245 T C 1.748 176.454 174.700 0.009 0.000 1.040 245 T CA 1.474 63.577 62.100 0.005 0.000 1.145 245 T CB -0.359 68.505 68.868 -0.007 0.000 0.866 245 T HN 0.253 nan 8.240 nan 0.000 0.427 246 L N 1.462 122.694 121.223 0.015 0.000 2.012 246 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 246 L C 2.459 179.346 176.870 0.028 0.000 1.073 246 L CA 1.814 56.665 54.840 0.019 0.000 0.748 246 L CB -0.568 41.506 42.059 0.025 0.000 0.891 246 L HN -0.009 nan 8.230 nan 0.000 0.431 247 R N -0.536 119.987 120.500 0.039 0.000 2.096 247 R HA -0.243 4.097 4.340 -0.000 0.000 0.240 247 R C 2.418 178.751 176.300 0.053 0.000 1.139 247 R CA 2.539 58.672 56.100 0.054 0.000 0.952 247 R CB -0.653 29.686 30.300 0.066 0.000 0.854 247 R HN 0.606 nan 8.270 nan 0.000 0.436 248 M N -0.950 118.675 119.600 0.043 0.000 2.132 248 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 248 M C 1.838 178.148 176.300 0.015 0.000 1.065 248 M CA 1.751 57.073 55.300 0.036 0.000 1.122 248 M CB 0.004 32.617 32.600 0.022 0.000 1.365 248 M HN 0.201 nan 8.290 nan 0.000 0.411 249 M N -0.591 119.010 119.600 0.001 0.000 2.175 249 M HA -0.205 4.275 4.480 -0.000 0.000 0.264 249 M C 2.239 178.527 176.300 -0.019 0.000 1.063 249 M CA 1.251 56.540 55.300 -0.019 0.000 1.119 249 M CB -0.552 32.033 32.600 -0.026 0.000 1.377 249 M HN 0.475 nan 8.290 nan 0.000 0.415 250 C N -0.671 118.630 119.300 0.003 0.000 2.435 250 C HA -0.095 4.365 4.460 -0.000 0.000 0.279 250 C C 3.202 178.197 174.990 0.008 0.000 1.321 250 C CA 1.250 60.275 59.018 0.012 0.000 1.752 250 C CB -0.876 26.891 27.740 0.044 0.000 1.959 250 C HN 0.608 nan 8.230 nan 0.000 0.500 251 S N 0.573 116.288 115.700 0.024 0.000 2.348 251 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 251 S C 1.903 176.484 174.600 -0.031 0.000 1.033 251 S CA 1.548 59.764 58.200 0.028 0.000 1.010 251 S CB -0.227 63.013 63.200 0.067 0.000 0.891 251 S HN 0.588 nan 8.310 nan 0.000 0.442 252 E N 1.119 121.301 120.200 -0.031 0.000 2.150 252 E HA 0.049 4.399 4.350 -0.000 0.000 0.193 252 E C 1.857 178.398 176.600 -0.097 0.000 0.985 252 E CA 1.024 57.392 56.400 -0.054 0.000 0.814 252 E CB -0.502 29.173 29.700 -0.043 0.000 0.752 252 E HN 0.579 nan 8.360 nan 0.000 0.466 253 A N 0.935 123.692 122.820 -0.105 0.000 2.337 253 A HA 0.115 4.435 4.320 -0.000 0.000 0.227 253 A C 0.062 177.527 177.584 -0.198 0.000 1.259 253 A CA -0.262 51.698 52.037 -0.128 0.000 0.870 253 A CB -0.263 18.676 19.000 -0.101 0.000 0.927 253 A HN 0.073 nan 8.150 nan 0.000 0.497 254 R N -1.135 119.180 120.500 -0.308 0.000 3.188 254 R HA -0.165 4.175 4.340 -0.000 0.000 0.247 254 R C -0.952 174.970 176.300 -0.629 0.000 0.918 254 R CA 1.002 56.674 56.100 -0.714 0.000 0.629 254 R CB -2.379 27.541 30.300 -0.633 0.000 1.087 254 R HN 0.570 nan 8.270 nan 0.000 0.462 255 I N -0.384 120.062 120.570 -0.207 0.000 2.498 255 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 255 I C 0.065 176.352 176.117 0.283 0.000 1.032 255 I CA -1.179 60.170 61.300 0.082 0.000 1.073 255 I CB 1.960 39.978 38.000 0.030 0.000 1.251 255 I HN 0.042 nan 8.210 nan 0.000 0.426 256 D N 5.685 126.232 120.400 0.243 0.000 2.350 256 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 256 D C 1.088 177.421 176.300 0.056 0.000 1.119 256 D CA -0.181 53.866 54.000 0.077 0.000 0.886 256 D CB 1.074 41.856 40.800 -0.030 0.000 1.195 256 D HN 0.346 nan 8.370 nan 0.000 0.437 257 M N 2.051 121.673 119.600 0.038 0.000 2.413 257 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 257 M C 0.376 176.694 176.300 0.029 0.000 1.081 257 M CA 1.167 56.488 55.300 0.036 0.000 1.047 257 M CB -1.210 31.408 32.600 0.031 0.000 1.390 257 M HN 0.472 nan 8.290 nan 0.000 0.438 270 F N 3.007 122.944 119.950 -0.022 0.000 2.335 270 F HA 0.080 4.607 4.527 -0.000 0.000 0.296 270 F C 2.178 177.965 175.800 -0.022 0.000 1.091 270 F CA 1.637 59.626 58.000 -0.020 0.000 1.399 270 F CB 0.236 39.227 39.000 -0.015 0.000 1.067 270 F HN 0.024 nan 8.300 nan 0.000 0.520 271 S N -0.026 115.622 115.700 -0.086 0.000 2.489 271 S HA -0.104 4.366 4.470 -0.000 0.000 0.228 271 S C 2.120 176.621 174.600 -0.166 0.000 0.995 271 S CA 0.479 58.576 58.200 -0.172 0.000 0.934 271 S CB -0.688 62.489 63.200 -0.038 0.000 0.771 271 S HN 0.528 nan 8.310 nan 0.000 0.522 272 R N 0.227 120.653 120.500 -0.123 0.000 2.189 272 R HA 0.143 4.483 4.340 -0.000 0.000 0.218 272 R C 2.053 178.265 176.300 -0.146 0.000 1.074 272 R CA 0.811 56.843 56.100 -0.112 0.000 0.991 272 R CB -0.253 29.996 30.300 -0.085 0.000 0.883 272 R HN 0.476 nan 8.270 nan 0.000 0.457 273 L N -0.183 120.914 121.223 -0.209 0.000 2.162 273 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 273 L C 1.879 178.592 176.870 -0.261 0.000 1.086 273 L CA 0.959 55.664 54.840 -0.225 0.000 0.778 273 L CB 0.025 41.926 42.059 -0.263 0.000 0.928 273 L HN -0.085 nan 8.230 nan 0.000 0.446 274 V N 1.010 120.709 119.914 -0.358 0.000 2.332 274 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 274 V C 2.316 178.308 176.094 -0.170 0.000 1.055 274 V CA 1.952 64.077 62.300 -0.291 0.000 1.038 274 V CB -1.027 30.611 31.823 -0.308 0.000 0.651 274 V HN 0.719 nan 8.190 nan 0.000 0.450 275 D N -0.095 120.218 120.400 -0.144 0.000 2.224 275 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 275 D C 1.835 178.080 176.300 -0.092 0.000 0.965 275 D CA 1.124 55.063 54.000 -0.101 0.000 0.852 275 D CB -0.449 40.300 40.800 -0.084 0.000 0.947 275 D HN 0.315 nan 8.370 nan 0.000 0.494 276 V N 0.700 120.552 119.914 -0.102 0.000 2.591 276 V HA -0.016 4.104 4.120 -0.000 0.000 0.249 276 V C 2.705 178.749 176.094 -0.085 0.000 1.053 276 V CA 1.318 63.565 62.300 -0.088 0.000 1.068 276 V CB -0.614 31.157 31.823 -0.087 0.000 0.689 276 V HN 0.385 nan 8.190 nan 0.000 0.462 277 A N 0.993 123.754 122.820 -0.098 0.000 1.858 277 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 277 A C 2.433 179.972 177.584 -0.074 0.000 1.190 277 A CA 2.176 54.161 52.037 -0.088 0.000 0.617 277 A CB -0.751 18.186 19.000 -0.104 0.000 0.827 277 A HN 0.660 nan 8.150 nan 0.000 0.443 278 S N -1.347 114.308 115.700 -0.075 0.000 2.607 278 S HA 0.045 4.515 4.470 -0.000 0.000 0.224 278 S C 1.725 176.289 174.600 -0.059 0.000 0.969 278 S CA 0.812 58.976 58.200 -0.062 0.000 0.927 278 S CB -0.098 63.068 63.200 -0.058 0.000 0.772 278 S HN 0.593 nan 8.310 nan 0.000 0.533 279 R N -0.157 120.305 120.500 -0.064 0.000 2.103 279 R HA 0.329 4.669 4.340 -0.000 0.000 0.212 279 R C 2.067 178.328 176.300 -0.064 0.000 1.107 279 R CA 0.420 56.484 56.100 -0.061 0.000 1.025 279 R CB -0.267 29.996 30.300 -0.062 0.000 0.929 279 R HN 0.404 nan 8.270 nan 0.000 0.456 280 L N 1.077 122.260 121.223 -0.068 0.000 2.156 280 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 280 L C 1.884 178.706 176.870 -0.080 0.000 1.095 280 L CA 1.804 56.600 54.840 -0.072 0.000 0.770 280 L CB -0.191 41.828 42.059 -0.068 0.000 0.914 280 L HN 0.202 nan 8.230 nan 0.000 0.439 281 S N -1.795 113.862 115.700 -0.072 0.000 2.547 281 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 281 S C 1.596 176.151 174.600 -0.074 0.000 0.980 281 S CA 0.657 58.814 58.200 -0.072 0.000 0.941 281 S CB -0.473 62.692 63.200 -0.058 0.000 0.763 281 S HN 0.512 nan 8.310 nan 0.000 0.532 282 E N 1.853 122.010 120.200 -0.071 0.000 2.170 282 E HA 0.249 4.599 4.350 -0.000 0.000 0.191 282 E C 1.074 177.625 176.600 -0.082 0.000 0.981 282 E CA 0.556 56.916 56.400 -0.065 0.000 0.830 282 E CB -0.413 29.254 29.700 -0.055 0.000 0.775 282 E HN 0.674 nan 8.360 nan 0.000 0.470 283 A N 3.508 126.268 122.820 -0.100 0.000 2.511 283 A HA 0.122 4.442 4.320 -0.000 0.000 0.242 283 A C -1.887 175.583 177.584 -0.190 0.000 1.069 283 A CA -0.781 51.183 52.037 -0.122 0.000 0.763 283 A CB -0.163 18.765 19.000 -0.120 0.000 1.001 283 A HN -0.088 nan 8.150 nan 0.000 0.498 284 P HA 0.298 nan 4.420 nan 0.000 0.220 284 P C -0.789 176.216 177.300 -0.492 0.000 1.806 284 P CA 0.325 63.246 63.100 -0.299 0.000 0.976 284 P CB -0.449 31.223 31.700 -0.047 0.000 1.952 285 I N 1.733 121.949 120.570 -0.591 0.000 2.412 285 I HA 0.344 4.514 4.170 -0.000 0.000 0.296 285 I C -0.238 175.458 176.117 -0.703 0.000 0.987 285 I CA -1.074 59.947 61.300 -0.465 0.000 1.180 285 I CB 1.209 39.071 38.000 -0.229 0.000 1.340 285 I HN 0.039 nan 8.210 nan 0.000 0.455 286 Y N 5.817 126.071 120.300 -0.077 0.000 2.361 286 Y HA 0.590 5.140 4.550 -0.000 0.000 0.337 286 Y C -0.225 175.591 175.900 -0.140 0.000 0.965 286 Y CA -0.711 57.333 58.100 -0.095 0.000 1.091 286 Y CB 1.521 39.925 38.460 -0.094 0.000 1.182 286 Y HN 0.285 nan 8.280 nan 0.000 0.450 287 I N 3.151 123.719 120.570 -0.003 0.000 2.441 287 I HA 0.295 4.465 4.170 -0.000 0.000 0.295 287 I C -0.864 175.207 176.117 -0.075 0.000 0.994 287 I CA -0.707 60.552 61.300 -0.068 0.000 1.144 287 I CB 1.719 39.694 38.000 -0.041 0.000 1.314 287 I HN 0.553 nan 8.210 nan 0.000 0.445 288 D N 4.725 125.040 120.400 -0.142 0.000 2.381 288 D HA 0.172 4.812 4.640 -0.000 0.000 0.235 288 D C 0.247 176.564 176.300 0.027 0.000 1.068 288 D CA -0.238 53.727 54.000 -0.058 0.000 0.832 288 D CB 1.741 42.487 40.800 -0.090 0.000 1.101 288 D HN 0.419 nan 8.370 nan 0.000 0.515 289 D N 0.998 121.419 120.400 0.036 0.000 2.149 289 D HA -0.070 4.570 4.640 -0.000 0.000 0.201 289 D C 0.156 176.489 176.300 0.055 0.000 0.972 289 D CA 0.838 54.862 54.000 0.041 0.000 0.835 289 D CB -0.083 40.735 40.800 0.029 0.000 0.966 289 D HN 0.432 nan 8.370 nan 0.000 0.476 290 T N 3.504 118.097 114.554 0.066 0.000 2.517 290 T HA -0.034 4.316 4.350 -0.000 0.000 0.229 290 T C -2.350 172.376 174.700 0.043 0.000 1.039 290 T CA -0.497 61.637 62.100 0.056 0.000 1.186 290 T CB 0.248 69.158 68.868 0.070 0.000 1.016 290 T HN 0.069 nan 8.240 nan 0.000 0.475 291 P HA 0.277 nan 4.420 nan 0.000 0.276 291 P C -0.247 177.047 177.300 -0.009 0.000 1.252 291 P CA -0.650 62.451 63.100 0.002 0.000 0.802 291 P CB 0.193 31.893 31.700 0.000 0.000 1.035 292 D N -0.735 119.649 120.400 -0.027 0.000 3.025 292 D HA -0.222 4.418 4.640 -0.000 0.000 0.201 292 D C -0.772 175.509 176.300 -0.032 0.000 1.267 292 D CA 0.697 54.677 54.000 -0.035 0.000 0.736 292 D CB -1.716 39.067 40.800 -0.029 0.000 0.883 292 D HN 0.204 nan 8.370 nan 0.000 0.388 293 L N 0.744 121.942 121.223 -0.042 0.000 2.349 293 L HA 0.354 4.694 4.340 -0.000 0.000 0.275 293 L C 1.430 178.259 176.870 -0.069 0.000 1.115 293 L CA -0.474 54.331 54.840 -0.058 0.000 0.820 293 L CB 0.925 42.931 42.059 -0.089 0.000 1.135 293 L HN 0.442 nan 8.230 nan 0.000 0.445 294 T N -0.535 113.981 114.554 -0.064 0.000 2.874 294 T HA 0.187 4.537 4.350 -0.000 0.000 0.281 294 T C 0.955 175.608 174.700 -0.079 0.000 0.994 294 T CA -0.840 61.225 62.100 -0.059 0.000 1.015 294 T CB 1.432 70.274 68.868 -0.043 0.000 1.028 294 T HN 0.468 nan 8.240 nan 0.000 0.523 295 L N 0.978 122.162 121.223 -0.066 0.000 2.013 295 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 295 L C 2.508 179.332 176.870 -0.076 0.000 1.073 295 L CA 1.881 56.678 54.840 -0.072 0.000 0.753 295 L CB -0.929 41.101 42.059 -0.049 0.000 0.890 295 L HN 0.718 nan 8.230 nan 0.000 0.432 296 M N -0.599 118.966 119.600 -0.058 0.000 2.163 296 M HA -0.305 4.175 4.480 -0.000 0.000 0.258 296 M C 2.251 178.514 176.300 -0.062 0.000 1.071 296 M CA 2.358 57.627 55.300 -0.051 0.000 1.093 296 M CB -1.054 31.522 32.600 -0.040 0.000 1.285 296 M HN 0.402 nan 8.290 nan 0.000 0.420 297 E N -0.516 119.643 120.200 -0.068 0.000 2.051 297 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 297 E C 2.006 178.535 176.600 -0.118 0.000 0.991 297 E CA 1.415 57.773 56.400 -0.072 0.000 0.799 297 E CB -0.172 29.492 29.700 -0.060 0.000 0.748 297 E HN 0.284 nan 8.360 nan 0.000 0.449 298 V N 1.266 121.063 119.914 -0.195 0.000 2.332 298 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 298 V C 2.293 178.256 176.094 -0.218 0.000 1.055 298 V CA 1.795 63.882 62.300 -0.355 0.000 1.038 298 V CB -0.538 31.041 31.823 -0.407 0.000 0.651 298 V HN 0.221 nan 8.190 nan 0.000 0.450 299 R N -0.075 120.349 120.500 -0.127 0.000 2.097 299 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 299 R C 2.491 178.766 176.300 -0.043 0.000 1.135 299 R CA 1.845 57.903 56.100 -0.070 0.000 0.934 299 R CB -0.787 29.482 30.300 -0.052 0.000 0.846 299 R HN 0.541 nan 8.270 nan 0.000 0.431 300 A N 1.160 123.956 122.820 -0.040 0.000 1.865 300 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 300 A C 2.191 179.777 177.584 0.003 0.000 1.191 300 A CA 1.628 53.655 52.037 -0.018 0.000 0.623 300 A CB -0.497 18.492 19.000 -0.019 0.000 0.826 300 A HN 0.285 nan 8.150 nan 0.000 0.444 301 R N -0.670 119.837 120.500 0.012 0.000 2.073 301 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 301 R C 2.530 178.911 176.300 0.134 0.000 1.134 301 R CA 1.366 57.517 56.100 0.085 0.000 0.952 301 R CB -0.506 29.887 30.300 0.154 0.000 0.850 301 R HN 0.522 nan 8.270 nan 0.000 0.433 302 A N 1.090 123.994 122.820 0.139 0.000 1.898 302 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 302 A C 2.080 179.704 177.584 0.067 0.000 1.181 302 A CA 1.169 53.302 52.037 0.160 0.000 0.620 302 A CB -0.412 18.671 19.000 0.138 0.000 0.819 302 A HN 0.208 nan 8.150 nan 0.000 0.442 303 R N -0.241 120.279 120.500 0.033 0.000 2.112 303 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 303 R C 2.211 178.516 176.300 0.009 0.000 1.137 303 R CA 2.038 58.147 56.100 0.015 0.000 0.944 303 R CB -0.393 29.910 30.300 0.005 0.000 0.857 303 R HN 0.752 nan 8.270 nan 0.000 0.435 304 R N 0.631 121.136 120.500 0.009 0.000 2.319 304 R HA 0.006 4.346 4.340 -0.000 0.000 0.204 304 R C 1.557 177.841 176.300 -0.027 0.000 0.954 304 R CA 0.531 56.626 56.100 -0.008 0.000 1.066 304 R CB 0.003 30.299 30.300 -0.007 0.000 0.991 304 R HN 0.165 nan 8.270 nan 0.000 0.486 305 L N -0.078 121.134 121.223 -0.018 0.000 2.425 305 L HA 0.143 4.483 4.340 -0.000 0.000 0.215 305 L C 1.641 178.461 176.870 -0.083 0.000 1.065 305 L CA 0.721 55.519 54.840 -0.071 0.000 0.842 305 L CB 0.596 42.635 42.059 -0.034 0.000 1.033 305 L HN -0.024 nan 8.230 nan 0.000 0.474 306 V N -1.031 118.865 119.914 -0.030 0.000 3.380 306 V HA -0.057 4.063 4.120 -0.000 0.000 0.268 306 V C 2.394 178.469 176.094 -0.031 0.000 1.168 306 V CA 1.298 63.584 62.300 -0.023 0.000 1.156 306 V CB -0.427 31.399 31.823 0.005 0.000 0.785 306 V HN 0.528 nan 8.190 nan 0.000 0.487 307 S N -0.661 115.016 115.700 -0.038 0.000 2.412 307 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 307 S C 2.000 176.569 174.600 -0.051 0.000 1.048 307 S CA 0.504 58.683 58.200 -0.034 0.000 0.954 307 S CB 0.079 63.264 63.200 -0.025 0.000 0.840 307 S HN 0.521 nan 8.310 nan 0.000 0.503 308 Q N 1.731 121.486 119.800 -0.076 0.000 1.969 308 Q HA 0.166 4.506 4.340 -0.000 0.000 0.198 308 Q C 0.325 176.259 176.000 -0.109 0.000 0.978 308 Q CA 1.018 56.766 55.803 -0.092 0.000 0.830 308 Q CB -0.820 27.848 28.738 -0.116 0.000 0.896 308 Q HN 0.536 nan 8.270 nan 0.000 0.431 309 N N 1.631 120.225 118.700 -0.177 0.000 2.476 309 N HA 0.172 4.912 4.740 -0.000 0.000 0.276 309 N C -0.410 175.045 175.510 -0.092 0.000 1.204 309 N CA -0.394 52.554 53.050 -0.171 0.000 0.974 309 N CB 0.489 38.727 38.487 -0.415 0.000 1.204 309 N HN 0.043 nan 8.380 nan 0.000 0.543 310 Q N -0.702 119.081 119.800 -0.027 0.000 2.377 310 Q HA 0.543 4.883 4.340 -0.000 0.000 0.249 310 Q C -1.283 174.735 176.000 0.030 0.000 1.005 310 Q CA -0.453 55.350 55.803 0.000 0.000 0.912 310 Q CB 0.644 29.388 28.738 0.011 0.000 1.223 310 Q HN 0.214 nan 8.270 nan 0.000 0.459 311 V N 3.192 123.116 119.914 0.017 0.000 2.448 311 V HA 0.664 4.784 4.120 -0.000 0.000 0.295 311 V C 0.658 176.773 176.094 0.035 0.000 1.025 311 V CA -0.284 62.042 62.300 0.044 0.000 0.859 311 V CB 1.777 33.620 31.823 0.034 0.000 0.988 311 V HN 0.966 nan 8.190 nan 0.000 0.431 312 G N 3.992 112.814 108.800 0.037 0.000 3.519 312 G HA2 0.454 4.414 3.960 -0.000 0.000 0.269 312 G HA3 0.454 4.414 3.960 -0.000 0.000 0.269 312 G C -0.552 174.365 174.900 0.028 0.000 1.028 312 G CA 0.147 45.263 45.100 0.027 0.000 0.809 312 G HN 0.476 nan 8.290 nan 0.000 0.521 313 L N 0.393 121.638 121.223 0.037 0.000 2.549 313 L HA 0.654 4.994 4.340 -0.000 0.000 0.259 313 L C -1.859 175.044 176.870 0.054 0.000 0.934 313 L CA -0.852 54.010 54.840 0.037 0.000 0.865 313 L CB 2.025 44.096 42.059 0.020 0.000 1.352 313 L HN -0.015 nan 8.230 nan 0.000 0.410 314 I N 5.397 126.009 120.570 0.069 0.000 2.499 314 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 314 I C -0.993 175.189 176.117 0.108 0.000 1.048 314 I CA -0.518 60.845 61.300 0.105 0.000 1.062 314 I CB 1.977 40.078 38.000 0.168 0.000 1.238 314 I HN 0.433 nan 8.210 nan 0.000 0.426 315 I N 7.023 127.656 120.570 0.106 0.000 2.377 315 I HA 0.393 4.563 4.170 -0.000 0.000 0.293 315 I C -0.262 175.954 176.117 0.166 0.000 0.987 315 I CA -0.102 61.264 61.300 0.111 0.000 1.185 315 I CB 1.509 39.556 38.000 0.078 0.000 1.341 315 I HN 0.351 nan 8.210 nan 0.000 0.455 316 I N 5.223 125.888 120.570 0.159 0.000 2.390 316 I HA 0.241 4.411 4.170 -0.000 0.000 0.283 316 I C -0.876 175.334 176.117 0.155 0.000 1.016 316 I CA -0.299 61.103 61.300 0.170 0.000 1.151 316 I CB 1.130 39.203 38.000 0.121 0.000 1.293 316 I HN 0.465 nan 8.210 nan 0.000 0.458 317 D N 7.564 128.057 120.400 0.156 0.000 2.472 317 D HA 0.339 4.979 4.640 -0.000 0.000 0.234 317 D C -1.198 175.161 176.300 0.098 0.000 1.088 317 D CA -0.137 53.980 54.000 0.195 0.000 0.882 317 D CB 0.436 41.346 40.800 0.183 0.000 1.037 317 D HN 0.327 nan 8.370 nan 0.000 0.520 318 Y N 1.175 121.516 120.300 0.069 0.000 2.609 318 Y HA 0.384 4.934 4.550 -0.000 0.000 0.342 318 Y C 0.684 176.613 175.900 0.048 0.000 1.058 318 Y CA -1.381 56.756 58.100 0.062 0.000 1.055 318 Y CB 0.349 38.844 38.460 0.059 0.000 1.292 318 Y HN 0.072 nan 8.280 nan 0.000 0.476 319 L N 1.203 122.579 121.223 0.254 0.000 1.997 319 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 319 L C 2.113 179.054 176.870 0.118 0.000 1.074 319 L CA 2.180 57.106 54.840 0.142 0.000 0.763 319 L CB -0.687 41.452 42.059 0.133 0.000 0.890 319 L HN 0.861 nan 8.230 nan 0.000 0.434 320 Q N -0.592 119.367 119.800 0.264 0.000 2.508 320 Q HA -0.123 4.217 4.340 -0.000 0.000 0.214 320 Q C 2.001 178.034 176.000 0.054 0.000 0.979 320 Q CA 0.993 56.916 55.803 0.201 0.000 0.911 320 Q CB -0.440 28.496 28.738 0.330 0.000 0.969 320 Q HN 0.563 nan 8.270 nan 0.000 0.504 321 L N -0.284 120.853 121.223 -0.144 0.000 2.592 321 L HA 0.188 4.528 4.340 -0.000 0.000 0.227 321 L C 0.715 177.515 176.870 -0.117 0.000 1.127 321 L CA -0.145 54.560 54.840 -0.225 0.000 0.884 321 L CB 0.096 41.861 42.059 -0.490 0.000 1.065 321 L HN 0.150 nan 8.230 nan 0.000 0.457 322 M N -0.578 118.981 119.600 -0.069 0.000 2.249 322 M HA 0.185 4.665 4.480 -0.000 0.000 0.351 322 M C 0.202 176.483 176.300 -0.032 0.000 1.180 322 M CA 0.065 55.334 55.300 -0.052 0.000 1.127 322 M CB 1.605 34.177 32.600 -0.046 0.000 1.546 322 M HN -0.056 nan 8.290 nan 0.000 0.461 323 S N 1.051 116.731 115.700 -0.033 0.000 2.585 323 S HA 0.599 5.069 4.470 -0.000 0.000 0.277 323 S C 0.284 174.872 174.600 -0.020 0.000 1.241 323 S CA -0.916 57.272 58.200 -0.022 0.000 1.041 323 S CB 1.475 64.662 63.200 -0.021 0.000 0.987 323 S HN 0.843 nan 8.310 nan 0.000 0.512 324 G N 1.638 110.431 108.800 -0.012 0.000 2.557 324 G HA2 0.578 4.538 3.960 -0.000 0.000 0.292 324 G HA3 0.578 4.538 3.960 -0.000 0.000 0.292 324 G C -2.433 172.460 174.900 -0.012 0.000 1.237 324 G CA -1.189 43.904 45.100 -0.011 0.000 0.978 324 G HN 0.469 nan 8.290 nan 0.000 0.498 334 R N 1.314 121.823 120.500 0.015 0.000 2.120 334 R HA 0.096 4.436 4.340 -0.000 0.000 0.234 334 R C 1.770 178.081 176.300 0.019 0.000 1.123 334 R CA 2.000 58.111 56.100 0.018 0.000 0.975 334 R CB -0.332 29.981 30.300 0.022 0.000 0.866 334 R HN 0.548 nan 8.270 nan 0.000 0.446 335 Q N -0.476 119.335 119.800 0.018 0.000 2.030 335 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 335 Q C 2.074 178.083 176.000 0.016 0.000 0.986 335 Q CA 1.946 57.760 55.803 0.019 0.000 0.843 335 Q CB -0.252 28.496 28.738 0.016 0.000 0.904 335 Q HN 0.316 nan 8.270 nan 0.000 0.420 336 Q N 1.200 121.008 119.800 0.013 0.000 2.124 336 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 336 Q C 1.732 177.738 176.000 0.009 0.000 0.977 336 Q CA 1.692 57.501 55.803 0.010 0.000 0.850 336 Q CB -0.115 28.628 28.738 0.008 0.000 0.901 336 Q HN 0.389 nan 8.270 nan 0.000 0.429 337 E N -0.500 119.706 120.200 0.010 0.000 2.110 337 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 337 E C 1.765 178.370 176.600 0.009 0.000 0.988 337 E CA 1.347 57.751 56.400 0.008 0.000 0.804 337 E CB -0.096 29.609 29.700 0.009 0.000 0.745 337 E HN 0.555 nan 8.360 nan 0.000 0.458 338 I N 0.395 120.974 120.570 0.015 0.000 2.480 338 I HA -0.125 4.045 4.170 -0.000 0.000 0.251 338 I C 2.555 178.682 176.117 0.016 0.000 1.124 338 I CA 0.654 61.966 61.300 0.019 0.000 1.444 338 I CB -0.243 37.776 38.000 0.031 0.000 1.098 338 I HN 0.083 nan 8.210 nan 0.000 0.428 339 A N 1.105 123.934 122.820 0.014 0.000 1.902 339 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 339 A C 2.559 180.146 177.584 0.005 0.000 1.181 339 A CA 1.910 53.954 52.037 0.011 0.000 0.623 339 A CB -0.782 18.225 19.000 0.010 0.000 0.818 339 A HN 0.412 nan 8.150 nan 0.000 0.443 340 A N 0.012 122.834 122.820 0.003 0.000 1.902 340 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 340 A C 2.125 179.705 177.584 -0.006 0.000 1.181 340 A CA 1.577 53.613 52.037 -0.002 0.000 0.623 340 A CB -0.638 18.360 19.000 -0.003 0.000 0.818 340 A HN 0.509 nan 8.150 nan 0.000 0.443 341 I N -0.760 119.807 120.570 -0.005 0.000 2.179 341 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 341 I C 2.859 178.972 176.117 -0.008 0.000 1.088 341 I CA 1.542 62.836 61.300 -0.010 0.000 1.357 341 I CB -0.364 37.632 38.000 -0.008 0.000 1.051 341 I HN 0.426 nan 8.210 nan 0.000 0.409 342 S N 0.777 116.478 115.700 0.001 0.000 2.353 342 S HA -0.290 4.180 4.470 -0.000 0.000 0.222 342 S C 2.276 176.875 174.600 -0.002 0.000 1.035 342 S CA 1.964 60.167 58.200 0.004 0.000 1.025 342 S CB -0.310 62.896 63.200 0.010 0.000 0.902 342 S HN 0.345 nan 8.310 nan 0.000 0.440 343 R N 0.127 120.625 120.500 -0.004 0.000 2.105 343 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 343 R C 2.384 178.676 176.300 -0.013 0.000 1.135 343 R CA 1.716 57.812 56.100 -0.007 0.000 0.967 343 R CB -1.047 29.250 30.300 -0.007 0.000 0.861 343 R HN 0.502 nan 8.270 nan 0.000 0.442 344 G N 0.802 109.592 108.800 -0.016 0.000 2.422 344 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 344 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 344 G C 1.434 176.320 174.900 -0.025 0.000 1.146 344 G CA 0.715 45.802 45.100 -0.023 0.000 0.769 344 G HN 0.256 nan 8.290 nan 0.000 0.547 345 L N -0.012 121.199 121.223 -0.020 0.000 2.093 345 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 345 L C 2.777 179.641 176.870 -0.010 0.000 1.085 345 L CA 1.447 56.277 54.840 -0.017 0.000 0.755 345 L CB -0.275 41.779 42.059 -0.009 0.000 0.904 345 L HN 0.209 nan 8.230 nan 0.000 0.435 346 K N 0.926 121.321 120.400 -0.009 0.000 2.057 346 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 346 K C 2.018 178.607 176.600 -0.017 0.000 1.049 346 K CA 1.683 57.965 56.287 -0.008 0.000 0.931 346 K CB -0.393 32.103 32.500 -0.007 0.000 0.714 346 K HN 0.179 nan 8.250 nan 0.000 0.440 347 A N 0.806 123.611 122.820 -0.025 0.000 1.908 347 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 347 A C 2.162 179.723 177.584 -0.040 0.000 1.181 347 A CA 1.737 53.751 52.037 -0.039 0.000 0.627 347 A CB -0.834 18.143 19.000 -0.038 0.000 0.818 347 A HN 0.394 nan 8.150 nan 0.000 0.445 348 L N -0.200 121.006 121.223 -0.028 0.000 2.046 348 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 348 L C 2.678 179.544 176.870 -0.006 0.000 1.077 348 L CA 2.188 57.016 54.840 -0.020 0.000 0.747 348 L CB -0.905 41.141 42.059 -0.021 0.000 0.896 348 L HN 0.360 nan 8.230 nan 0.000 0.432 349 A N -0.165 122.655 122.820 -0.000 0.000 1.892 349 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 349 A C 2.401 179.995 177.584 0.018 0.000 1.188 349 A CA 2.086 54.131 52.037 0.013 0.000 0.631 349 A CB -0.630 18.378 19.000 0.014 0.000 0.822 349 A HN 0.531 nan 8.150 nan 0.000 0.447 350 R N -0.815 119.685 120.500 -0.000 0.000 2.096 350 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 350 R C 2.232 178.541 176.300 0.016 0.000 1.127 350 R CA 1.425 57.526 56.100 0.001 0.000 0.968 350 R CB -0.415 29.838 30.300 -0.078 0.000 0.861 350 R HN 0.805 nan 8.270 nan 0.000 0.440 351 E N 0.934 121.120 120.200 -0.024 0.000 2.150 351 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 351 E C 1.787 178.418 176.600 0.053 0.000 0.985 351 E CA 0.828 57.226 56.400 -0.002 0.000 0.814 351 E CB 0.134 29.821 29.700 -0.021 0.000 0.752 351 E HN 0.288 nan 8.360 nan 0.000 0.466 352 L N -1.201 120.047 121.223 0.042 0.000 2.416 352 L HA 0.236 4.576 4.340 -0.000 0.000 0.216 352 L C 1.473 178.372 176.870 0.049 0.000 1.098 352 L CA 0.388 55.253 54.840 0.042 0.000 0.840 352 L CB 0.231 42.310 42.059 0.034 0.000 0.981 352 L HN 0.301 nan 8.230 nan 0.000 0.462 353 G N 1.990 110.827 108.800 0.063 0.000 2.176 353 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 353 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 353 G C 0.089 175.011 174.900 0.037 0.000 1.024 353 G CA 0.599 45.734 45.100 0.058 0.000 0.755 353 G HN 0.487 nan 8.290 nan 0.000 0.507 354 I N -3.187 117.404 120.570 0.035 0.000 2.730 354 I HA 0.792 4.962 4.170 -0.000 0.000 0.298 354 I C -2.465 173.670 176.117 0.030 0.000 1.089 354 I CA -3.403 57.915 61.300 0.030 0.000 1.041 354 I CB 2.521 40.540 38.000 0.032 0.000 1.235 354 I HN -0.113 nan 8.210 nan 0.000 0.423 355 P HA 0.312 nan 4.420 nan 0.000 0.271 355 P C -0.881 176.439 177.300 0.034 0.000 1.218 355 P CA 0.185 63.301 63.100 0.027 0.000 0.780 355 P CB 1.240 32.953 31.700 0.021 0.000 0.901 356 I N 2.754 123.345 120.570 0.035 0.000 2.498 356 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 356 I C 0.168 176.311 176.117 0.045 0.000 1.032 356 I CA -0.976 60.352 61.300 0.046 0.000 1.073 356 I CB 1.872 39.899 38.000 0.044 0.000 1.251 356 I HN 0.124 nan 8.210 nan 0.000 0.426 357 I N 5.510 126.114 120.570 0.057 0.000 2.339 357 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 357 I C 0.035 176.197 176.117 0.074 0.000 0.994 357 I CA -0.404 60.932 61.300 0.060 0.000 1.191 357 I CB 1.707 39.745 38.000 0.063 0.000 1.343 357 I HN 0.567 nan 8.210 nan 0.000 0.458 358 A N 8.072 130.931 122.820 0.064 0.000 2.311 358 A HA 0.713 5.033 4.320 -0.000 0.000 0.306 358 A C -0.554 177.079 177.584 0.082 0.000 1.189 358 A CA -0.554 51.528 52.037 0.076 0.000 0.791 358 A CB 0.665 19.699 19.000 0.057 0.000 1.172 358 A HN 0.675 nan 8.150 nan 0.000 0.481 359 L N 1.766 123.060 121.223 0.119 0.000 2.371 359 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 359 L C 0.647 177.594 176.870 0.128 0.000 1.124 359 L CA -0.288 54.623 54.840 0.117 0.000 0.816 359 L CB 1.463 43.612 42.059 0.151 0.000 1.129 359 L HN 0.644 nan 8.230 nan 0.000 0.448 360 S N 1.585 117.322 115.700 0.062 0.000 2.538 360 S HA 0.383 4.853 4.470 -0.000 0.000 0.288 360 S C -0.606 173.974 174.600 -0.033 0.000 1.108 360 S CA -0.835 57.396 58.200 0.052 0.000 0.971 360 S CB 1.684 64.922 63.200 0.062 0.000 1.041 360 S HN 0.528 nan 8.310 nan 0.000 0.483 361 Q N 2.426 122.170 119.800 -0.094 0.000 2.312 361 Q HA 0.504 4.844 4.340 -0.000 0.000 0.236 361 Q C -0.613 175.366 176.000 -0.035 0.000 0.965 361 Q CA -0.176 55.541 55.803 -0.143 0.000 0.894 361 Q CB 0.954 29.553 28.738 -0.231 0.000 1.225 361 Q HN 0.670 nan 8.270 nan 0.000 0.478 362 L N 0.150 121.353 121.223 -0.033 0.000 2.362 362 L HA 0.390 4.730 4.340 -0.000 0.000 0.271 362 L C 0.404 177.272 176.870 -0.004 0.000 1.002 362 L CA -0.723 54.113 54.840 -0.007 0.000 0.818 362 L CB 2.046 44.097 42.059 -0.012 0.000 1.298 362 L HN 0.547 nan 8.230 nan 0.000 0.420 363 S N 0.760 116.462 115.700 0.002 0.000 2.608 363 S HA 0.175 4.645 4.470 -0.000 0.000 0.261 363 S C 1.067 175.675 174.600 0.014 0.000 1.314 363 S CA -0.161 58.045 58.200 0.010 0.000 0.992 363 S CB 0.645 63.850 63.200 0.009 0.000 0.935 363 S HN 0.638 nan 8.310 nan 0.000 0.564 364 R N 1.371 121.886 120.500 0.025 0.000 2.339 364 R HA 0.071 4.411 4.340 -0.000 0.000 0.199 364 R C 1.966 178.276 176.300 0.016 0.000 1.018 364 R CA 0.670 56.793 56.100 0.037 0.000 1.036 364 R CB -0.485 29.842 30.300 0.045 0.000 0.899 364 R HN 0.620 nan 8.270 nan 0.000 0.473 365 A N 0.694 123.513 122.820 -0.002 0.000 2.015 365 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 365 A C 2.151 179.708 177.584 -0.045 0.000 1.163 365 A CA 1.021 53.045 52.037 -0.021 0.000 0.646 365 A CB -0.143 18.843 19.000 -0.024 0.000 0.806 365 A HN 0.128 nan 8.150 nan 0.000 0.448 366 V N 0.195 120.077 119.914 -0.054 0.000 2.515 366 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 366 V C 1.865 177.895 176.094 -0.108 0.000 1.058 366 V CA 1.983 64.223 62.300 -0.101 0.000 1.064 366 V CB -0.775 30.983 31.823 -0.108 0.000 0.675 366 V HN 0.656 nan 8.190 nan 0.000 0.461 367 E N 0.215 120.391 120.200 -0.040 0.000 2.479 367 E HA 0.244 4.594 4.350 -0.000 0.000 0.193 367 E C 1.796 178.388 176.600 -0.012 0.000 1.049 367 E CA 0.542 56.931 56.400 -0.018 0.000 0.870 367 E CB 0.153 29.927 29.700 0.124 0.000 0.944 367 E HN 0.569 nan 8.360 nan 0.000 0.492 368 A N 1.828 124.632 122.820 -0.027 0.000 2.238 368 A HA 0.040 4.360 4.320 -0.000 0.000 0.210 368 A C 0.946 178.508 177.584 -0.035 0.000 1.179 368 A CA -0.101 51.924 52.037 -0.020 0.000 0.827 368 A CB -0.122 18.869 19.000 -0.016 0.000 0.856 368 A HN 0.137 nan 8.150 nan 0.000 0.488 369 R N -1.540 118.924 120.500 -0.060 0.000 2.803 369 R HA 0.596 4.936 4.340 -0.000 0.000 0.276 369 R C -2.502 173.750 176.300 -0.080 0.000 0.978 369 R CA -1.681 54.379 56.100 -0.068 0.000 0.939 369 R CB 0.296 30.547 30.300 -0.083 0.000 1.179 369 R HN -0.189 nan 8.270 nan 0.000 0.472 370 P HA -0.252 nan 4.420 nan 0.000 0.213 370 P C -0.339 176.903 177.300 -0.098 0.000 1.176 370 P CA 1.375 64.437 63.100 -0.064 0.000 0.919 370 P CB -0.048 31.622 31.700 -0.052 0.000 0.791 371 N N 0.164 118.790 118.700 -0.123 0.000 2.402 371 N HA -0.008 4.732 4.740 -0.000 0.000 0.259 371 N C 0.176 175.534 175.510 -0.253 0.000 1.167 371 N CA -0.046 52.895 53.050 -0.181 0.000 0.949 371 N CB 0.019 38.401 38.487 -0.175 0.000 1.212 371 N HN 0.030 nan 8.380 nan 0.000 0.493 372 K N 2.413 122.621 120.400 -0.320 0.000 2.504 372 K HA 0.089 4.409 4.320 -0.000 0.000 0.199 372 K C -0.156 176.146 176.600 -0.496 0.000 1.028 372 K CA 0.134 56.168 56.287 -0.422 0.000 1.164 372 K CB 0.293 32.401 32.500 -0.652 0.000 0.877 372 K HN 0.393 nan 8.250 nan 0.000 0.508 373 R N 1.559 121.697 120.500 -0.604 0.000 2.265 373 R HA 0.172 4.512 4.340 -0.000 0.000 0.314 373 R C -2.478 173.536 176.300 -0.476 0.000 1.053 373 R CA -1.917 53.770 56.100 -0.688 0.000 0.931 373 R CB 0.370 30.214 30.300 -0.760 0.000 1.024 373 R HN -0.054 nan 8.270 nan 0.000 0.457 374 P HA 0.056 nan 4.420 nan 0.000 0.270 374 P C -0.496 176.221 177.300 -0.972 0.000 1.223 374 P CA 0.049 62.684 63.100 -0.775 0.000 0.785 374 P CB 0.712 31.796 31.700 -1.026 0.000 0.923 375 M N -0.644 118.411 119.600 -0.908 0.000 2.755 375 M HA 0.366 4.846 4.480 -0.000 0.000 0.273 375 M C 0.273 176.485 176.300 -0.148 0.000 1.278 375 M CA -0.852 54.181 55.300 -0.445 0.000 0.819 375 M CB 1.076 33.554 32.600 -0.202 0.000 1.694 375 M HN -0.038 nan 8.290 nan 0.000 0.460 376 L N 0.571 121.890 121.223 0.160 0.000 2.081 376 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 376 L C 2.683 179.601 176.870 0.080 0.000 1.080 376 L CA 2.035 56.995 54.840 0.200 0.000 0.754 376 L CB -0.632 41.504 42.059 0.128 0.000 0.893 376 L HN 1.054 nan 8.230 nan 0.000 0.433 377 S N -0.159 115.547 115.700 0.009 0.000 2.402 377 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 377 S C 1.475 176.061 174.600 -0.024 0.000 1.030 377 S CA 1.860 60.051 58.200 -0.016 0.000 1.003 377 S CB -0.260 62.915 63.200 -0.041 0.000 0.813 377 S HN 0.439 nan 8.310 nan 0.000 0.477 378 D N 0.733 121.100 120.400 -0.055 0.000 2.312 378 D HA 0.070 4.710 4.640 -0.000 0.000 0.211 378 D C 1.679 177.981 176.300 0.003 0.000 0.964 378 D CA 0.505 54.468 54.000 -0.061 0.000 0.877 378 D CB -0.187 40.521 40.800 -0.153 0.000 0.924 378 D HN 0.414 nan 8.370 nan 0.000 0.515 379 L N 0.421 121.678 121.223 0.057 0.000 2.341 379 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 379 L C 1.890 178.790 176.870 0.049 0.000 1.115 379 L CA 0.288 55.177 54.840 0.083 0.000 0.820 379 L CB 0.005 42.144 42.059 0.134 0.000 0.944 379 L HN -0.019 nan 8.230 nan 0.000 0.452 380 R N -0.006 120.514 120.500 0.034 0.000 2.346 380 R HA -0.107 4.233 4.340 -0.000 0.000 0.199 380 R C 1.569 177.878 176.300 0.016 0.000 1.015 380 R CA 0.720 56.833 56.100 0.022 0.000 1.058 380 R CB -0.722 29.587 30.300 0.016 0.000 0.921 380 R HN 0.357 nan 8.270 nan 0.000 0.475 381 E N 1.334 121.544 120.200 0.016 0.000 2.028 381 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 381 E C 0.002 176.614 176.600 0.019 0.000 0.988 381 E CA 1.524 57.932 56.400 0.013 0.000 0.799 381 E CB 0.032 29.739 29.700 0.012 0.000 0.755 381 E HN 0.490 nan 8.360 nan 0.000 0.447 382 S N 0.394 116.110 115.700 0.026 0.000 3.208 382 S HA 0.527 4.997 4.470 -0.000 0.000 0.195 382 S C 0.563 175.178 174.600 0.026 0.000 1.394 382 S CA -0.170 58.047 58.200 0.028 0.000 1.127 382 S CB 0.421 63.644 63.200 0.037 0.000 1.282 382 S HN 0.607 nan 8.310 nan 0.000 0.513 383 G N 2.097 110.909 108.800 0.021 0.000 2.528 383 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.262 383 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.262 383 G C 0.139 175.050 174.900 0.019 0.000 1.200 383 G CA -0.211 44.900 45.100 0.018 0.000 0.951 383 G HN 0.976 nan 8.290 nan 0.000 0.566 384 S N 1.003 116.713 115.700 0.016 0.000 2.489 384 S HA 0.405 4.875 4.470 -0.000 0.000 0.237 384 S C 1.936 176.546 174.600 0.017 0.000 1.220 384 S CA 0.221 58.431 58.200 0.015 0.000 1.231 384 S CB -0.086 63.121 63.200 0.011 0.000 0.900 384 S HN 0.525 nan 8.310 nan 0.000 0.492 385 I N 1.991 122.575 120.570 0.023 0.000 2.248 385 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 385 I C 2.742 178.868 176.117 0.016 0.000 1.107 385 I CA 1.588 62.902 61.300 0.023 0.000 1.373 385 I CB -0.281 37.740 38.000 0.034 0.000 1.055 385 I HN 0.550 nan 8.210 nan 0.000 0.418 386 E N 0.589 120.801 120.200 0.020 0.000 2.152 386 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 386 E C 2.022 178.626 176.600 0.006 0.000 0.983 386 E CA 0.617 57.024 56.400 0.012 0.000 0.818 386 E CB -0.343 29.373 29.700 0.027 0.000 0.758 386 E HN 0.446 nan 8.360 nan 0.000 0.467 387 Q N 0.739 120.544 119.800 0.009 0.000 2.181 387 Q HA -0.143 4.197 4.340 -0.000 0.000 0.205 387 Q C 1.067 177.069 176.000 0.002 0.000 0.980 387 Q CA 1.443 57.249 55.803 0.006 0.000 0.862 387 Q CB -0.036 28.706 28.738 0.006 0.000 0.905 387 Q HN 0.492 nan 8.270 nan 0.000 0.429 388 D N -0.937 119.464 120.400 0.001 0.000 2.398 388 D HA 0.171 4.811 4.640 -0.000 0.000 0.210 388 D C -0.118 176.181 176.300 -0.003 0.000 1.094 388 D CA 0.030 54.029 54.000 -0.001 0.000 0.839 388 D CB 0.497 41.296 40.800 -0.001 0.000 0.963 388 D HN 0.025 nan 8.370 nan 0.000 0.506 389 A N 0.864 123.681 122.820 -0.005 0.000 2.331 389 A HA 0.194 4.514 4.320 -0.000 0.000 0.283 389 A C 0.811 178.387 177.584 -0.013 0.000 1.142 389 A CA -0.279 51.751 52.037 -0.011 0.000 0.812 389 A CB 0.883 19.870 19.000 -0.021 0.000 1.074 389 A HN -0.111 nan 8.150 nan 0.000 0.497 390 D N 0.437 120.829 120.400 -0.012 0.000 2.301 390 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 390 D C -0.302 175.987 176.300 -0.019 0.000 0.979 390 D CA 0.864 54.858 54.000 -0.010 0.000 0.874 390 D CB 0.400 41.199 40.800 -0.002 0.000 0.968 390 D HN 0.346 nan 8.370 nan 0.000 0.510 391 L N 0.858 122.063 121.223 -0.030 0.000 2.436 391 L HA 0.377 4.717 4.340 -0.000 0.000 0.268 391 L C -1.534 175.282 176.870 -0.091 0.000 0.974 391 L CA -0.667 54.144 54.840 -0.048 0.000 0.826 391 L CB 2.513 44.555 42.059 -0.028 0.000 1.291 391 L HN -0.363 nan 8.230 nan 0.000 0.406 392 V N 5.876 125.699 119.914 -0.151 0.000 2.525 392 V HA 0.590 4.710 4.120 -0.000 0.000 0.299 392 V C -0.428 175.401 176.094 -0.443 0.000 1.034 392 V CA -0.343 61.780 62.300 -0.296 0.000 0.863 392 V CB 1.778 33.413 31.823 -0.312 0.000 0.999 392 V HN 0.801 nan 8.190 nan 0.000 0.423 393 M N 5.322 124.614 119.600 -0.514 0.000 2.326 393 M HA 0.633 5.113 4.480 -0.000 0.000 0.306 393 M C -1.297 174.644 176.300 -0.599 0.000 1.054 393 M CA -0.080 54.933 55.300 -0.479 0.000 0.922 393 M CB 2.333 34.785 32.600 -0.248 0.000 1.632 393 M HN 0.450 nan 8.290 nan 0.000 0.436 394 F N 2.507 122.372 119.950 -0.141 0.000 2.483 394 F HA 0.709 5.236 4.527 -0.000 0.000 0.329 394 F C -0.108 175.566 175.800 -0.209 0.000 1.064 394 F CA -0.864 57.048 58.000 -0.147 0.000 0.986 394 F CB 1.305 40.246 39.000 -0.099 0.000 1.218 394 F HN 0.350 nan 8.300 nan 0.000 0.484 395 I N 2.000 122.580 120.570 0.017 0.000 2.418 395 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 395 I C -1.536 174.592 176.117 0.018 0.000 1.008 395 I CA -0.781 60.460 61.300 -0.098 0.000 1.104 395 I CB 1.702 39.561 38.000 -0.236 0.000 1.264 395 I HN 0.508 nan 8.210 nan 0.000 0.438 396 Y N 6.791 127.035 120.300 -0.095 0.000 2.442 396 Y HA 0.657 5.207 4.550 -0.000 0.000 0.344 396 Y C -1.080 174.789 175.900 -0.052 0.000 0.976 396 Y CA -0.803 57.262 58.100 -0.058 0.000 1.040 396 Y CB 1.515 39.950 38.460 -0.042 0.000 1.228 396 Y HN 0.459 nan 8.280 nan 0.000 0.451 397 R N 4.581 124.648 120.500 -0.721 0.000 2.575 397 R HA 0.201 4.541 4.340 -0.000 0.000 0.293 397 R C -0.203 175.722 176.300 -0.625 0.000 0.983 397 R CA -0.839 54.933 56.100 -0.547 0.000 0.887 397 R CB 1.776 31.850 30.300 -0.377 0.000 1.184 397 R HN 0.768 nan 8.270 nan 0.000 0.445 398 D N 2.198 122.375 120.400 -0.372 0.000 2.137 398 D HA -0.223 4.417 4.640 -0.000 0.000 0.189 398 D C 1.168 177.418 176.300 -0.084 0.000 0.998 398 D CA 1.782 55.693 54.000 -0.149 0.000 0.839 398 D CB 0.294 41.087 40.800 -0.011 0.000 0.962 398 D HN 0.600 nan 8.370 nan 0.000 0.446 399 E N -0.571 119.573 120.200 -0.092 0.000 2.149 399 E HA -0.293 4.057 4.350 -0.000 0.000 0.215 399 E C 2.143 178.665 176.600 -0.129 0.000 1.055 399 E CA 1.496 57.837 56.400 -0.098 0.000 0.870 399 E CB -0.465 29.192 29.700 -0.072 0.000 0.764 399 E HN 0.439 nan 8.360 nan 0.000 0.463 400 Y N -0.428 119.685 120.300 -0.311 0.000 2.139 400 Y HA -0.313 4.237 4.550 -0.000 0.000 0.282 400 Y C 1.699 177.289 175.900 -0.516 0.000 1.179 400 Y CA 2.009 59.827 58.100 -0.471 0.000 1.161 400 Y CB -0.088 37.953 38.460 -0.697 0.000 0.970 400 Y HN 0.131 nan 8.280 nan 0.000 0.511 401 Y N -1.977 118.373 120.300 0.083 0.000 2.481 401 Y HA 0.220 4.770 4.550 -0.000 0.000 0.258 401 Y C 0.191 176.116 175.900 0.042 0.000 1.103 401 Y CA -0.069 58.081 58.100 0.085 0.000 1.287 401 Y CB 0.423 38.980 38.460 0.161 0.000 1.108 401 Y HN -0.075 nan 8.280 nan 0.000 0.529 402 N N 0.564 119.315 118.700 0.084 0.000 2.725 402 N HA 0.186 4.926 4.740 -0.000 0.000 0.248 402 N C -2.889 172.417 175.510 -0.340 0.000 1.402 402 N CA -0.988 52.061 53.050 -0.002 0.000 0.766 402 N CB 1.244 39.870 38.487 0.232 0.000 1.223 402 N HN -0.057 nan 8.380 nan 0.000 0.515 403 P HA 0.143 nan 4.420 nan 0.000 0.254 403 P C -0.099 176.904 177.300 -0.495 0.000 1.631 403 P CA 0.491 63.301 63.100 -0.483 0.000 0.861 403 P CB -0.074 31.401 31.700 -0.375 0.000 1.663 404 H N -3.846 115.225 119.070 0.003 0.000 2.348 404 H HA 0.377 4.933 4.556 -0.000 0.000 0.233 404 H C 0.266 175.600 175.328 0.010 0.000 0.889 404 H CA 0.037 56.088 56.048 0.006 0.000 1.034 404 H CB 0.526 30.294 29.762 0.010 0.000 1.393 404 H HN -0.131 nan 8.280 nan 0.000 0.422 405 S N -0.978 114.819 115.700 0.161 0.000 2.587 405 S HA 0.259 4.729 4.470 -0.000 0.000 0.269 405 S C -0.211 174.444 174.600 0.093 0.000 1.154 405 S CA -0.718 57.544 58.200 0.103 0.000 0.824 405 S CB 2.725 65.986 63.200 0.101 0.000 1.118 405 S HN 0.379 nan 8.310 nan 0.000 0.462 406 E N 0.206 120.447 120.200 0.068 0.000 2.357 406 E HA 0.156 4.506 4.350 -0.000 0.000 0.202 406 E C -0.606 176.016 176.600 0.036 0.000 0.855 406 E CA -0.024 56.407 56.400 0.052 0.000 1.048 406 E CB 0.089 29.819 29.700 0.050 0.000 1.037 406 E HN 0.213 nan 8.360 nan 0.000 0.499 407 K N 1.763 122.184 120.400 0.035 0.000 2.419 407 K HA 0.092 4.412 4.320 -0.000 0.000 0.282 407 K C 0.363 176.968 176.600 0.009 0.000 1.056 407 K CA 0.135 56.436 56.287 0.023 0.000 1.035 407 K CB 0.794 33.310 32.500 0.027 0.000 0.921 407 K HN 0.168 nan 8.250 nan 0.000 0.472 408 A N 3.079 125.904 122.820 0.008 0.000 1.832 408 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 408 A C 1.325 178.906 177.584 -0.005 0.000 1.200 408 A CA 1.569 53.607 52.037 0.001 0.000 0.610 408 A CB -0.381 18.622 19.000 0.005 0.000 0.842 408 A HN 0.685 nan 8.150 nan 0.000 0.444 409 G N -0.823 107.967 108.800 -0.017 0.000 4.864 409 G HA2 0.497 4.457 3.960 -0.000 0.000 0.280 409 G HA3 0.497 4.457 3.960 -0.000 0.000 0.280 409 G C -0.682 174.196 174.900 -0.036 0.000 1.239 409 G CA -0.174 44.902 45.100 -0.041 0.000 0.951 409 G HN 0.163 nan 8.290 nan 0.000 0.583 410 I N 1.569 122.138 120.570 -0.002 0.000 2.404 410 I HA 0.669 4.839 4.170 -0.000 0.000 0.293 410 I C 0.269 176.394 176.117 0.013 0.000 0.992 410 I CA -0.866 60.442 61.300 0.014 0.000 1.149 410 I CB 2.179 40.191 38.000 0.021 0.000 1.315 410 I HN 0.165 nan 8.210 nan 0.000 0.446 411 A N 5.380 128.227 122.820 0.045 0.000 2.331 411 A HA 0.715 5.035 4.320 -0.000 0.000 0.320 411 A C -0.501 177.112 177.584 0.050 0.000 1.138 411 A CA -0.623 51.436 52.037 0.036 0.000 0.790 411 A CB 0.630 19.712 19.000 0.137 0.000 1.206 411 A HN 0.698 nan 8.150 nan 0.000 0.470 412 E N 1.233 121.457 120.200 0.040 0.000 2.266 412 E HA 0.474 4.824 4.350 -0.000 0.000 0.277 412 E C -1.089 175.496 176.600 -0.025 0.000 1.018 412 E CA -0.229 56.200 56.400 0.048 0.000 0.840 412 E CB 1.674 31.457 29.700 0.138 0.000 1.082 412 E HN 0.563 nan 8.360 nan 0.000 0.395 413 I N 4.213 124.747 120.570 -0.061 0.000 2.502 413 I HA 0.238 4.408 4.170 -0.000 0.000 0.276 413 I C -0.502 175.584 176.117 -0.053 0.000 1.057 413 I CA -0.362 60.854 61.300 -0.140 0.000 1.163 413 I CB 0.587 38.444 38.000 -0.238 0.000 1.288 413 I HN 0.325 nan 8.210 nan 0.000 0.479 414 I N 5.977 126.557 120.570 0.018 0.000 2.436 414 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 414 I C 0.062 176.204 176.117 0.043 0.000 1.083 414 I CA -0.426 60.922 61.300 0.081 0.000 1.372 414 I CB 0.739 38.846 38.000 0.179 0.000 1.408 414 I HN 0.153 nan 8.210 nan 0.000 0.516 415 V N 6.857 126.773 119.914 0.003 0.000 2.368 415 V HA 0.225 4.345 4.120 -0.000 0.000 0.266 415 V C 1.161 177.246 176.094 -0.015 0.000 1.045 415 V CA 0.013 62.282 62.300 -0.051 0.000 0.899 415 V CB 0.903 32.705 31.823 -0.034 0.000 1.006 415 V HN 1.031 nan 8.190 nan 0.000 0.470 416 G N 4.363 113.122 108.800 -0.068 0.000 2.447 416 G HA2 0.034 3.994 3.960 -0.000 0.000 0.211 416 G HA3 0.034 3.994 3.960 -0.000 0.000 0.211 416 G C 0.569 175.464 174.900 -0.008 0.000 1.184 416 G CA 0.192 45.306 45.100 0.024 0.000 0.813 416 G HN 0.522 nan 8.290 nan 0.000 0.540 417 K N 0.230 120.597 120.400 -0.054 0.000 2.422 417 K HA 0.498 4.818 4.320 -0.000 0.000 0.251 417 K C -1.450 175.127 176.600 -0.037 0.000 0.933 417 K CA -0.673 55.594 56.287 -0.033 0.000 0.798 417 K CB 1.646 34.128 32.500 -0.030 0.000 1.238 417 K HN 0.424 nan 8.250 nan 0.000 0.428 418 Q N 2.814 122.603 119.800 -0.019 0.000 2.479 418 Q HA 0.353 4.693 4.340 -0.000 0.000 0.276 418 Q C -0.393 175.604 176.000 -0.005 0.000 0.989 418 Q CA -1.010 54.785 55.803 -0.013 0.000 0.864 418 Q CB 1.568 30.299 28.738 -0.010 0.000 1.444 418 Q HN 0.532 nan 8.270 nan 0.000 0.388 419 R N 1.268 121.767 120.500 -0.002 0.000 2.080 419 R HA -0.055 4.285 4.340 -0.000 0.000 0.222 419 R C 1.428 177.730 176.300 0.003 0.000 1.107 419 R CA 1.888 57.989 56.100 0.001 0.000 0.980 419 R CB -0.294 30.008 30.300 0.002 0.000 0.879 419 R HN 0.860 nan 8.270 nan 0.000 0.439 420 N N 0.435 119.137 118.700 0.004 0.000 2.022 420 N HA -0.122 4.618 4.740 -0.000 0.000 0.194 420 N C 1.230 176.743 175.510 0.005 0.000 1.057 420 N CA 1.309 54.362 53.050 0.005 0.000 0.849 420 N CB -0.416 38.075 38.487 0.007 0.000 1.044 420 N HN 0.105 nan 8.380 nan 0.000 0.424 421 G N -0.725 108.079 108.800 0.006 0.000 2.971 421 G HA2 0.625 4.585 3.960 -0.000 0.000 0.235 421 G HA3 0.625 4.585 3.960 -0.000 0.000 0.235 421 G C -2.648 172.254 174.900 0.004 0.000 1.351 421 G CA -1.121 43.983 45.100 0.006 0.000 1.039 421 G HN 0.231 nan 8.290 nan 0.000 0.563 422 P HA 0.379 nan 4.420 nan 0.000 0.301 422 P C -0.425 176.878 177.300 0.004 0.000 1.309 422 P CA -0.409 62.693 63.100 0.004 0.000 0.782 422 P CB 0.646 32.349 31.700 0.005 0.000 1.282 423 T N -0.223 114.334 114.554 0.005 0.000 2.851 423 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 423 T C 0.287 174.992 174.700 0.008 0.000 0.977 423 T CA 0.414 62.519 62.100 0.007 0.000 1.126 423 T CB -0.186 68.689 68.868 0.011 0.000 0.916 423 T HN 0.687 nan 8.240 nan 0.000 0.529 424 G N 1.724 110.529 108.800 0.008 0.000 2.733 424 G HA2 0.484 4.444 3.960 -0.000 0.000 0.297 424 G HA3 0.484 4.444 3.960 -0.000 0.000 0.297 424 G C -0.859 174.047 174.900 0.010 0.000 1.452 424 G CA -0.752 44.353 45.100 0.009 0.000 0.940 424 G HN 0.571 nan 8.290 nan 0.000 0.547 425 T N 0.990 115.550 114.554 0.010 0.000 2.806 425 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 425 T C 0.093 174.801 174.700 0.012 0.000 0.966 425 T CA -0.275 61.831 62.100 0.010 0.000 1.060 425 T CB 1.633 70.509 68.868 0.012 0.000 0.927 425 T HN 0.408 nan 8.240 nan 0.000 0.485 426 V N 3.758 123.676 119.914 0.007 0.000 2.513 426 V HA 0.375 4.495 4.120 -0.000 0.000 0.299 426 V C 0.021 176.120 176.094 0.008 0.000 1.035 426 V CA -0.855 61.453 62.300 0.013 0.000 0.889 426 V CB 1.855 33.689 31.823 0.019 0.000 0.988 426 V HN 0.851 nan 8.190 nan 0.000 0.440 427 E N 3.549 123.763 120.200 0.024 0.000 2.166 427 E HA 0.612 4.962 4.350 -0.000 0.000 0.275 427 E C -1.123 175.502 176.600 0.042 0.000 0.941 427 E CA -0.567 55.852 56.400 0.032 0.000 0.784 427 E CB 2.374 32.097 29.700 0.040 0.000 1.115 427 E HN 0.356 nan 8.360 nan 0.000 0.399 428 L N 1.566 122.821 121.223 0.053 0.000 2.257 428 L HA 0.342 4.682 4.340 -0.000 0.000 0.257 428 L C -0.944 175.993 176.870 0.111 0.000 1.033 428 L CA -0.573 54.320 54.840 0.088 0.000 0.835 428 L CB 2.038 44.140 42.059 0.072 0.000 1.398 428 L HN 0.454 nan 8.230 nan 0.000 0.429 429 Q N 0.967 120.843 119.800 0.126 0.000 2.245 429 Q HA 0.439 4.779 4.340 -0.000 0.000 0.256 429 Q C -1.800 174.186 176.000 -0.022 0.000 0.942 429 Q CA -0.374 55.443 55.803 0.022 0.000 0.896 429 Q CB 2.322 31.042 28.738 -0.030 0.000 1.272 429 Q HN 0.446 nan 8.270 nan 0.000 0.442 430 F N 2.300 122.025 119.950 -0.375 0.000 2.557 430 F HA 0.300 4.827 4.527 -0.000 0.000 0.316 430 F C -1.057 174.440 175.800 -0.505 0.000 1.141 430 F CA -0.666 57.015 58.000 -0.532 0.000 0.922 430 F CB 1.288 39.949 39.000 -0.566 0.000 1.194 430 F HN 0.515 nan 8.300 nan 0.000 0.443 431 H N 6.174 124.738 119.070 -0.843 0.000 2.641 431 H HA 0.403 4.959 4.556 -0.000 0.000 0.295 431 H C 0.738 175.544 175.328 -0.871 0.000 1.070 431 H CA 0.314 56.015 56.048 -0.579 0.000 1.257 431 H CB 1.682 31.271 29.762 -0.288 0.000 1.393 431 H HN 0.890 nan 8.280 nan 0.000 0.464 432 A N 3.218 125.806 122.820 -0.386 0.000 1.917 432 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 432 A C 2.265 179.738 177.584 -0.184 0.000 1.182 432 A CA 2.023 53.965 52.037 -0.158 0.000 0.633 432 A CB -0.228 18.788 19.000 0.027 0.000 0.819 432 A HN 0.589 nan 8.150 nan 0.000 0.448 433 S N -1.084 114.468 115.700 -0.246 0.000 2.377 433 S HA -0.063 4.407 4.470 -0.000 0.000 0.223 433 S C 1.582 175.947 174.600 -0.392 0.000 1.030 433 S CA 0.947 58.946 58.200 -0.336 0.000 0.970 433 S CB -0.360 62.556 63.200 -0.474 0.000 0.830 433 S HN 0.747 nan 8.310 nan 0.000 0.473 434 H N 0.658 119.645 119.070 -0.139 0.000 2.551 434 H HA 0.313 4.869 4.556 -0.000 0.000 0.271 434 H C 0.290 175.528 175.328 -0.151 0.000 0.984 434 H CA -0.025 55.947 56.048 -0.127 0.000 1.164 434 H CB -0.214 29.462 29.762 -0.143 0.000 1.437 434 H HN 0.040 nan 8.280 nan 0.000 0.550 435 V N 1.390 121.183 119.914 -0.202 0.000 5.825 435 V HA -0.319 3.801 4.120 -0.000 0.000 0.234 435 V C 0.635 176.632 176.094 -0.162 0.000 0.670 435 V CA 1.112 63.268 62.300 -0.239 0.000 0.559 435 V CB -2.038 29.835 31.823 0.084 0.000 0.240 435 V HN 0.468 nan 8.190 nan 0.000 0.545 436 R N 0.606 120.863 120.500 -0.404 0.000 2.795 436 R HA 0.786 5.126 4.340 -0.000 0.000 0.275 436 R C -1.048 175.165 176.300 -0.145 0.000 0.981 436 R CA -0.834 55.224 56.100 -0.069 0.000 0.917 436 R CB 1.648 31.981 30.300 0.055 0.000 1.202 436 R HN 0.198 nan 8.270 nan 0.000 0.469 437 F N 1.482 121.599 119.950 0.279 0.000 2.480 437 F HA 0.530 5.057 4.527 -0.000 0.000 0.329 437 F C 0.176 176.193 175.800 0.362 0.000 1.091 437 F CA -0.538 57.673 58.000 0.352 0.000 0.972 437 F CB 1.978 41.247 39.000 0.449 0.000 1.150 437 F HN 0.338 nan 8.300 nan 0.000 0.467 438 N N 1.000 119.988 118.700 0.480 0.000 2.396 438 N HA 0.181 4.921 4.740 -0.000 0.000 0.275 438 N C -1.706 174.011 175.510 0.346 0.000 1.218 438 N CA -0.745 52.541 53.050 0.393 0.000 0.812 438 N CB 2.114 40.761 38.487 0.266 0.000 1.592 438 N HN 0.484 nan 8.380 nan 0.000 0.480 439 D N 0.945 121.547 120.400 0.337 0.000 2.419 439 D HA 0.043 4.683 4.640 -0.000 0.000 0.236 439 D C 0.618 177.016 176.300 0.163 0.000 1.165 439 D CA 0.044 54.199 54.000 0.257 0.000 0.882 439 D CB 0.973 41.905 40.800 0.220 0.000 1.201 439 D HN 0.279 nan 8.370 nan 0.000 0.443 440 L N 0.000 121.298 121.223 0.125 0.000 2.949 440 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 440 L CA 0.000 54.893 54.840 0.089 0.000 0.813 440 L CB 0.000 42.102 42.059 0.072 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502