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_A DATA FIRST_RESID 5 DATA SEQUENCE IPPHSLEAEQ SVLGSILLDS DVMDEVEGLL PSPEAFYAEA HRKIYAAMQA DATA SEQUENCE LRSQGRPVDL VTLSEELSRR GQLEEVGGTA YLLQLSEATP TAAYAEHYAR DATA SEQUENCE IVAEKWTLRR LIQAAGEAMR LAYEEAGSLD EILDTAGKKI LEVALTKTDT DATA SEQUENCE EARPMRELVH ETFEHIEAXX XXXXXXXXVR TGFKELDQLI GTLGPGSLNI DATA SEQUENCE IAARPAMGKT AFALTIAQNA ALKEGVGVGI YSLEMPAAQL TLRMMCSEAR DATA SEQUENCE IDMNRVRLGQ LTDRDFSRLV DVASRLSEAP IYIDDTPDLT LMEVRARARR DATA SEQUENCE LVSQNQVGLI IIDYLQLMSG PXXXXXXXNR QQEIAAISRG LKALARELGI DATA SEQUENCE PIIALSQLSR AVEARPNKRP MLSDLRESGS IEQDADLVMF IYRDEYYNPH DATA SEQUENCE SEKAGIAEII VGKQRNGPTG TVELQFHASH VRFNDL 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.142 176.117 0.042 0.000 1.063 5 I CA 0.000 61.340 61.300 0.067 0.000 1.566 5 I CB 0.000 38.027 38.000 0.046 0.000 1.214 6 P HA 0.222 nan 4.420 nan 0.000 0.264 6 P C -2.610 174.631 177.300 -0.098 0.000 1.179 6 P CA -0.298 62.749 63.100 -0.089 0.000 0.763 6 P CB -0.275 31.325 31.700 -0.166 0.000 0.806 7 P HA 0.100 nan 4.420 nan 0.000 0.267 7 P C -0.127 177.134 177.300 -0.065 0.000 1.209 7 P CA 0.682 63.734 63.100 -0.080 0.000 0.763 7 P CB 0.239 31.903 31.700 -0.061 0.000 0.816 8 H N -0.277 118.685 119.070 -0.180 0.000 2.932 8 H HA 0.587 5.143 4.556 0.000 0.000 0.307 8 H C -1.687 173.627 175.328 -0.023 0.000 1.391 8 H CA -1.001 54.976 56.048 -0.117 0.000 1.130 8 H CB 0.831 30.483 29.762 -0.183 0.000 1.836 8 H HN 0.237 nan 8.280 nan 0.000 0.522 9 S N 1.101 116.842 115.700 0.069 0.000 2.461 9 S HA 0.219 4.689 4.470 0.000 0.000 0.216 9 S C 0.546 175.238 174.600 0.154 0.000 1.201 9 S CA -0.644 57.571 58.200 0.026 0.000 1.171 9 S CB 0.367 63.564 63.200 -0.005 0.000 1.169 9 S HN 0.539 nan 8.310 nan 0.000 0.456 10 L N 4.767 126.142 121.223 0.252 0.000 2.042 10 L HA 0.010 4.350 4.340 0.000 0.000 0.210 10 L C 2.135 179.105 176.870 0.167 0.000 1.076 10 L CA 2.146 57.164 54.840 0.298 0.000 0.749 10 L CB -0.283 41.965 42.059 0.316 0.000 0.893 10 L HN 0.754 nan 8.230 nan 0.000 0.432 11 E N -0.866 119.389 120.200 0.091 0.000 2.077 11 E HA -0.230 4.120 4.350 0.000 0.000 0.193 11 E C 2.179 178.743 176.600 -0.059 0.000 0.989 11 E CA 1.177 57.587 56.400 0.018 0.000 0.800 11 E CB -0.305 29.407 29.700 0.020 0.000 0.746 11 E HN 0.650 nan 8.360 nan 0.000 0.452 12 A N 1.163 123.974 122.820 -0.013 0.000 1.930 12 A HA -0.216 4.104 4.320 0.000 0.000 0.217 12 A C 1.900 179.441 177.584 -0.071 0.000 1.175 12 A CA 1.323 53.346 52.037 -0.024 0.000 0.627 12 A CB -0.336 18.694 19.000 0.049 0.000 0.815 12 A HN 0.152 nan 8.150 nan 0.000 0.443 13 E N -0.326 119.849 120.200 -0.042 0.000 2.077 13 E HA -0.239 4.111 4.350 0.000 0.000 0.193 13 E C 2.305 178.802 176.600 -0.171 0.000 0.989 13 E CA 1.476 57.846 56.400 -0.049 0.000 0.800 13 E CB -0.197 29.510 29.700 0.012 0.000 0.746 13 E HN 0.731 nan 8.360 nan 0.000 0.452 14 Q N 0.216 119.905 119.800 -0.185 0.000 2.050 14 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 14 Q C 2.398 178.300 176.000 -0.164 0.000 0.980 14 Q CA 1.447 57.160 55.803 -0.149 0.000 0.840 14 Q CB 0.004 28.715 28.738 -0.046 0.000 0.898 14 Q HN 0.102 nan 8.270 nan 0.000 0.424 15 S N 0.292 115.829 115.700 -0.271 0.000 2.370 15 S HA -0.133 4.337 4.470 0.000 0.000 0.226 15 S C 2.132 176.613 174.600 -0.198 0.000 1.033 15 S CA 1.154 59.091 58.200 -0.438 0.000 1.011 15 S CB -0.277 62.152 63.200 -1.284 0.000 0.852 15 S HN 0.136 nan 8.310 nan 0.000 0.457 16 V N 2.318 122.186 119.914 -0.076 0.000 2.237 16 V HA -0.171 3.949 4.120 0.000 0.000 0.245 16 V C 2.251 178.396 176.094 0.085 0.000 1.046 16 V CA 1.657 64.006 62.300 0.082 0.000 1.007 16 V CB -0.776 31.116 31.823 0.116 0.000 0.638 16 V HN 0.417 nan 8.190 nan 0.000 0.445 17 L N 0.255 121.508 121.223 0.050 0.000 2.012 17 L HA -0.132 4.208 4.340 0.000 0.000 0.210 17 L C 2.691 179.578 176.870 0.028 0.000 1.073 17 L CA 1.934 56.798 54.840 0.040 0.000 0.748 17 L CB -1.366 40.682 42.059 -0.019 0.000 0.891 17 L HN 0.503 nan 8.230 nan 0.000 0.431 18 G N -0.042 108.751 108.800 -0.012 0.000 2.440 18 G HA2 -0.304 3.656 3.960 0.000 0.000 0.218 18 G HA3 -0.304 3.656 3.960 0.000 0.000 0.218 18 G C 1.764 176.670 174.900 0.011 0.000 1.154 18 G CA 1.139 46.228 45.100 -0.019 0.000 0.767 18 G HN 0.525 nan 8.290 nan 0.000 0.552 19 S N 0.291 116.011 115.700 0.034 0.000 2.453 19 S HA 0.090 4.560 4.470 0.000 0.000 0.231 19 S C 2.264 176.904 174.600 0.066 0.000 1.005 19 S CA 0.660 58.900 58.200 0.067 0.000 0.949 19 S CB -0.231 63.048 63.200 0.132 0.000 0.774 19 S HN 0.369 nan 8.310 nan 0.000 0.510 20 I N 1.370 121.984 120.570 0.074 0.000 2.315 20 I HA -0.117 4.053 4.170 0.000 0.000 0.248 20 I C 2.283 178.426 176.117 0.044 0.000 1.117 20 I CA 1.066 62.409 61.300 0.072 0.000 1.404 20 I CB -0.405 37.655 38.000 0.100 0.000 1.071 20 I HN 0.274 nan 8.210 nan 0.000 0.419 21 L N -0.029 121.214 121.223 0.034 0.000 2.093 21 L HA -0.201 4.139 4.340 0.000 0.000 0.208 21 L C 2.459 179.338 176.870 0.015 0.000 1.085 21 L CA 0.833 55.685 54.840 0.020 0.000 0.755 21 L CB -0.432 41.635 42.059 0.013 0.000 0.904 21 L HN 0.290 nan 8.230 nan 0.000 0.435 22 L N -0.929 120.304 121.223 0.017 0.000 2.141 22 L HA -0.040 4.300 4.340 0.000 0.000 0.209 22 L C 0.372 177.249 176.870 0.011 0.000 1.094 22 L CA 1.408 56.255 54.840 0.012 0.000 0.763 22 L CB -0.467 41.600 42.059 0.013 0.000 0.908 22 L HN 0.317 nan 8.230 nan 0.000 0.437 23 D N -1.664 118.746 120.400 0.017 0.000 2.333 23 D HA 0.005 4.645 4.640 0.000 0.000 0.225 23 D C 0.819 177.133 176.300 0.024 0.000 1.345 23 D CA 0.191 54.200 54.000 0.015 0.000 0.971 23 D CB 1.285 42.091 40.800 0.010 0.000 1.451 23 D HN -0.005 nan 8.370 nan 0.000 0.561 24 S N 2.074 117.785 115.700 0.019 0.000 2.547 24 S HA -0.105 4.365 4.470 0.000 0.000 0.235 24 S C 0.894 175.508 174.600 0.024 0.000 0.980 24 S CA 0.683 58.895 58.200 0.021 0.000 0.941 24 S CB 0.132 63.338 63.200 0.010 0.000 0.763 24 S HN 0.289 nan 8.310 nan 0.000 0.532 25 D N 1.927 122.340 120.400 0.023 0.000 2.269 25 D HA -0.027 4.613 4.640 0.000 0.000 0.208 25 D C 2.107 178.430 176.300 0.038 0.000 0.963 25 D CA 1.090 55.105 54.000 0.026 0.000 0.864 25 D CB -0.347 40.465 40.800 0.020 0.000 0.936 25 D HN 0.532 nan 8.370 nan 0.000 0.505 26 V N -1.156 118.785 119.914 0.045 0.000 2.913 26 V HA -0.187 3.933 4.120 0.000 0.000 0.260 26 V C 2.081 178.221 176.094 0.077 0.000 1.098 26 V CA 0.972 63.309 62.300 0.062 0.000 1.121 26 V CB -0.640 31.224 31.823 0.069 0.000 0.714 26 V HN -0.002 nan 8.190 nan 0.000 0.487 27 M N 1.233 120.875 119.600 0.070 0.000 2.144 27 M HA -0.201 4.279 4.480 0.000 0.000 0.260 27 M C 1.726 178.065 176.300 0.065 0.000 1.067 27 M CA 2.254 57.598 55.300 0.074 0.000 1.095 27 M CB -0.804 31.820 32.600 0.040 0.000 1.365 27 M HN 0.470 nan 8.290 nan 0.000 0.406 28 D N -0.202 120.232 120.400 0.057 0.000 2.103 28 D HA -0.230 4.410 4.640 0.000 0.000 0.190 28 D C 1.897 178.241 176.300 0.072 0.000 0.997 28 D CA 1.876 55.914 54.000 0.065 0.000 0.833 28 D CB -0.276 40.572 40.800 0.079 0.000 0.961 28 D HN 0.573 nan 8.370 nan 0.000 0.447 29 E N 0.094 120.346 120.200 0.087 0.000 2.023 29 E HA -0.158 4.192 4.350 0.000 0.000 0.196 29 E C 2.304 178.953 176.600 0.081 0.000 1.003 29 E CA 0.999 57.455 56.400 0.093 0.000 0.809 29 E CB 0.122 29.876 29.700 0.089 0.000 0.755 29 E HN 0.006 nan 8.360 nan 0.000 0.449 30 V N 1.292 121.264 119.914 0.097 0.000 2.332 30 V HA -0.260 3.860 4.120 0.000 0.000 0.248 30 V C 2.086 178.253 176.094 0.122 0.000 1.055 30 V CA 2.028 64.397 62.300 0.116 0.000 1.038 30 V CB -0.528 31.397 31.823 0.170 0.000 0.651 30 V HN 0.295 nan 8.190 nan 0.000 0.450 31 E N 0.263 120.531 120.200 0.113 0.000 2.204 31 E HA -0.151 4.199 4.350 0.000 0.000 0.195 31 E C 2.313 178.892 176.600 -0.036 0.000 0.990 31 E CA 1.078 57.531 56.400 0.087 0.000 0.821 31 E CB -0.404 29.308 29.700 0.020 0.000 0.750 31 E HN 0.682 nan 8.360 nan 0.000 0.477 32 G N 1.367 110.099 108.800 -0.114 0.000 2.459 32 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 32 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 32 G C 1.548 176.449 174.900 0.001 0.000 1.183 32 G CA 0.547 45.550 45.100 -0.162 0.000 0.776 32 G HN 0.112 nan 8.290 nan 0.000 0.552 33 L N -0.521 120.724 121.223 0.036 0.000 2.270 33 L HA 0.294 4.634 4.340 0.000 0.000 0.210 33 L C 0.736 177.630 176.870 0.039 0.000 1.104 33 L CA 0.309 55.177 54.840 0.047 0.000 0.804 33 L CB 0.024 42.103 42.059 0.033 0.000 0.937 33 L HN 0.067 nan 8.230 nan 0.000 0.450 34 L N 0.282 121.523 121.223 0.030 0.000 2.495 34 L HA 0.245 4.585 4.340 0.000 0.000 0.248 34 L C -1.843 175.104 176.870 0.129 0.000 1.229 34 L CA -1.201 53.633 54.840 -0.009 0.000 0.942 34 L CB 1.053 42.992 42.059 -0.200 0.000 1.242 34 L HN -0.148 nan 8.230 nan 0.000 0.484 35 P HA -0.071 nan 4.420 nan 0.000 0.217 35 P C 0.631 178.029 177.300 0.163 0.000 1.151 35 P CA 0.788 63.965 63.100 0.129 0.000 0.828 35 P CB 0.383 32.149 31.700 0.111 0.000 0.788 36 S N -1.156 114.610 115.700 0.110 0.000 2.454 36 S HA 0.426 4.896 4.470 0.000 0.000 0.306 36 S C -1.991 172.633 174.600 0.041 0.000 1.100 36 S CA -2.044 56.199 58.200 0.072 0.000 1.087 36 S CB 0.912 64.141 63.200 0.049 0.000 1.019 36 S HN -0.222 nan 8.310 nan 0.000 0.480 37 P HA -0.104 nan 4.420 nan 0.000 0.218 37 P C 1.019 178.352 177.300 0.055 0.000 1.146 37 P CA 0.920 64.207 63.100 0.311 0.000 0.813 37 P CB 0.129 31.960 31.700 0.218 0.000 0.778 38 E N -0.511 119.608 120.200 -0.135 0.000 2.331 38 E HA -0.162 4.188 4.350 0.000 0.000 0.199 38 E C 1.930 178.085 176.600 -0.741 0.000 1.008 38 E CA 1.137 57.393 56.400 -0.239 0.000 0.843 38 E CB -0.700 28.978 29.700 -0.036 0.000 0.761 38 E HN 0.249 nan 8.360 nan 0.000 0.507 39 A N 0.713 122.804 122.820 -1.215 0.000 1.972 39 A HA -0.121 4.199 4.320 0.000 0.000 0.219 39 A C 0.854 178.012 177.584 -0.711 0.000 1.169 39 A CA 0.545 51.681 52.037 -1.503 0.000 0.635 39 A CB -0.466 17.858 19.000 -1.127 0.000 0.810 39 A HN 0.079 nan 8.150 nan 0.000 0.446 40 F N -1.298 118.437 119.950 -0.359 0.000 2.467 40 F HA 0.270 4.797 4.527 0.000 0.000 0.362 40 F C 1.110 176.918 175.800 0.013 0.000 1.090 40 F CA -0.054 57.875 58.000 -0.118 0.000 1.202 40 F CB 0.355 39.306 39.000 -0.081 0.000 1.113 40 F HN 0.290 nan 8.300 nan 0.000 0.541 41 Y N 3.072 123.436 120.300 0.106 0.000 2.243 41 Y HA 0.182 4.732 4.550 0.000 0.000 0.293 41 Y C 1.338 177.253 175.900 0.026 0.000 1.124 41 Y CA 0.403 58.530 58.100 0.045 0.000 1.159 41 Y CB 0.043 38.498 38.460 -0.008 0.000 1.008 41 Y HN 0.535 nan 8.280 nan 0.000 0.527 42 A N 1.145 123.960 122.820 -0.008 0.000 2.454 42 A HA 0.057 4.377 4.320 0.000 0.000 0.260 42 A C 1.121 178.603 177.584 -0.171 0.000 1.106 42 A CA 0.106 52.019 52.037 -0.207 0.000 0.780 42 A CB 0.262 19.139 19.000 -0.206 0.000 1.044 42 A HN 0.596 nan 8.150 nan 0.000 0.498 43 E N 3.381 123.439 120.200 -0.237 0.000 2.114 43 E HA -0.225 4.125 4.350 0.000 0.000 0.199 43 E C 1.957 178.453 176.600 -0.174 0.000 1.008 43 E CA 2.471 58.768 56.400 -0.172 0.000 0.810 43 E CB -0.270 29.326 29.700 -0.173 0.000 0.739 43 E HN 0.798 nan 8.360 nan 0.000 0.456 44 A N 0.005 122.666 122.820 -0.265 0.000 1.841 44 A HA -0.263 4.057 4.320 0.000 0.000 0.216 44 A C 2.080 179.524 177.584 -0.233 0.000 1.199 44 A CA 2.104 53.953 52.037 -0.314 0.000 0.621 44 A CB -1.284 17.404 19.000 -0.520 0.000 0.835 44 A HN 0.594 nan 8.150 nan 0.000 0.445 45 H N -1.488 117.479 119.070 -0.172 0.000 2.426 45 H HA -0.124 4.432 4.556 0.000 0.000 0.298 45 H C 2.374 177.470 175.328 -0.387 0.000 1.107 45 H CA 1.391 57.293 56.048 -0.244 0.000 1.298 45 H CB 0.001 29.690 29.762 -0.121 0.000 1.377 45 H HN 0.426 nan 8.280 nan 0.000 0.519 46 R N 1.074 121.525 120.500 -0.082 0.000 2.092 46 R HA -0.102 4.238 4.340 0.000 0.000 0.231 46 R C 1.831 178.093 176.300 -0.063 0.000 1.119 46 R CA 1.290 57.358 56.100 -0.054 0.000 0.970 46 R CB 0.159 30.468 30.300 0.015 0.000 0.864 46 R HN 0.285 nan 8.270 nan 0.000 0.440 47 K N -0.124 120.227 120.400 -0.081 0.000 2.031 47 K HA -0.095 4.225 4.320 0.000 0.000 0.205 47 K C 1.995 178.548 176.600 -0.078 0.000 1.049 47 K CA 1.295 57.537 56.287 -0.075 0.000 0.939 47 K CB -0.137 32.312 32.500 -0.085 0.000 0.717 47 K HN 0.047 nan 8.250 nan 0.000 0.438 48 I N 0.283 120.801 120.570 -0.087 0.000 2.091 48 I HA -0.339 3.831 4.170 0.000 0.000 0.239 48 I C 2.287 178.355 176.117 -0.081 0.000 1.061 48 I CA 1.506 62.765 61.300 -0.067 0.000 1.317 48 I CB -0.397 37.589 38.000 -0.025 0.000 1.031 48 I HN 0.121 nan 8.210 nan 0.000 0.401 49 Y N 1.261 121.375 120.300 -0.310 0.000 2.128 49 Y HA -0.330 4.220 4.550 0.000 0.000 0.284 49 Y C 2.473 178.285 175.900 -0.146 0.000 1.154 49 Y CA 1.465 59.383 58.100 -0.304 0.000 1.149 49 Y CB -0.722 37.393 38.460 -0.575 0.000 0.976 49 Y HN 0.169 nan 8.280 nan 0.000 0.505 50 A N 0.014 122.762 122.820 -0.120 0.000 1.940 50 A HA -0.160 4.160 4.320 0.000 0.000 0.219 50 A C 2.411 179.901 177.584 -0.157 0.000 1.176 50 A CA 2.054 54.009 52.037 -0.138 0.000 0.631 50 A CB -1.405 17.561 19.000 -0.055 0.000 0.814 50 A HN 0.571 nan 8.150 nan 0.000 0.446 51 A N -0.598 122.144 122.820 -0.129 0.000 1.968 51 A HA 0.003 4.323 4.320 0.000 0.000 0.217 51 A C 2.187 179.695 177.584 -0.128 0.000 1.169 51 A CA 1.490 53.464 52.037 -0.106 0.000 0.638 51 A CB -0.497 18.458 19.000 -0.074 0.000 0.812 51 A HN 0.543 nan 8.150 nan 0.000 0.446 52 M N -0.768 118.727 119.600 -0.174 0.000 2.229 52 M HA -0.168 4.312 4.480 0.000 0.000 0.264 52 M C 2.263 178.433 176.300 -0.217 0.000 1.063 52 M CA 1.235 56.431 55.300 -0.173 0.000 1.114 52 M CB -0.437 32.060 32.600 -0.171 0.000 1.387 52 M HN 0.467 nan 8.290 nan 0.000 0.420 53 Q N 0.491 120.102 119.800 -0.314 0.000 2.049 53 Q HA -0.048 4.292 4.340 0.000 0.000 0.198 53 Q C 2.434 178.344 176.000 -0.150 0.000 0.971 53 Q CA 1.479 57.122 55.803 -0.267 0.000 0.833 53 Q CB -0.273 28.266 28.738 -0.332 0.000 0.896 53 Q HN 0.584 nan 8.270 nan 0.000 0.434 54 A N 1.265 124.009 122.820 -0.128 0.000 1.948 54 A HA -0.182 4.138 4.320 0.000 0.000 0.220 54 A C 2.101 179.644 177.584 -0.069 0.000 1.177 54 A CA 1.189 53.176 52.037 -0.083 0.000 0.636 54 A CB -0.751 18.206 19.000 -0.071 0.000 0.815 54 A HN 0.285 nan 8.150 nan 0.000 0.449 55 L N -1.401 119.777 121.223 -0.075 0.000 2.131 55 L HA -0.157 4.183 4.340 0.000 0.000 0.210 55 L C 2.881 179.721 176.870 -0.050 0.000 1.092 55 L CA 1.161 55.967 54.840 -0.056 0.000 0.759 55 L CB -0.363 41.664 42.059 -0.053 0.000 0.903 55 L HN 0.361 nan 8.230 nan 0.000 0.435 56 R N -0.994 119.468 120.500 -0.062 0.000 2.093 56 R HA -0.089 4.251 4.340 0.000 0.000 0.224 56 R C 2.459 178.734 176.300 -0.042 0.000 1.101 56 R CA 1.254 57.324 56.100 -0.049 0.000 0.979 56 R CB -0.254 30.013 30.300 -0.056 0.000 0.877 56 R HN 0.215 nan 8.270 nan 0.000 0.441 57 S N 0.592 116.262 115.700 -0.050 0.000 2.500 57 S HA -0.133 4.337 4.470 0.000 0.000 0.239 57 S C 1.346 175.928 174.600 -0.030 0.000 0.989 57 S CA 1.184 59.361 58.200 -0.039 0.000 0.951 57 S CB 0.136 63.310 63.200 -0.044 0.000 0.759 57 S HN 0.352 nan 8.310 nan 0.000 0.523 58 Q N -0.938 118.843 119.800 -0.031 0.000 2.189 58 Q HA 0.337 4.677 4.340 0.000 0.000 0.223 58 Q C 1.236 177.222 176.000 -0.022 0.000 0.828 58 Q CA 0.289 56.077 55.803 -0.025 0.000 0.967 58 Q CB 0.743 29.465 28.738 -0.026 0.000 1.139 58 Q HN 0.562 nan 8.270 nan 0.000 0.497 59 G N 2.541 111.327 108.800 -0.024 0.000 2.168 59 G HA2 -0.350 3.610 3.960 0.000 0.000 0.263 59 G HA3 -0.350 3.610 3.960 0.000 0.000 0.263 59 G C -0.030 174.859 174.900 -0.018 0.000 0.977 59 G CA 0.445 45.533 45.100 -0.020 0.000 0.659 59 G HN 0.364 nan 8.290 nan 0.000 0.533 60 R N 0.078 120.566 120.500 -0.020 0.000 2.254 60 R HA 0.534 4.874 4.340 0.000 0.000 0.318 60 R C -2.727 173.563 176.300 -0.018 0.000 1.031 60 R CA -2.079 54.010 56.100 -0.018 0.000 0.905 60 R CB 0.685 30.974 30.300 -0.018 0.000 1.050 60 R HN 0.027 nan 8.270 nan 0.000 0.456 61 P HA -0.128 nan 4.420 nan 0.000 0.261 61 P C -0.461 176.831 177.300 -0.013 0.000 1.165 61 P CA 0.153 63.246 63.100 -0.011 0.000 0.759 61 P CB 0.350 32.045 31.700 -0.007 0.000 0.772 62 V N 4.717 124.623 119.914 -0.012 0.000 2.353 62 V HA 0.270 4.390 4.120 0.000 0.000 0.264 62 V C 0.535 176.627 176.094 -0.004 0.000 1.049 62 V CA 0.209 62.501 62.300 -0.014 0.000 0.896 62 V CB 0.321 32.134 31.823 -0.018 0.000 1.025 62 V HN 0.691 nan 8.190 nan 0.000 0.475 63 D N 4.022 124.419 120.400 -0.005 0.000 2.744 63 D HA 0.211 4.851 4.640 0.000 0.000 0.304 63 D C 0.641 176.942 176.300 0.001 0.000 1.179 63 D CA -0.886 53.114 54.000 0.000 0.000 1.024 63 D CB 1.427 42.227 40.800 -0.001 0.000 1.453 63 D HN 0.078 nan 8.370 nan 0.000 0.529 64 L N 0.272 121.496 121.223 0.003 0.000 2.127 64 L HA -0.086 4.254 4.340 0.000 0.000 0.211 64 L C 2.084 178.955 176.870 0.003 0.000 1.089 64 L CA 1.533 56.376 54.840 0.005 0.000 0.757 64 L CB -0.429 41.633 42.059 0.005 0.000 0.899 64 L HN 0.494 nan 8.230 nan 0.000 0.434 65 V N -1.250 118.664 119.914 -0.000 0.000 2.283 65 V HA -0.234 3.886 4.120 0.000 0.000 0.243 65 V C 2.561 178.652 176.094 -0.005 0.000 1.039 65 V CA 1.956 64.255 62.300 -0.002 0.000 1.016 65 V CB -1.391 30.430 31.823 -0.003 0.000 0.650 65 V HN 0.661 nan 8.190 nan 0.000 0.449 66 T N -0.959 113.590 114.554 -0.007 0.000 2.867 66 T HA -0.140 4.210 4.350 0.000 0.000 0.268 66 T C 1.894 176.585 174.700 -0.015 0.000 1.057 66 T CA 1.476 63.569 62.100 -0.012 0.000 1.136 66 T CB -0.379 68.480 68.868 -0.014 0.000 0.874 66 T HN 0.233 nan 8.240 nan 0.000 0.466 67 L N 1.957 123.172 121.223 -0.012 0.000 2.056 67 L HA 0.072 4.412 4.340 0.000 0.000 0.207 67 L C 2.576 179.439 176.870 -0.012 0.000 1.078 67 L CA 1.681 56.513 54.840 -0.015 0.000 0.749 67 L CB -1.112 40.943 42.059 -0.007 0.000 0.901 67 L HN 0.283 nan 8.230 nan 0.000 0.433 68 S N -0.516 115.181 115.700 -0.005 0.000 2.368 68 S HA -0.200 4.270 4.470 0.000 0.000 0.225 68 S C 1.857 176.451 174.600 -0.011 0.000 1.030 68 S CA 1.227 59.424 58.200 -0.005 0.000 0.999 68 S CB -0.436 62.764 63.200 -0.000 0.000 0.844 68 S HN 0.513 nan 8.310 nan 0.000 0.459 69 E N 1.095 121.288 120.200 -0.012 0.000 2.058 69 E HA -0.211 4.139 4.350 0.000 0.000 0.194 69 E C 2.171 178.761 176.600 -0.018 0.000 0.997 69 E CA 1.350 57.742 56.400 -0.014 0.000 0.801 69 E CB -0.151 29.541 29.700 -0.013 0.000 0.746 69 E HN 0.430 nan 8.360 nan 0.000 0.450 70 E N 0.463 120.650 120.200 -0.022 0.000 2.072 70 E HA -0.078 4.272 4.350 0.000 0.000 0.190 70 E C 2.329 178.911 176.600 -0.029 0.000 0.982 70 E CA 0.746 57.130 56.400 -0.027 0.000 0.803 70 E CB -0.324 29.356 29.700 -0.034 0.000 0.755 70 E HN 0.226 nan 8.360 nan 0.000 0.453 71 L N -0.239 120.967 121.223 -0.028 0.000 1.988 71 L HA -0.140 4.200 4.340 0.000 0.000 0.207 71 L C 2.602 179.455 176.870 -0.028 0.000 1.071 71 L CA 1.524 56.346 54.840 -0.031 0.000 0.744 71 L CB -0.712 41.330 42.059 -0.029 0.000 0.893 71 L HN 0.151 nan 8.230 nan 0.000 0.433 72 S N -0.524 115.162 115.700 -0.023 0.000 2.419 72 S HA -0.224 4.246 4.470 0.000 0.000 0.235 72 S C 2.141 176.728 174.600 -0.021 0.000 1.019 72 S CA 1.266 59.454 58.200 -0.021 0.000 0.982 72 S CB -0.242 62.948 63.200 -0.016 0.000 0.789 72 S HN 0.295 nan 8.310 nan 0.000 0.490 73 R N 0.493 120.981 120.500 -0.021 0.000 2.070 73 R HA -0.047 4.293 4.340 0.000 0.000 0.232 73 R C 2.345 178.632 176.300 -0.022 0.000 1.138 73 R CA 1.635 57.723 56.100 -0.020 0.000 0.936 73 R CB -0.309 29.979 30.300 -0.020 0.000 0.839 73 R HN 0.332 nan 8.270 nan 0.000 0.429 74 R N -1.189 119.296 120.500 -0.026 0.000 2.148 74 R HA -0.008 4.332 4.340 0.000 0.000 0.227 74 R C 1.411 177.694 176.300 -0.028 0.000 1.103 74 R CA 1.111 57.194 56.100 -0.027 0.000 0.983 74 R CB 0.027 30.308 30.300 -0.032 0.000 0.874 74 R HN 0.682 nan 8.270 nan 0.000 0.451 75 G N -0.372 108.410 108.800 -0.029 0.000 2.211 75 G HA2 -0.236 3.724 3.960 0.000 0.000 0.201 75 G HA3 -0.236 3.724 3.960 0.000 0.000 0.201 75 G C 0.568 175.446 174.900 -0.036 0.000 0.997 75 G CA -0.008 45.074 45.100 -0.029 0.000 0.652 75 G HN 0.312 nan 8.290 nan 0.000 0.500 76 Q N -0.016 119.758 119.800 -0.042 0.000 2.365 76 Q HA 0.461 4.801 4.340 0.000 0.000 0.203 76 Q C 2.193 178.160 176.000 -0.055 0.000 0.929 76 Q CA 0.379 56.150 55.803 -0.054 0.000 0.948 76 Q CB 0.117 28.816 28.738 -0.065 0.000 1.043 76 Q HN 0.488 nan 8.270 nan 0.000 0.505 77 L N 0.871 122.069 121.223 -0.041 0.000 2.137 77 L HA -0.256 4.084 4.340 0.000 0.000 0.213 77 L C 1.429 178.277 176.870 -0.036 0.000 1.085 77 L CA 1.954 56.774 54.840 -0.032 0.000 0.760 77 L CB 0.014 42.061 42.059 -0.020 0.000 0.893 77 L HN 0.193 nan 8.230 nan 0.000 0.434 78 E N -1.266 118.909 120.200 -0.042 0.000 2.140 78 E HA -0.129 4.221 4.350 0.000 0.000 0.191 78 E C 2.008 178.565 176.600 -0.072 0.000 0.973 78 E CA 0.692 57.065 56.400 -0.045 0.000 0.829 78 E CB 0.019 29.698 29.700 -0.036 0.000 0.781 78 E HN 0.418 nan 8.360 nan 0.000 0.466 79 E N 0.235 120.386 120.200 -0.082 0.000 2.097 79 E HA -0.191 4.159 4.350 0.000 0.000 0.196 79 E C 2.134 178.634 176.600 -0.167 0.000 1.000 79 E CA 1.595 57.928 56.400 -0.110 0.000 0.804 79 E CB -0.176 29.464 29.700 -0.100 0.000 0.740 79 E HN 0.291 nan 8.360 nan 0.000 0.454 80 V N -3.509 116.303 119.914 -0.169 0.000 3.141 80 V HA 0.214 4.334 4.120 0.000 0.000 0.265 80 V C 1.446 177.317 176.094 -0.371 0.000 1.126 80 V CA 1.206 63.350 62.300 -0.259 0.000 1.141 80 V CB -0.250 31.475 31.823 -0.163 0.000 0.743 80 V HN 0.328 nan 8.190 nan 0.000 0.492 81 G N -1.813 106.864 108.800 -0.206 0.000 2.198 81 G HA2 0.342 4.302 3.960 0.000 0.000 0.156 81 G HA3 0.342 4.302 3.960 0.000 0.000 0.156 81 G C 0.961 175.880 174.900 0.032 0.000 1.012 81 G CA -0.005 45.025 45.100 -0.116 0.000 0.692 81 G HN 2.155 nan 8.290 nan 0.000 0.492 82 G N -1.139 107.666 108.800 0.009 0.000 2.860 82 G HA2 0.200 4.160 3.960 0.000 0.000 0.553 82 G HA3 0.200 4.160 3.960 0.000 0.000 0.553 82 G C 1.088 176.026 174.900 0.064 0.000 1.439 82 G CA 0.914 46.032 45.100 0.029 0.000 0.879 82 G HN 1.868 nan 8.290 nan 0.000 0.545 83 T N -2.038 112.541 114.554 0.043 0.000 3.007 83 T HA 0.251 4.601 4.350 0.000 0.000 0.270 83 T C 2.513 177.244 174.700 0.052 0.000 1.107 83 T CA 2.093 64.219 62.100 0.044 0.000 1.118 83 T CB -0.177 68.705 68.868 0.023 0.000 0.889 83 T HN 2.012 nan 8.240 nan 0.000 0.506 84 A N 0.453 123.308 122.820 0.058 0.000 1.930 84 A HA 0.037 4.357 4.320 0.000 0.000 0.217 84 A C 2.086 179.712 177.584 0.069 0.000 1.175 84 A CA 1.202 53.270 52.037 0.051 0.000 0.627 84 A CB -1.117 17.912 19.000 0.048 0.000 0.815 84 A HN 0.595 nan 8.150 nan 0.000 0.443 85 Y N 0.544 120.843 120.300 -0.003 0.000 2.200 85 Y HA -0.125 4.425 4.550 0.000 0.000 0.290 85 Y C 1.996 177.904 175.900 0.012 0.000 1.137 85 Y CA 1.688 59.790 58.100 0.004 0.000 1.163 85 Y CB -0.182 38.275 38.460 -0.005 0.000 0.988 85 Y HN 0.222 nan 8.280 nan 0.000 0.518 86 L N -0.606 120.715 121.223 0.163 0.000 2.012 86 L HA -0.290 4.050 4.340 0.000 0.000 0.210 86 L C 2.434 179.303 176.870 -0.002 0.000 1.073 86 L CA 1.462 56.354 54.840 0.086 0.000 0.748 86 L CB -0.891 41.215 42.059 0.078 0.000 0.891 86 L HN 0.283 nan 8.230 nan 0.000 0.431 87 L N -0.665 120.554 121.223 -0.006 0.000 2.013 87 L HA -0.295 4.045 4.340 0.000 0.000 0.212 87 L C 2.833 179.665 176.870 -0.064 0.000 1.073 87 L CA 1.511 56.336 54.840 -0.026 0.000 0.753 87 L CB -0.540 41.511 42.059 -0.014 0.000 0.890 87 L HN 0.367 nan 8.230 nan 0.000 0.432 88 Q N -0.404 119.327 119.800 -0.113 0.000 2.170 88 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 88 Q C 2.372 178.256 176.000 -0.194 0.000 0.976 88 Q CA 1.268 56.970 55.803 -0.167 0.000 0.858 88 Q CB -0.133 28.460 28.738 -0.241 0.000 0.907 88 Q HN 0.560 nan 8.270 nan 0.000 0.433 89 L N 0.052 121.140 121.223 -0.226 0.000 2.083 89 L HA -0.194 4.146 4.340 0.000 0.000 0.209 89 L C 2.434 179.253 176.870 -0.086 0.000 1.083 89 L CA 0.856 55.599 54.840 -0.162 0.000 0.752 89 L CB -0.358 41.639 42.059 -0.102 0.000 0.899 89 L HN 0.150 nan 8.230 nan 0.000 0.433 90 S N 0.309 115.973 115.700 -0.060 0.000 2.343 90 S HA -0.223 4.247 4.470 0.000 0.000 0.219 90 S C 1.761 176.343 174.600 -0.031 0.000 1.033 90 S CA 1.830 60.011 58.200 -0.032 0.000 1.014 90 S CB -0.396 62.791 63.200 -0.021 0.000 0.915 90 S HN 0.607 nan 8.310 nan 0.000 0.435 91 E N 2.050 122.228 120.200 -0.037 0.000 2.150 91 E HA 0.040 4.390 4.350 0.000 0.000 0.193 91 E C 1.887 178.469 176.600 -0.030 0.000 0.985 91 E CA 0.877 57.260 56.400 -0.028 0.000 0.814 91 E CB -0.373 29.311 29.700 -0.028 0.000 0.752 91 E HN 0.464 nan 8.360 nan 0.000 0.466 92 A N 1.043 123.831 122.820 -0.053 0.000 2.259 92 A HA -0.059 4.261 4.320 0.000 0.000 0.212 92 A C 1.132 178.691 177.584 -0.043 0.000 1.178 92 A CA 1.316 53.319 52.037 -0.057 0.000 0.734 92 A CB -0.283 18.663 19.000 -0.091 0.000 0.774 92 A HN 0.268 nan 8.150 nan 0.000 0.481 93 T N -1.684 112.857 114.554 -0.022 0.000 3.032 93 T HA 0.491 4.841 4.350 0.000 0.000 0.312 93 T C -2.495 172.230 174.700 0.041 0.000 1.078 93 T CA -1.029 61.079 62.100 0.014 0.000 1.028 93 T CB 1.931 70.796 68.868 -0.006 0.000 1.091 93 T HN -0.011 nan 8.240 nan 0.000 0.457 94 P HA 0.232 nan 4.420 nan 0.000 0.235 94 P C 0.261 177.590 177.300 0.050 0.000 1.177 94 P CA 0.277 63.414 63.100 0.062 0.000 0.785 94 P CB 0.258 32.005 31.700 0.079 0.000 0.885 95 T N -1.829 112.765 114.554 0.067 0.000 2.716 95 T HA 0.659 5.009 4.350 0.000 0.000 0.286 95 T C 0.448 175.150 174.700 0.002 0.000 1.052 95 T CA -0.108 61.983 62.100 -0.014 0.000 1.024 95 T CB 1.638 70.409 68.868 -0.162 0.000 1.349 95 T HN -0.171 nan 8.240 nan 0.000 0.525 96 A N -0.475 122.308 122.820 -0.062 0.000 2.390 96 A HA 0.701 5.021 4.320 0.000 0.000 0.225 96 A C 1.952 179.494 177.584 -0.070 0.000 1.232 96 A CA 0.673 52.702 52.037 -0.013 0.000 0.964 96 A CB -0.514 18.483 19.000 -0.004 0.000 1.064 96 A HN 0.918 nan 8.150 nan 0.000 0.525 97 A N -0.756 121.910 122.820 -0.256 0.000 2.178 97 A HA -0.018 4.302 4.320 0.000 0.000 0.218 97 A C 1.390 178.790 177.584 -0.306 0.000 1.157 97 A CA 1.238 53.066 52.037 -0.348 0.000 0.689 97 A CB -0.800 17.889 19.000 -0.520 0.000 0.787 97 A HN 0.659 nan 8.150 nan 0.000 0.465 98 Y N -1.717 118.620 120.300 0.063 0.000 2.507 98 Y HA 0.401 4.951 4.550 0.000 0.000 0.254 98 Y C 2.260 178.209 175.900 0.082 0.000 1.171 98 Y CA -0.245 57.857 58.100 0.004 0.000 1.238 98 Y CB -0.124 38.261 38.460 -0.124 0.000 1.148 98 Y HN 0.284 nan 8.280 nan 0.000 0.525 99 A N 1.147 124.111 122.820 0.239 0.000 1.882 99 A HA -0.367 3.953 4.320 0.000 0.000 0.220 99 A C 2.044 179.744 177.584 0.193 0.000 1.253 99 A CA 2.522 54.702 52.037 0.238 0.000 0.664 99 A CB -0.758 18.334 19.000 0.152 0.000 0.838 99 A HN 0.545 nan 8.150 nan 0.000 0.460 100 E N -1.837 118.444 120.200 0.136 0.000 2.086 100 E HA -0.347 4.003 4.350 0.000 0.000 0.205 100 E C 1.923 178.567 176.600 0.072 0.000 1.027 100 E CA 1.935 58.394 56.400 0.099 0.000 0.830 100 E CB -0.316 29.438 29.700 0.090 0.000 0.751 100 E HN 0.893 nan 8.360 nan 0.000 0.456 101 H N -0.709 118.337 119.070 -0.041 0.000 2.289 101 H HA -0.194 4.362 4.556 0.000 0.000 0.296 101 H C 1.776 177.016 175.328 -0.148 0.000 1.091 101 H CA 2.311 58.265 56.048 -0.157 0.000 1.274 101 H CB -0.463 29.106 29.762 -0.323 0.000 1.364 101 H HN 0.258 nan 8.280 nan 0.000 0.490 102 Y N -0.305 119.972 120.300 -0.037 0.000 2.293 102 Y HA -0.073 4.477 4.550 0.000 0.000 0.291 102 Y C 2.809 178.627 175.900 -0.137 0.000 1.137 102 Y CA 0.439 58.468 58.100 -0.118 0.000 1.202 102 Y CB -0.254 38.231 38.460 0.042 0.000 0.990 102 Y HN 0.425 nan 8.280 nan 0.000 0.537 103 A N 0.427 123.280 122.820 0.054 0.000 1.930 103 A HA -0.202 4.118 4.320 0.000 0.000 0.217 103 A C 2.186 179.728 177.584 -0.069 0.000 1.175 103 A CA 1.594 53.615 52.037 -0.025 0.000 0.627 103 A CB -0.631 18.378 19.000 0.013 0.000 0.815 103 A HN 0.413 nan 8.150 nan 0.000 0.443 104 R N -0.319 120.136 120.500 -0.074 0.000 2.096 104 R HA -0.125 4.215 4.340 0.000 0.000 0.235 104 R C 1.853 178.095 176.300 -0.097 0.000 1.127 104 R CA 1.657 57.712 56.100 -0.076 0.000 0.968 104 R CB -0.306 29.945 30.300 -0.082 0.000 0.861 104 R HN 0.479 nan 8.270 nan 0.000 0.440 105 I N 0.235 120.715 120.570 -0.150 0.000 2.142 105 I HA -0.230 3.940 4.170 0.000 0.000 0.240 105 I C 2.372 178.440 176.117 -0.081 0.000 1.078 105 I CA 1.222 62.450 61.300 -0.120 0.000 1.343 105 I CB -1.316 36.611 38.000 -0.121 0.000 1.046 105 I HN 0.045 nan 8.210 nan 0.000 0.405 106 V N 1.584 121.431 119.914 -0.111 0.000 2.332 106 V HA -0.265 3.855 4.120 0.000 0.000 0.248 106 V C 2.904 178.935 176.094 -0.106 0.000 1.055 106 V CA 1.851 64.047 62.300 -0.172 0.000 1.038 106 V CB -1.252 30.340 31.823 -0.384 0.000 0.651 106 V HN 0.480 nan 8.190 nan 0.000 0.450 107 A N -0.306 122.473 122.820 -0.068 0.000 1.865 107 A HA -0.267 4.053 4.320 0.000 0.000 0.217 107 A C 2.200 179.850 177.584 0.109 0.000 1.191 107 A CA 2.051 54.125 52.037 0.062 0.000 0.623 107 A CB -0.522 18.506 19.000 0.046 0.000 0.826 107 A HN 0.621 nan 8.150 nan 0.000 0.444 108 E N -0.331 119.887 120.200 0.030 0.000 2.077 108 E HA -0.176 4.174 4.350 0.000 0.000 0.193 108 E C 1.965 178.579 176.600 0.023 0.000 0.989 108 E CA 1.117 57.524 56.400 0.013 0.000 0.800 108 E CB -0.111 29.578 29.700 -0.018 0.000 0.746 108 E HN 0.346 nan 8.360 nan 0.000 0.452 109 K N 0.275 120.691 120.400 0.027 0.000 2.152 109 K HA -0.184 4.136 4.320 0.000 0.000 0.206 109 K C 1.699 178.365 176.600 0.109 0.000 1.048 109 K CA 0.852 57.159 56.287 0.034 0.000 0.933 109 K CB -0.446 32.065 32.500 0.019 0.000 0.721 109 K HN 0.299 nan 8.250 nan 0.000 0.447 110 W N 2.481 123.739 121.300 -0.070 0.000 2.379 110 W HA -0.139 4.521 4.660 0.000 0.000 0.307 110 W C 1.865 178.364 176.519 -0.034 0.000 1.200 110 W CA 1.870 59.186 57.345 -0.050 0.000 1.297 110 W CB -0.814 28.607 29.460 -0.064 0.000 1.140 110 W HN 0.020 nan 8.180 nan 0.000 0.507 111 T N 1.933 116.414 114.554 -0.122 0.000 2.653 111 T HA -0.302 4.048 4.350 0.000 0.000 0.268 111 T C 2.018 176.608 174.700 -0.184 0.000 1.035 111 T CA 2.231 64.170 62.100 -0.269 0.000 1.154 111 T CB -0.864 67.915 68.868 -0.149 0.000 0.862 111 T HN 0.175 nan 8.240 nan 0.000 0.441 112 L N 0.295 121.464 121.223 -0.089 0.000 2.042 112 L HA -0.145 4.195 4.340 0.000 0.000 0.210 112 L C 2.969 179.802 176.870 -0.062 0.000 1.076 112 L CA 1.495 56.295 54.840 -0.066 0.000 0.749 112 L CB -0.485 41.550 42.059 -0.040 0.000 0.893 112 L HN 0.224 nan 8.230 nan 0.000 0.432 113 R N -0.573 119.904 120.500 -0.040 0.000 2.115 113 R HA -0.138 4.202 4.340 0.000 0.000 0.230 113 R C 2.366 178.632 176.300 -0.057 0.000 1.111 113 R CA 0.926 57.024 56.100 -0.004 0.000 0.976 113 R CB -0.262 30.101 30.300 0.106 0.000 0.870 113 R HN 0.280 nan 8.270 nan 0.000 0.445 114 R N 0.796 121.177 120.500 -0.198 0.000 2.075 114 R HA -0.111 4.229 4.340 0.000 0.000 0.232 114 R C 2.281 178.485 176.300 -0.160 0.000 1.126 114 R CA 0.999 56.937 56.100 -0.270 0.000 0.963 114 R CB -0.248 29.707 30.300 -0.575 0.000 0.858 114 R HN 0.097 nan 8.270 nan 0.000 0.435 115 L N 0.735 121.874 121.223 -0.140 0.000 2.017 115 L HA -0.101 4.239 4.340 0.000 0.000 0.208 115 L C 1.839 178.676 176.870 -0.055 0.000 1.073 115 L CA 1.682 56.468 54.840 -0.091 0.000 0.745 115 L CB -0.322 41.688 42.059 -0.081 0.000 0.894 115 L HN 0.202 nan 8.230 nan 0.000 0.432 116 I N -0.456 120.088 120.570 -0.043 0.000 2.151 116 I HA -0.377 3.793 4.170 0.000 0.000 0.243 116 I C 2.664 178.777 176.117 -0.007 0.000 1.080 116 I CA 1.972 63.262 61.300 -0.018 0.000 1.339 116 I CB -0.404 37.592 38.000 -0.007 0.000 1.039 116 I HN 0.521 nan 8.210 nan 0.000 0.409 117 Q N 0.895 120.690 119.800 -0.008 0.000 2.046 117 Q HA -0.211 4.129 4.340 0.000 0.000 0.200 117 Q C 2.330 178.328 176.000 -0.003 0.000 0.975 117 Q CA 1.901 57.707 55.803 0.005 0.000 0.836 117 Q CB -0.126 28.621 28.738 0.014 0.000 0.896 117 Q HN 0.526 nan 8.270 nan 0.000 0.428 118 A N 0.819 123.625 122.820 -0.024 0.000 1.883 118 A HA -0.153 4.167 4.320 0.000 0.000 0.217 118 A C 2.305 179.881 177.584 -0.014 0.000 1.186 118 A CA 1.815 53.837 52.037 -0.025 0.000 0.624 118 A CB -1.138 17.836 19.000 -0.045 0.000 0.822 118 A HN 0.578 nan 8.150 nan 0.000 0.444 119 A N -0.525 122.286 122.820 -0.015 0.000 1.877 119 A HA 0.102 4.422 4.320 0.000 0.000 0.216 119 A C 2.444 180.033 177.584 0.008 0.000 1.186 119 A CA 1.984 54.016 52.037 -0.008 0.000 0.620 119 A CB -1.462 17.532 19.000 -0.010 0.000 0.822 119 A HN 0.802 nan 8.150 nan 0.000 0.443 120 G N -0.507 108.303 108.800 0.016 0.000 2.432 120 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 120 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 120 G C 1.429 176.352 174.900 0.039 0.000 1.135 120 G CA 1.420 46.541 45.100 0.034 0.000 0.767 120 G HN 0.600 nan 8.290 nan 0.000 0.550 121 E N 1.163 121.377 120.200 0.025 0.000 2.047 121 E HA 0.042 4.392 4.350 0.000 0.000 0.191 121 E C 2.694 179.309 176.600 0.024 0.000 0.987 121 E CA 1.516 57.931 56.400 0.025 0.000 0.799 121 E CB -0.647 29.061 29.700 0.014 0.000 0.752 121 E HN 0.248 nan 8.360 nan 0.000 0.449 122 A N 0.754 123.581 122.820 0.012 0.000 1.883 122 A HA -0.213 4.107 4.320 0.000 0.000 0.217 122 A C 2.420 180.007 177.584 0.006 0.000 1.186 122 A CA 2.003 54.041 52.037 0.001 0.000 0.624 122 A CB -0.756 18.238 19.000 -0.011 0.000 0.822 122 A HN 0.468 nan 8.150 nan 0.000 0.444 123 M N -1.370 118.245 119.600 0.024 0.000 2.108 123 M HA -0.168 4.312 4.480 0.000 0.000 0.261 123 M C 2.397 178.779 176.300 0.137 0.000 1.066 123 M CA 1.740 57.069 55.300 0.048 0.000 1.107 123 M CB -0.171 32.485 32.600 0.094 0.000 1.356 123 M HN 0.454 nan 8.290 nan 0.000 0.406 124 R N 0.162 120.743 120.500 0.136 0.000 2.115 124 R HA -0.094 4.246 4.340 0.000 0.000 0.230 124 R C 1.964 178.337 176.300 0.122 0.000 1.111 124 R CA 1.090 57.285 56.100 0.159 0.000 0.976 124 R CB -0.236 30.118 30.300 0.091 0.000 0.870 124 R HN 0.423 nan 8.270 nan 0.000 0.445 125 L N -0.117 121.144 121.223 0.064 0.000 2.093 125 L HA -0.106 4.234 4.340 0.000 0.000 0.208 125 L C 2.600 179.483 176.870 0.022 0.000 1.085 125 L CA 1.194 56.056 54.840 0.037 0.000 0.755 125 L CB -0.406 41.661 42.059 0.014 0.000 0.904 125 L HN 0.239 nan 8.230 nan 0.000 0.435 126 A N -0.818 121.993 122.820 -0.015 0.000 1.898 126 A HA -0.216 4.104 4.320 0.000 0.000 0.216 126 A C 2.049 179.587 177.584 -0.077 0.000 1.181 126 A CA 1.222 53.208 52.037 -0.085 0.000 0.620 126 A CB -0.815 18.077 19.000 -0.179 0.000 0.819 126 A HN 0.348 nan 8.150 nan 0.000 0.442 127 Y N 0.031 120.331 120.300 -0.001 0.000 2.145 127 Y HA -0.231 4.319 4.550 0.000 0.000 0.286 127 Y C 2.591 178.491 175.900 0.000 0.000 1.145 127 Y CA 1.779 59.879 58.100 0.000 0.000 1.148 127 Y CB -0.185 38.275 38.460 0.001 0.000 0.981 127 Y HN 0.403 nan 8.280 nan 0.000 0.507 128 E N -0.107 120.189 120.200 0.160 0.000 2.070 128 E HA -0.274 4.076 4.350 0.000 0.000 0.197 128 E C 0.574 177.209 176.600 0.059 0.000 1.004 128 E CA 1.677 58.130 56.400 0.089 0.000 0.805 128 E CB -0.093 29.644 29.700 0.062 0.000 0.744 128 E HN 0.398 nan 8.360 nan 0.000 0.451 129 E N -1.748 118.476 120.200 0.041 0.000 3.286 129 E HA -0.237 4.113 4.350 0.000 0.000 0.292 129 E C -0.653 175.957 176.600 0.016 0.000 0.928 129 E CA 0.063 56.475 56.400 0.021 0.000 0.982 129 E CB -1.225 28.489 29.700 0.023 0.000 1.500 129 E HN 0.310 nan 8.360 nan 0.000 0.441 130 A N 0.891 123.722 122.820 0.019 0.000 2.366 130 A HA 0.618 4.938 4.320 0.000 0.000 0.272 130 A C 0.909 178.498 177.584 0.008 0.000 1.135 130 A CA 0.615 52.660 52.037 0.014 0.000 0.804 130 A CB 0.744 19.754 19.000 0.016 0.000 1.064 130 A HN 0.816 nan 8.150 nan 0.000 0.499 131 G N 1.366 110.169 108.800 0.005 0.000 2.721 131 G HA2 0.258 4.218 3.960 0.000 0.000 0.686 131 G HA3 0.258 4.218 3.960 0.000 0.000 0.686 131 G C 0.025 174.924 174.900 -0.002 0.000 1.236 131 G CA -0.149 44.952 45.100 0.001 0.000 0.786 131 G HN 2.233 nan 8.290 nan 0.000 0.616 132 S N 0.791 116.488 115.700 -0.004 0.000 2.580 132 S HA 0.342 4.812 4.470 0.000 0.000 0.266 132 S C 1.732 176.327 174.600 -0.009 0.000 1.354 132 S CA 0.364 58.560 58.200 -0.006 0.000 1.008 132 S CB 1.280 64.476 63.200 -0.007 0.000 0.898 132 S HN 1.937 nan 8.310 nan 0.000 0.555 133 L N 0.936 122.152 121.223 -0.012 0.000 2.042 133 L HA -0.091 4.249 4.340 0.000 0.000 0.210 133 L C 1.772 178.632 176.870 -0.016 0.000 1.076 133 L CA 2.153 56.984 54.840 -0.016 0.000 0.749 133 L CB -1.207 40.842 42.059 -0.016 0.000 0.893 133 L HN 0.792 nan 8.230 nan 0.000 0.432 134 D N -0.381 120.010 120.400 -0.015 0.000 2.104 134 D HA -0.199 4.441 4.640 0.000 0.000 0.194 134 D C 2.134 178.424 176.300 -0.016 0.000 0.994 134 D CA 1.637 55.627 54.000 -0.017 0.000 0.830 134 D CB -0.058 40.732 40.800 -0.016 0.000 0.959 134 D HN 0.524 nan 8.370 nan 0.000 0.452 135 E N -0.090 120.102 120.200 -0.013 0.000 2.106 135 E HA -0.113 4.237 4.350 0.000 0.000 0.192 135 E C 2.133 178.726 176.600 -0.012 0.000 0.984 135 E CA 0.391 56.784 56.400 -0.012 0.000 0.806 135 E CB 0.110 29.805 29.700 -0.008 0.000 0.750 135 E HN 0.268 nan 8.360 nan 0.000 0.458 136 I N 1.078 121.640 120.570 -0.013 0.000 2.113 136 I HA -0.260 3.910 4.170 0.000 0.000 0.238 136 I C 2.489 178.596 176.117 -0.018 0.000 1.070 136 I CA 1.334 62.625 61.300 -0.014 0.000 1.332 136 I CB -1.016 36.974 38.000 -0.018 0.000 1.044 136 I HN 0.182 nan 8.210 nan 0.000 0.402 137 L N 0.449 121.660 121.223 -0.021 0.000 2.127 137 L HA -0.257 4.083 4.340 0.000 0.000 0.211 137 L C 2.263 179.121 176.870 -0.020 0.000 1.089 137 L CA 1.604 56.431 54.840 -0.022 0.000 0.757 137 L CB -0.656 41.390 42.059 -0.023 0.000 0.899 137 L HN 0.293 nan 8.230 nan 0.000 0.434 138 D N -0.532 119.857 120.400 -0.019 0.000 2.097 138 D HA -0.168 4.472 4.640 0.000 0.000 0.195 138 D C 2.011 178.301 176.300 -0.017 0.000 0.989 138 D CA 1.756 55.745 54.000 -0.019 0.000 0.827 138 D CB 0.190 40.978 40.800 -0.019 0.000 0.966 138 D HN 0.130 nan 8.370 nan 0.000 0.456 139 T N -0.271 114.275 114.554 -0.014 0.000 2.777 139 T HA -0.051 4.299 4.350 0.000 0.000 0.266 139 T C 2.005 176.697 174.700 -0.013 0.000 1.040 139 T CA 1.274 63.367 62.100 -0.011 0.000 1.141 139 T CB -0.590 68.275 68.868 -0.006 0.000 0.868 139 T HN 0.251 nan 8.240 nan 0.000 0.444 140 A N 1.643 124.455 122.820 -0.014 0.000 1.892 140 A HA -0.002 4.318 4.320 0.000 0.000 0.218 140 A C 2.631 180.203 177.584 -0.020 0.000 1.188 140 A CA 2.052 54.079 52.037 -0.017 0.000 0.631 140 A CB -1.443 17.544 19.000 -0.021 0.000 0.822 140 A HN 0.525 nan 8.150 nan 0.000 0.447 141 G N -0.878 107.910 108.800 -0.021 0.000 2.403 141 G HA2 -0.202 3.758 3.960 0.000 0.000 0.216 141 G HA3 -0.202 3.758 3.960 0.000 0.000 0.216 141 G C 1.617 176.504 174.900 -0.022 0.000 1.154 141 G CA 1.121 46.207 45.100 -0.022 0.000 0.784 141 G HN 0.599 nan 8.290 nan 0.000 0.538 142 K N 0.387 120.775 120.400 -0.020 0.000 2.057 142 K HA -0.089 4.231 4.320 0.000 0.000 0.207 142 K C 2.447 179.034 176.600 -0.021 0.000 1.049 142 K CA 1.014 57.290 56.287 -0.019 0.000 0.931 142 K CB -0.036 32.455 32.500 -0.015 0.000 0.714 142 K HN 0.013 nan 8.250 nan 0.000 0.440 143 K N 0.831 121.219 120.400 -0.021 0.000 2.026 143 K HA -0.125 4.195 4.320 0.000 0.000 0.208 143 K C 2.139 178.718 176.600 -0.035 0.000 1.048 143 K CA 1.017 57.289 56.287 -0.024 0.000 0.929 143 K CB -0.343 32.146 32.500 -0.019 0.000 0.713 143 K HN 0.232 nan 8.250 nan 0.000 0.439 144 I N 1.000 121.550 120.570 -0.033 0.000 2.252 144 I HA -0.213 3.957 4.170 0.000 0.000 0.245 144 I C 2.365 178.456 176.117 -0.044 0.000 1.102 144 I CA 0.776 62.052 61.300 -0.040 0.000 1.385 144 I CB -0.840 37.140 38.000 -0.034 0.000 1.064 144 I HN 0.058 nan 8.210 nan 0.000 0.414 145 L N 0.960 122.162 121.223 -0.036 0.000 2.201 145 L HA -0.124 4.216 4.340 0.000 0.000 0.212 145 L C 2.272 179.119 176.870 -0.039 0.000 1.105 145 L CA 1.581 56.400 54.840 -0.035 0.000 0.775 145 L CB -0.676 41.366 42.059 -0.027 0.000 0.913 145 L HN 0.204 nan 8.230 nan 0.000 0.440 146 E N -1.307 118.869 120.200 -0.040 0.000 2.153 146 E HA -0.183 4.167 4.350 0.000 0.000 0.194 146 E C 2.140 178.698 176.600 -0.069 0.000 0.988 146 E CA 1.230 57.603 56.400 -0.044 0.000 0.811 146 E CB -0.013 29.664 29.700 -0.038 0.000 0.746 146 E HN 0.382 nan 8.360 nan 0.000 0.466 147 V N 0.696 120.558 119.914 -0.086 0.000 2.490 147 V HA -0.237 3.883 4.120 0.000 0.000 0.250 147 V C 2.071 178.096 176.094 -0.114 0.000 1.061 147 V CA 1.835 64.059 62.300 -0.128 0.000 1.064 147 V CB -0.361 31.384 31.823 -0.130 0.000 0.670 147 V HN 0.323 nan 8.190 nan 0.000 0.461 148 A N -1.130 121.645 122.820 -0.076 0.000 2.095 148 A HA 0.230 4.550 4.320 0.000 0.000 0.212 148 A C 1.982 179.542 177.584 -0.041 0.000 1.162 148 A CA 0.566 52.567 52.037 -0.059 0.000 0.753 148 A CB -0.049 18.924 19.000 -0.046 0.000 0.840 148 A HN 0.490 nan 8.150 nan 0.000 0.468 149 L N -0.130 121.071 121.223 -0.037 0.000 2.556 149 L HA 0.125 4.465 4.340 0.000 0.000 0.226 149 L C 0.837 177.700 176.870 -0.012 0.000 1.089 149 L CA 0.756 55.584 54.840 -0.018 0.000 0.864 149 L CB 0.046 42.096 42.059 -0.014 0.000 1.067 149 L HN 0.430 nan 8.230 nan 0.000 0.477 150 T N -3.692 110.848 114.554 -0.025 0.000 2.855 150 T HA 0.240 4.590 4.350 0.000 0.000 0.281 150 T C 0.507 175.196 174.700 -0.018 0.000 1.007 150 T CA -0.728 61.366 62.100 -0.011 0.000 1.009 150 T CB 2.769 71.630 68.868 -0.011 0.000 0.983 150 T HN -0.063 nan 8.240 nan 0.000 0.455 151 K N 1.067 121.484 120.400 0.028 0.000 2.186 151 K HA 0.070 4.390 4.320 0.000 0.000 0.202 151 K C 0.940 177.602 176.600 0.103 0.000 1.052 151 K CA 0.969 57.291 56.287 0.059 0.000 0.965 151 K CB 0.057 32.618 32.500 0.101 0.000 0.746 151 K HN 0.916 nan 8.250 nan 0.000 0.457 152 T N -3.282 111.346 114.554 0.124 0.000 2.716 152 T HA 0.257 4.607 4.350 0.000 0.000 0.286 152 T C -0.080 174.703 174.700 0.139 0.000 1.052 152 T CA -0.912 61.340 62.100 0.254 0.000 1.024 152 T CB 1.362 70.430 68.868 0.333 0.000 1.349 152 T HN -0.177 nan 8.240 nan 0.000 0.525 153 D N 0.525 121.060 120.400 0.225 0.000 2.417 153 D HA 0.161 4.801 4.640 0.000 0.000 0.207 153 D C 0.227 176.607 176.300 0.132 0.000 1.075 153 D CA 0.329 54.414 54.000 0.142 0.000 0.851 153 D CB 0.022 40.926 40.800 0.173 0.000 0.976 153 D HN 0.650 nan 8.370 nan 0.000 0.505 154 T N 1.749 116.396 114.554 0.156 0.000 2.800 154 T HA -0.041 4.309 4.350 0.000 0.000 0.283 154 T C 1.442 176.190 174.700 0.080 0.000 0.999 154 T CA 0.393 62.561 62.100 0.114 0.000 1.176 154 T CB 1.269 70.204 68.868 0.112 0.000 0.973 154 T HN 0.113 nan 8.240 nan 0.000 0.519 155 E N 2.023 122.262 120.200 0.065 0.000 2.017 155 E HA -0.034 4.316 4.350 0.000 0.000 0.193 155 E C 1.037 177.662 176.600 0.043 0.000 0.997 155 E CA 0.980 57.409 56.400 0.048 0.000 0.804 155 E CB 0.115 29.840 29.700 0.041 0.000 0.757 155 E HN 0.739 nan 8.360 nan 0.000 0.448 156 A N 1.574 124.419 122.820 0.042 0.000 2.273 156 A HA 0.316 4.636 4.320 0.000 0.000 0.320 156 A C -0.475 177.134 177.584 0.042 0.000 1.358 156 A CA -0.451 51.608 52.037 0.037 0.000 0.910 156 A CB 0.416 19.433 19.000 0.029 0.000 1.159 156 A HN 0.038 nan 8.150 nan 0.000 0.526 157 R N 2.671 123.198 120.500 0.045 0.000 2.389 157 R HA 0.305 4.645 4.340 0.000 0.000 0.295 157 R C -2.399 173.927 176.300 0.043 0.000 1.075 157 R CA -1.216 54.914 56.100 0.051 0.000 1.005 157 R CB 0.352 30.687 30.300 0.057 0.000 0.987 157 R HN 0.474 nan 8.270 nan 0.000 0.452 158 P HA 0.018 nan 4.420 nan 0.000 0.271 158 P C 0.508 177.830 177.300 0.037 0.000 1.218 158 P CA -0.322 62.796 63.100 0.031 0.000 0.780 158 P CB 0.582 32.296 31.700 0.024 0.000 0.901 159 M N 2.872 122.490 119.600 0.030 0.000 2.108 159 M HA -0.169 4.311 4.480 0.000 0.000 0.261 159 M C 2.085 178.412 176.300 0.045 0.000 1.066 159 M CA 1.810 57.131 55.300 0.034 0.000 1.107 159 M CB -0.708 31.906 32.600 0.024 0.000 1.356 159 M HN 0.300 nan 8.290 nan 0.000 0.406 160 R N -0.286 120.236 120.500 0.036 0.000 2.096 160 R HA -0.240 4.100 4.340 0.000 0.000 0.240 160 R C 2.236 178.582 176.300 0.078 0.000 1.139 160 R CA 2.266 58.392 56.100 0.044 0.000 0.952 160 R CB -0.553 29.758 30.300 0.019 0.000 0.854 160 R HN 0.644 nan 8.270 nan 0.000 0.436 161 E N 0.267 120.505 120.200 0.064 0.000 2.051 161 E HA -0.217 4.133 4.350 0.000 0.000 0.192 161 E C 2.119 178.799 176.600 0.132 0.000 0.991 161 E CA 1.514 57.962 56.400 0.081 0.000 0.799 161 E CB -0.099 29.640 29.700 0.065 0.000 0.748 161 E HN 0.428 nan 8.360 nan 0.000 0.449 162 L N 0.295 121.579 121.223 0.102 0.000 2.017 162 L HA -0.187 4.153 4.340 0.000 0.000 0.208 162 L C 2.605 179.547 176.870 0.120 0.000 1.073 162 L CA 0.822 55.722 54.840 0.100 0.000 0.745 162 L CB -0.366 41.734 42.059 0.068 0.000 0.894 162 L HN 0.097 nan 8.230 nan 0.000 0.432 163 V N -0.657 119.325 119.914 0.114 0.000 2.407 163 V HA -0.340 3.780 4.120 0.000 0.000 0.248 163 V C 2.448 178.644 176.094 0.171 0.000 1.055 163 V CA 2.149 64.518 62.300 0.114 0.000 1.049 163 V CB -0.752 31.108 31.823 0.062 0.000 0.662 163 V HN 0.539 nan 8.190 nan 0.000 0.455 164 H N 0.503 119.629 119.070 0.094 0.000 2.352 164 H HA -0.177 4.379 4.556 0.000 0.000 0.299 164 H C 2.271 177.699 175.328 0.166 0.000 1.097 164 H CA 2.267 58.391 56.048 0.127 0.000 1.311 164 H CB 0.135 29.954 29.762 0.095 0.000 1.377 164 H HN 0.552 nan 8.280 nan 0.000 0.504 165 E N -1.006 119.335 120.200 0.234 0.000 2.122 165 E HA -0.066 4.284 4.350 0.000 0.000 0.190 165 E C 2.044 178.723 176.600 0.133 0.000 0.977 165 E CA 1.278 57.783 56.400 0.175 0.000 0.820 165 E CB 0.255 30.063 29.700 0.180 0.000 0.770 165 E HN 0.526 nan 8.360 nan 0.000 0.462 166 T N 0.933 115.567 114.554 0.132 0.000 2.857 166 T HA -0.116 4.234 4.350 0.000 0.000 0.266 166 T C 1.536 176.325 174.700 0.149 0.000 1.048 166 T CA 0.677 62.845 62.100 0.113 0.000 1.139 166 T CB -0.302 68.621 68.868 0.092 0.000 0.874 166 T HN 0.106 nan 8.240 nan 0.000 0.455 167 F N 1.906 121.864 119.950 0.013 0.000 2.186 167 F HA 0.038 4.565 4.527 0.000 0.000 0.299 167 F C 2.415 178.196 175.800 -0.032 0.000 1.090 167 F CA 1.086 59.079 58.000 -0.011 0.000 1.307 167 F CB -0.162 38.818 39.000 -0.033 0.000 1.019 167 F HN 0.131 nan 8.300 nan 0.000 0.489 168 E N -1.127 119.067 120.200 -0.009 0.000 2.110 168 E HA -0.297 4.053 4.350 0.000 0.000 0.193 168 E C 2.275 178.820 176.600 -0.091 0.000 0.988 168 E CA 1.273 57.613 56.400 -0.100 0.000 0.804 168 E CB -0.434 29.215 29.700 -0.084 0.000 0.745 168 E HN 0.510 nan 8.360 nan 0.000 0.458 169 H N 0.955 119.966 119.070 -0.098 0.000 2.395 169 H HA -0.068 4.488 4.556 0.000 0.000 0.299 169 H C 2.106 177.362 175.328 -0.120 0.000 1.070 169 H CA 1.535 57.536 56.048 -0.079 0.000 1.356 169 H CB 0.058 29.802 29.762 -0.032 0.000 1.401 169 H HN 0.367 nan 8.280 nan 0.000 0.524 170 I N -1.722 118.826 120.570 -0.036 0.000 3.564 170 I HA 0.054 4.224 4.170 0.000 0.000 0.294 170 I C 1.207 177.174 176.117 -0.251 0.000 1.289 170 I CA 0.572 61.808 61.300 -0.106 0.000 1.325 170 I CB -0.117 37.840 38.000 -0.072 0.000 1.039 170 I HN 0.036 nan 8.210 nan 0.000 0.474 171 E N 2.064 122.063 120.200 -0.335 0.000 2.190 171 E HA 0.187 4.537 4.350 0.000 0.000 0.191 171 E C 1.421 177.904 176.600 -0.194 0.000 0.978 171 E CA 0.364 56.583 56.400 -0.302 0.000 0.839 171 E CB 0.262 29.762 29.700 -0.333 0.000 0.787 171 E HN 0.650 nan 8.360 nan 0.000 0.473 184 R N 0.869 121.361 120.500 -0.014 0.000 2.732 184 R HA 0.628 4.968 4.340 0.000 0.000 0.278 184 R C 1.332 177.608 176.300 -0.039 0.000 0.976 184 R CA 0.162 56.254 56.100 -0.014 0.000 0.963 184 R CB 2.020 32.311 30.300 -0.016 0.000 1.150 184 R HN 0.966 nan 8.270 nan 0.000 0.478 185 T N -0.950 113.593 114.554 -0.017 0.000 2.995 185 T HA 0.082 4.432 4.350 0.000 0.000 0.269 185 T C 1.381 175.959 174.700 -0.203 0.000 1.091 185 T CA 0.885 62.958 62.100 -0.045 0.000 1.128 185 T CB 0.024 68.962 68.868 0.117 0.000 0.891 185 T HN 0.854 nan 8.240 nan 0.000 0.492 186 G N 0.857 109.555 108.800 -0.169 0.000 2.225 186 G HA2 -0.213 3.747 3.960 0.000 0.000 0.254 186 G HA3 -0.213 3.747 3.960 0.000 0.000 0.254 186 G C 0.002 174.713 174.900 -0.316 0.000 0.988 186 G CA -0.064 44.868 45.100 -0.281 0.000 0.625 186 G HN 0.597 nan 8.290 nan 0.000 0.527 187 F N 2.247 122.203 119.950 0.011 0.000 2.368 187 F HA 0.439 4.966 4.527 0.000 0.000 0.362 187 F C 1.746 177.576 175.800 0.050 0.000 1.137 187 F CA -0.371 57.660 58.000 0.051 0.000 1.161 187 F CB 1.005 40.062 39.000 0.095 0.000 1.265 187 F HN -0.064 nan 8.300 nan 0.000 0.530 188 K N 1.732 122.242 120.400 0.183 0.000 2.107 188 K HA -0.284 4.036 4.320 0.000 0.000 0.211 188 K C 1.882 178.554 176.600 0.120 0.000 1.049 188 K CA 1.963 58.321 56.287 0.118 0.000 0.927 188 K CB -0.018 32.535 32.500 0.088 0.000 0.714 188 K HN 0.666 nan 8.250 nan 0.000 0.452 189 E N 0.441 120.727 120.200 0.144 0.000 2.158 189 E HA -0.133 4.217 4.350 0.000 0.000 0.191 189 E C 1.987 178.650 176.600 0.106 0.000 0.982 189 E CA 0.281 56.746 56.400 0.108 0.000 0.823 189 E CB 0.144 29.902 29.700 0.097 0.000 0.766 189 E HN 0.088 nan 8.360 nan 0.000 0.468 190 L N 1.507 122.819 121.223 0.148 0.000 2.072 190 L HA -0.134 4.206 4.340 0.000 0.000 0.205 190 L C 1.480 178.418 176.870 0.115 0.000 1.079 190 L CA 1.814 56.734 54.840 0.134 0.000 0.752 190 L CB -0.289 41.888 42.059 0.196 0.000 0.906 190 L HN 0.015 nan 8.230 nan 0.000 0.436 191 D N -0.699 119.776 120.400 0.124 0.000 2.182 191 D HA -0.217 4.423 4.640 0.000 0.000 0.201 191 D C 2.162 178.499 176.300 0.061 0.000 0.986 191 D CA 1.104 55.155 54.000 0.084 0.000 0.847 191 D CB -0.058 40.785 40.800 0.072 0.000 0.942 191 D HN 0.531 nan 8.370 nan 0.000 0.467 192 Q N -0.372 119.465 119.800 0.062 0.000 2.124 192 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 192 Q C 2.163 178.187 176.000 0.041 0.000 0.977 192 Q CA 0.622 56.453 55.803 0.047 0.000 0.850 192 Q CB -0.042 28.724 28.738 0.047 0.000 0.901 192 Q HN 0.204 nan 8.270 nan 0.000 0.429 193 L N 0.335 121.585 121.223 0.045 0.000 2.131 193 L HA -0.032 4.308 4.340 0.000 0.000 0.206 193 L C 1.843 178.731 176.870 0.030 0.000 1.087 193 L CA 1.314 56.175 54.840 0.035 0.000 0.767 193 L CB 0.132 42.212 42.059 0.035 0.000 0.917 193 L HN 0.307 nan 8.230 nan 0.000 0.441 194 I N -5.040 115.552 120.570 0.037 0.000 4.227 194 I HA 0.545 4.715 4.170 0.000 0.000 0.334 194 I C 1.172 177.306 176.117 0.029 0.000 1.341 194 I CA 0.197 61.515 61.300 0.030 0.000 1.123 194 I CB -0.158 37.862 38.000 0.033 0.000 1.097 194 I HN 0.191 nan 8.210 nan 0.000 0.399 195 G N 2.378 111.198 108.800 0.033 0.000 2.552 195 G HA2 -0.292 3.668 3.960 0.000 0.000 0.265 195 G HA3 -0.292 3.668 3.960 0.000 0.000 0.265 195 G C 0.135 175.053 174.900 0.030 0.000 1.234 195 G CA 0.357 45.474 45.100 0.029 0.000 0.944 195 G HN 0.769 nan 8.290 nan 0.000 0.568 196 T N -1.066 113.501 114.554 0.023 0.000 2.874 196 T HA 0.640 4.990 4.350 0.000 0.000 0.281 196 T C 0.680 175.391 174.700 0.018 0.000 0.994 196 T CA -0.436 61.677 62.100 0.021 0.000 1.015 196 T CB 1.227 70.106 68.868 0.018 0.000 1.028 196 T HN 0.940 nan 8.240 nan 0.000 0.523 197 L N 2.477 123.711 121.223 0.017 0.000 2.363 197 L HA 0.400 4.740 4.340 0.000 0.000 0.286 197 L C 1.432 178.308 176.870 0.010 0.000 1.106 197 L CA -0.818 54.031 54.840 0.015 0.000 0.859 197 L CB -0.437 41.633 42.059 0.018 0.000 1.223 197 L HN 1.007 nan 8.230 nan 0.000 0.446 198 G N 4.336 113.139 108.800 0.005 0.000 2.559 198 G HA2 0.167 4.127 3.960 0.000 0.000 0.235 198 G HA3 0.167 4.127 3.960 0.000 0.000 0.235 198 G C -2.356 172.543 174.900 -0.002 0.000 1.266 198 G CA -0.750 44.349 45.100 -0.002 0.000 0.847 198 G HN 0.364 nan 8.290 nan 0.000 0.583 199 P HA 0.158 nan 4.420 nan 0.000 0.267 199 P C 0.737 178.034 177.300 -0.005 0.000 1.205 199 P CA 1.218 64.314 63.100 -0.006 0.000 0.765 199 P CB 0.879 32.568 31.700 -0.018 0.000 0.828 200 G N 1.832 110.633 108.800 0.001 0.000 2.182 200 G HA2 -0.155 3.805 3.960 0.000 0.000 0.248 200 G HA3 -0.155 3.805 3.960 0.000 0.000 0.248 200 G C 0.009 174.910 174.900 0.002 0.000 1.042 200 G CA 0.190 45.291 45.100 0.001 0.000 0.775 200 G HN 0.869 nan 8.290 nan 0.000 0.501 201 S N -1.195 114.507 115.700 0.004 0.000 2.513 201 S HA 0.792 5.262 4.470 0.000 0.000 0.299 201 S C -0.512 174.092 174.600 0.006 0.000 1.087 201 S CA -1.062 57.140 58.200 0.003 0.000 1.012 201 S CB 2.717 65.918 63.200 0.002 0.000 1.044 201 S HN 1.359 nan 8.310 nan 0.000 0.485 202 L N 2.954 124.179 121.223 0.003 0.000 2.264 202 L HA 0.559 4.899 4.340 0.000 0.000 0.289 202 L C -1.009 175.862 176.870 0.001 0.000 1.044 202 L CA -0.151 54.692 54.840 0.005 0.000 0.807 202 L CB 0.564 42.625 42.059 0.003 0.000 1.192 202 L HN 0.770 nan 8.230 nan 0.000 0.425 203 N N 6.659 125.364 118.700 0.007 0.000 2.372 203 N HA 0.487 5.227 4.740 0.000 0.000 0.285 203 N C -1.135 174.375 175.510 0.001 0.000 1.008 203 N CA -0.323 52.727 53.050 0.000 0.000 0.880 203 N CB 2.361 40.857 38.487 0.014 0.000 1.239 203 N HN 0.522 nan 8.380 nan 0.000 0.484 204 I N 2.675 123.226 120.570 -0.031 0.000 2.406 204 I HA 0.420 4.590 4.170 0.000 0.000 0.290 204 I C -0.154 175.920 176.117 -0.071 0.000 0.999 204 I CA -0.646 60.634 61.300 -0.033 0.000 1.124 204 I CB 1.692 39.671 38.000 -0.035 0.000 1.289 204 I HN 0.284 nan 8.210 nan 0.000 0.441 205 I N 6.129 126.690 120.570 -0.015 0.000 2.330 205 I HA 0.513 4.683 4.170 0.000 0.000 0.286 205 I C 0.083 176.201 176.117 0.002 0.000 1.025 205 I CA -0.232 61.051 61.300 -0.028 0.000 1.197 205 I CB 1.355 39.388 38.000 0.055 0.000 1.358 205 I HN 0.586 nan 8.210 nan 0.000 0.467 206 A N 5.498 128.329 122.820 0.018 0.000 2.355 206 A HA 0.989 5.309 4.320 0.000 0.000 0.317 206 A C -0.556 177.132 177.584 0.174 0.000 1.094 206 A CA -0.342 51.774 52.037 0.132 0.000 0.764 206 A CB 1.569 20.720 19.000 0.251 0.000 1.230 206 A HN 0.815 nan 8.150 nan 0.000 0.448 207 A N 1.745 124.602 122.820 0.061 0.000 2.564 207 A HA 0.766 5.086 4.320 0.000 0.000 0.291 207 A C -0.715 176.832 177.584 -0.061 0.000 1.102 207 A CA -0.822 51.213 52.037 -0.003 0.000 0.660 207 A CB 0.746 19.717 19.000 -0.047 0.000 1.283 207 A HN 0.698 nan 8.150 nan 0.000 0.430 208 R N 0.513 120.943 120.500 -0.117 0.000 2.679 208 R HA 0.373 4.713 4.340 0.000 0.000 0.269 208 R C -2.364 173.870 176.300 -0.111 0.000 1.076 208 R CA -1.589 54.435 56.100 -0.128 0.000 1.160 208 R CB -0.313 29.864 30.300 -0.205 0.000 1.054 208 R HN 0.563 nan 8.270 nan 0.000 0.507 209 P HA -0.038 nan 4.420 nan 0.000 0.269 209 P C -0.078 177.275 177.300 0.088 0.000 1.215 209 P CA 0.482 63.569 63.100 -0.021 0.000 0.780 209 P CB 0.533 32.230 31.700 -0.005 0.000 0.898 210 A N 1.386 124.250 122.820 0.074 0.000 3.396 210 A HA -0.239 4.081 4.320 0.000 0.000 0.267 210 A C 1.612 179.284 177.584 0.147 0.000 1.139 210 A CA 1.517 53.630 52.037 0.126 0.000 1.115 210 A CB -2.592 16.478 19.000 0.118 0.000 1.133 210 A HN 0.448 nan 8.150 nan 0.000 0.920 211 M N -1.678 117.956 119.600 0.055 0.000 2.374 211 M HA 0.135 4.615 4.480 0.000 0.000 0.264 211 M C 1.699 177.959 176.300 -0.067 0.000 1.067 211 M CA 2.001 57.256 55.300 -0.075 0.000 1.103 211 M CB -1.152 31.335 32.600 -0.188 0.000 1.402 211 M HN 1.839 nan 8.290 nan 0.000 0.444 212 G N 0.384 109.222 108.800 0.064 0.000 2.226 212 G HA2 -0.210 3.750 3.960 0.000 0.000 0.176 212 G HA3 -0.210 3.750 3.960 0.000 0.000 0.176 212 G C 0.807 175.861 174.900 0.258 0.000 1.042 212 G CA 0.364 45.612 45.100 0.247 0.000 0.732 212 G HN 0.393 nan 8.290 nan 0.000 0.494 213 K N -0.457 120.016 120.400 0.122 0.000 2.026 213 K HA -0.051 4.269 4.320 0.000 0.000 0.208 213 K C 2.671 179.385 176.600 0.189 0.000 1.048 213 K CA 1.939 58.291 56.287 0.109 0.000 0.929 213 K CB -0.229 32.303 32.500 0.054 0.000 0.713 213 K HN 0.345 nan 8.250 nan 0.000 0.439 214 T N 1.112 115.775 114.554 0.182 0.000 2.652 214 T HA -0.190 4.160 4.350 0.000 0.000 0.267 214 T C 2.010 176.839 174.700 0.215 0.000 1.039 214 T CA 1.513 63.723 62.100 0.185 0.000 1.153 214 T CB -0.412 68.561 68.868 0.174 0.000 0.863 214 T HN 0.346 nan 8.240 nan 0.000 0.428 215 A N 1.211 124.217 122.820 0.310 0.000 1.892 215 A HA -0.136 4.184 4.320 0.000 0.000 0.218 215 A C 2.046 179.849 177.584 0.364 0.000 1.188 215 A CA 1.880 54.165 52.037 0.413 0.000 0.631 215 A CB -1.149 18.249 19.000 0.664 0.000 0.822 215 A HN 0.479 nan 8.150 nan 0.000 0.447 216 F N 0.853 120.822 119.950 0.031 0.000 2.069 216 F HA -0.112 4.415 4.527 0.000 0.000 0.298 216 F C 2.578 178.344 175.800 -0.057 0.000 1.113 216 F CA 1.412 59.197 58.000 -0.359 0.000 1.214 216 F CB -0.586 37.986 39.000 -0.712 0.000 0.978 216 F HN 0.257 nan 8.300 nan 0.000 0.474 217 A N 0.558 123.386 122.820 0.015 0.000 1.902 217 A HA -0.156 4.164 4.320 0.000 0.000 0.217 217 A C 2.298 179.843 177.584 -0.066 0.000 1.181 217 A CA 1.871 53.885 52.037 -0.038 0.000 0.623 217 A CB -1.267 17.782 19.000 0.081 0.000 0.818 217 A HN 0.501 nan 8.150 nan 0.000 0.443 218 L N -0.594 120.633 121.223 0.006 0.000 2.131 218 L HA -0.157 4.183 4.340 0.000 0.000 0.210 218 L C 2.716 179.565 176.870 -0.034 0.000 1.092 218 L CA 1.595 56.439 54.840 0.006 0.000 0.759 218 L CB -0.873 41.219 42.059 0.055 0.000 0.903 218 L HN 0.366 nan 8.230 nan 0.000 0.435 219 T N 0.274 114.801 114.554 -0.044 0.000 2.708 219 T HA -0.146 4.204 4.350 0.000 0.000 0.266 219 T C 1.912 176.478 174.700 -0.223 0.000 1.037 219 T CA 1.378 63.424 62.100 -0.090 0.000 1.146 219 T CB -0.209 68.670 68.868 0.019 0.000 0.865 219 T HN 0.208 nan 8.240 nan 0.000 0.435 220 I N 1.573 121.973 120.570 -0.283 0.000 2.163 220 I HA -0.200 3.970 4.170 0.000 0.000 0.243 220 I C 2.984 179.006 176.117 -0.160 0.000 1.085 220 I CA 1.186 62.330 61.300 -0.261 0.000 1.347 220 I CB -0.599 37.252 38.000 -0.247 0.000 1.044 220 I HN 0.190 nan 8.210 nan 0.000 0.408 221 A N 0.310 123.061 122.820 -0.114 0.000 1.908 221 A HA -0.278 4.042 4.320 0.000 0.000 0.218 221 A C 2.295 179.827 177.584 -0.086 0.000 1.181 221 A CA 1.807 53.798 52.037 -0.077 0.000 0.627 221 A CB -0.656 18.313 19.000 -0.051 0.000 0.818 221 A HN 0.506 nan 8.150 nan 0.000 0.445 222 Q N -0.663 119.080 119.800 -0.095 0.000 2.046 222 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 222 Q C 1.949 177.883 176.000 -0.109 0.000 0.975 222 Q CA 1.246 56.994 55.803 -0.093 0.000 0.836 222 Q CB -0.264 28.427 28.738 -0.079 0.000 0.896 222 Q HN 0.645 nan 8.270 nan 0.000 0.428 223 N N 0.620 119.231 118.700 -0.148 0.000 2.104 223 N HA -0.161 4.579 4.740 0.000 0.000 0.190 223 N C 1.697 177.138 175.510 -0.116 0.000 1.024 223 N CA 1.413 54.368 53.050 -0.159 0.000 0.853 223 N CB -0.140 38.199 38.487 -0.246 0.000 1.008 223 N HN 0.218 nan 8.380 nan 0.000 0.424 224 A N 1.007 123.764 122.820 -0.104 0.000 1.855 224 A HA 0.086 4.406 4.320 0.000 0.000 0.215 224 A C 2.394 179.944 177.584 -0.058 0.000 1.191 224 A CA 1.863 53.858 52.037 -0.070 0.000 0.613 224 A CB -0.815 18.151 19.000 -0.056 0.000 0.829 224 A HN 0.324 nan 8.150 nan 0.000 0.442 225 A N -0.570 122.212 122.820 -0.064 0.000 1.872 225 A HA 0.069 4.389 4.320 0.000 0.000 0.214 225 A C 2.196 179.740 177.584 -0.065 0.000 1.187 225 A CA 1.456 53.454 52.037 -0.064 0.000 0.614 225 A CB -0.576 18.373 19.000 -0.085 0.000 0.826 225 A HN 0.432 nan 8.150 nan 0.000 0.442 226 L N -1.035 120.145 121.223 -0.072 0.000 2.131 226 L HA -0.085 4.255 4.340 0.000 0.000 0.206 226 L C 2.562 179.397 176.870 -0.059 0.000 1.087 226 L CA 1.257 56.057 54.840 -0.067 0.000 0.767 226 L CB -0.234 41.783 42.059 -0.070 0.000 0.917 226 L HN 0.323 nan 8.230 nan 0.000 0.441 227 K N -0.129 120.233 120.400 -0.064 0.000 2.108 227 K HA -0.017 4.303 4.320 0.000 0.000 0.204 227 K C 1.851 178.423 176.600 -0.047 0.000 1.036 227 K CA 0.847 57.099 56.287 -0.058 0.000 0.965 227 K CB 0.028 32.487 32.500 -0.069 0.000 0.804 227 K HN 0.228 nan 8.250 nan 0.000 0.454 228 E N 0.046 120.218 120.200 -0.047 0.000 2.285 228 E HA -0.013 4.337 4.350 0.000 0.000 0.194 228 E C 0.630 177.214 176.600 -0.027 0.000 0.997 228 E CA 0.452 56.831 56.400 -0.035 0.000 0.845 228 E CB 0.189 29.870 29.700 -0.032 0.000 0.782 228 E HN 0.517 nan 8.360 nan 0.000 0.491 229 G N 1.834 110.616 108.800 -0.031 0.000 2.160 229 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 229 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 229 G C -0.010 174.884 174.900 -0.010 0.000 1.022 229 G CA 0.377 45.463 45.100 -0.024 0.000 0.741 229 G HN 0.297 nan 8.290 nan 0.000 0.508 230 V N 0.533 120.442 119.914 -0.009 0.000 2.427 230 V HA 0.830 4.950 4.120 0.000 0.000 0.286 230 V C 1.009 177.117 176.094 0.023 0.000 1.034 230 V CA 0.264 62.571 62.300 0.011 0.000 0.893 230 V CB 1.321 33.150 31.823 0.010 0.000 0.982 230 V HN 1.248 nan 8.190 nan 0.000 0.452 231 G N 4.673 113.513 108.800 0.067 0.000 2.380 231 G HA2 0.438 4.398 3.960 0.000 0.000 0.242 231 G HA3 0.438 4.398 3.960 0.000 0.000 0.242 231 G C -0.597 174.379 174.900 0.126 0.000 1.298 231 G CA 0.313 45.498 45.100 0.142 0.000 0.878 231 G HN 1.437 nan 8.290 nan 0.000 0.542 232 V N 2.849 122.837 119.914 0.123 0.000 2.569 232 V HA 0.795 4.915 4.120 0.000 0.000 0.301 232 V C 0.363 176.534 176.094 0.128 0.000 1.044 232 V CA -0.097 62.257 62.300 0.090 0.000 0.874 232 V CB 1.556 33.389 31.823 0.017 0.000 1.002 232 V HN 1.059 nan 8.190 nan 0.000 0.424 233 G N 7.231 116.108 108.800 0.128 0.000 2.332 233 G HA2 0.643 4.603 3.960 0.000 0.000 0.310 233 G HA3 0.643 4.603 3.960 0.000 0.000 0.310 233 G C -0.783 174.104 174.900 -0.021 0.000 1.123 233 G CA -0.565 44.575 45.100 0.065 0.000 0.873 233 G HN 0.649 nan 8.290 nan 0.000 0.460 234 I N 1.891 122.382 120.570 -0.132 0.000 2.406 234 I HA 0.222 4.392 4.170 0.000 0.000 0.290 234 I C -1.096 174.853 176.117 -0.280 0.000 0.999 234 I CA -1.003 60.237 61.300 -0.100 0.000 1.124 234 I CB 1.696 39.671 38.000 -0.042 0.000 1.289 234 I HN 0.433 nan 8.210 nan 0.000 0.441 235 Y N 3.485 123.807 120.300 0.037 0.000 2.676 235 Y HA 0.156 4.706 4.550 0.000 0.000 0.338 235 Y C 1.153 177.066 175.900 0.021 0.000 1.057 235 Y CA -0.157 57.957 58.100 0.024 0.000 1.314 235 Y CB 1.067 39.535 38.460 0.014 0.000 1.164 235 Y HN 0.527 nan 8.280 nan 0.000 0.509 236 S N 4.352 120.094 115.700 0.069 0.000 3.483 236 S HA 0.200 4.670 4.470 0.000 0.000 0.274 236 S C 1.064 175.692 174.600 0.047 0.000 1.289 236 S CA -0.362 57.874 58.200 0.060 0.000 0.938 236 S CB -0.362 62.859 63.200 0.034 0.000 1.453 236 S HN 0.785 nan 8.310 nan 0.000 0.494 237 L N 2.883 124.121 121.223 0.025 0.000 2.217 237 L HA 0.057 4.397 4.340 0.000 0.000 0.211 237 L C 2.514 179.344 176.870 -0.067 0.000 1.107 237 L CA 1.069 55.886 54.840 -0.038 0.000 0.783 237 L CB -0.142 41.846 42.059 -0.117 0.000 0.919 237 L HN 0.588 nan 8.230 nan 0.000 0.442 238 E N 0.624 120.798 120.200 -0.044 0.000 2.038 238 E HA -0.035 4.315 4.350 0.000 0.000 0.190 238 E C 1.004 177.632 176.600 0.047 0.000 0.967 238 E CA 0.201 56.606 56.400 0.009 0.000 0.816 238 E CB 0.214 29.994 29.700 0.134 0.000 0.784 238 E HN 0.317 nan 8.360 nan 0.000 0.456 239 M N 1.299 120.938 119.600 0.066 0.000 2.423 239 M HA 0.533 5.013 4.480 0.000 0.000 0.335 239 M C -2.511 173.813 176.300 0.041 0.000 1.177 239 M CA -2.303 53.032 55.300 0.058 0.000 1.038 239 M CB 1.654 34.297 32.600 0.071 0.000 1.641 239 M HN -0.255 nan 8.290 nan 0.000 0.455 240 P HA 0.142 nan 4.420 nan 0.000 0.275 240 P C 0.151 177.463 177.300 0.021 0.000 1.228 240 P CA -0.027 63.088 63.100 0.024 0.000 0.786 240 P CB 0.861 32.575 31.700 0.022 0.000 0.927 241 A N 3.815 126.643 122.820 0.013 0.000 1.903 241 A HA -0.253 4.067 4.320 0.000 0.000 0.219 241 A C 2.284 179.873 177.584 0.008 0.000 1.191 241 A CA 2.740 54.780 52.037 0.005 0.000 0.638 241 A CB -1.745 17.253 19.000 -0.004 0.000 0.823 241 A HN 0.603 nan 8.150 nan 0.000 0.451 242 A N -1.018 121.808 122.820 0.010 0.000 1.917 242 A HA -0.293 4.027 4.320 0.000 0.000 0.219 242 A C 2.226 179.820 177.584 0.017 0.000 1.182 242 A CA 2.127 54.171 52.037 0.012 0.000 0.633 242 A CB -0.597 18.411 19.000 0.014 0.000 0.819 242 A HN 0.735 nan 8.150 nan 0.000 0.448 243 Q N -1.211 118.602 119.800 0.023 0.000 2.083 243 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 243 Q C 1.989 178.009 176.000 0.034 0.000 0.969 243 Q CA 1.274 57.095 55.803 0.030 0.000 0.838 243 Q CB -0.207 28.553 28.738 0.036 0.000 0.900 243 Q HN 0.502 nan 8.270 nan 0.000 0.436 244 L N 0.655 121.897 121.223 0.033 0.000 2.079 244 L HA -0.170 4.170 4.340 0.000 0.000 0.210 244 L C 2.126 179.010 176.870 0.024 0.000 1.081 244 L CA 1.999 56.860 54.840 0.035 0.000 0.752 244 L CB -0.612 41.465 42.059 0.031 0.000 0.896 244 L HN 0.224 nan 8.230 nan 0.000 0.433 245 T N -0.750 113.810 114.554 0.012 0.000 2.777 245 T HA -0.163 4.187 4.350 0.000 0.000 0.266 245 T C 1.772 176.476 174.700 0.007 0.000 1.040 245 T CA 1.459 63.559 62.100 0.000 0.000 1.141 245 T CB -0.310 68.554 68.868 -0.008 0.000 0.868 245 T HN 0.230 nan 8.240 nan 0.000 0.444 246 L N 1.303 122.536 121.223 0.016 0.000 2.046 246 L HA -0.026 4.314 4.340 0.000 0.000 0.208 246 L C 2.500 179.387 176.870 0.028 0.000 1.077 246 L CA 1.685 56.538 54.840 0.022 0.000 0.747 246 L CB -0.385 41.691 42.059 0.029 0.000 0.896 246 L HN 0.091 nan 8.230 nan 0.000 0.432 247 R N -1.342 119.180 120.500 0.037 0.000 2.081 247 R HA -0.156 4.184 4.340 0.000 0.000 0.235 247 R C 2.222 178.549 176.300 0.046 0.000 1.131 247 R CA 1.904 58.035 56.100 0.051 0.000 0.960 247 R CB -0.433 29.906 30.300 0.065 0.000 0.856 247 R HN 0.405 nan 8.270 nan 0.000 0.436 248 M N -0.204 119.415 119.600 0.031 0.000 2.132 248 M HA -0.135 4.345 4.480 0.000 0.000 0.263 248 M C 2.309 178.610 176.300 0.001 0.000 1.065 248 M CA 1.669 56.980 55.300 0.019 0.000 1.122 248 M CB -0.113 32.489 32.600 0.003 0.000 1.365 248 M HN 0.147 nan 8.290 nan 0.000 0.411 249 M N -0.690 118.907 119.600 -0.006 0.000 2.059 249 M HA -0.234 4.246 4.480 0.000 0.000 0.259 249 M C 2.376 178.663 176.300 -0.020 0.000 1.072 249 M CA 1.514 56.801 55.300 -0.022 0.000 1.117 249 M CB -0.560 32.027 32.600 -0.022 0.000 1.320 249 M HN 0.386 nan 8.290 nan 0.000 0.408 250 C N -0.693 118.608 119.300 0.002 0.000 2.425 250 C HA -0.111 4.349 4.460 0.000 0.000 0.277 250 C C 3.219 178.210 174.990 0.002 0.000 1.280 250 C CA 1.295 60.319 59.018 0.011 0.000 1.744 250 C CB -0.962 26.805 27.740 0.045 0.000 1.989 250 C HN 0.643 nan 8.230 nan 0.000 0.491 251 S N 0.591 116.307 115.700 0.026 0.000 2.343 251 S HA -0.219 4.251 4.470 0.000 0.000 0.219 251 S C 1.872 176.447 174.600 -0.040 0.000 1.033 251 S CA 2.152 60.374 58.200 0.036 0.000 1.014 251 S CB -0.383 62.857 63.200 0.067 0.000 0.915 251 S HN 0.643 nan 8.310 nan 0.000 0.435 252 E N 1.101 121.280 120.200 -0.035 0.000 2.070 252 E HA -0.076 4.274 4.350 0.000 0.000 0.197 252 E C 1.754 178.293 176.600 -0.101 0.000 1.004 252 E CA 1.564 57.929 56.400 -0.057 0.000 0.805 252 E CB -0.562 29.110 29.700 -0.046 0.000 0.744 252 E HN 0.555 nan 8.360 nan 0.000 0.451 253 A N 0.096 122.853 122.820 -0.105 0.000 2.252 253 A HA 0.052 4.372 4.320 0.000 0.000 0.207 253 A C 0.067 177.532 177.584 -0.197 0.000 1.194 253 A CA 0.449 52.412 52.037 -0.124 0.000 0.809 253 A CB -0.439 18.506 19.000 -0.092 0.000 0.814 253 A HN 0.283 nan 8.150 nan 0.000 0.482 254 R N -1.293 119.008 120.500 -0.332 0.000 3.127 254 R HA -0.163 4.177 4.340 0.000 0.000 0.247 254 R C -1.222 174.743 176.300 -0.558 0.000 0.896 254 R CA 0.884 56.521 56.100 -0.772 0.000 0.624 254 R CB -1.864 28.072 30.300 -0.606 0.000 1.154 254 R HN 0.571 nan 8.270 nan 0.000 0.474 255 I N 0.371 120.811 120.570 -0.218 0.000 2.512 255 I HA 0.099 4.269 4.170 0.000 0.000 0.287 255 I C -0.170 176.082 176.117 0.225 0.000 1.069 255 I CA -0.823 60.515 61.300 0.063 0.000 1.056 255 I CB 2.008 40.024 38.000 0.026 0.000 1.229 255 I HN -0.031 nan 8.210 nan 0.000 0.429 256 D N 7.757 128.306 120.400 0.249 0.000 2.402 256 D HA 0.111 4.751 4.640 0.000 0.000 0.235 256 D C 1.278 177.621 176.300 0.072 0.000 1.226 256 D CA -0.353 53.720 54.000 0.122 0.000 0.918 256 D CB 0.848 41.647 40.800 -0.001 0.000 1.043 256 D HN 0.447 nan 8.370 nan 0.000 0.506 257 M N 2.097 121.739 119.600 0.069 0.000 2.446 257 M HA -0.102 4.378 4.480 0.000 0.000 0.263 257 M C 0.214 176.535 176.300 0.035 0.000 1.066 257 M CA 1.160 56.490 55.300 0.050 0.000 1.087 257 M CB -0.375 32.255 32.600 0.050 0.000 1.406 257 M HN 0.069 nan 8.290 nan 0.000 0.459 258 N N 1.310 120.026 118.700 0.027 0.000 2.409 258 N HA 0.019 4.759 4.740 0.000 0.000 0.179 258 N C 1.718 177.233 175.510 0.008 0.000 1.032 258 N CA 0.852 53.912 53.050 0.016 0.000 0.898 258 N CB -0.002 38.491 38.487 0.010 0.000 0.971 258 N HN 0.581 nan 8.380 nan 0.000 0.441 259 R N -0.135 120.370 120.500 0.007 0.000 2.064 259 R HA 0.228 4.568 4.340 0.000 0.000 0.210 259 R C 0.222 176.529 176.300 0.011 0.000 1.221 259 R CA 0.109 56.211 56.100 0.003 0.000 1.055 259 R CB -0.094 30.202 30.300 -0.006 0.000 0.946 259 R HN -0.113 nan 8.270 nan 0.000 0.459 260 V N 3.720 123.647 119.914 0.022 0.000 2.485 260 V HA 0.042 4.162 4.120 0.000 0.000 0.287 260 V C 0.644 176.753 176.094 0.025 0.000 1.022 260 V CA 0.328 62.644 62.300 0.026 0.000 1.067 260 V CB 0.510 32.358 31.823 0.041 0.000 0.967 260 V HN 0.255 nan 8.190 nan 0.000 0.479 261 R N 2.698 123.208 120.500 0.016 0.000 2.574 261 R HA 0.331 4.671 4.340 0.000 0.000 0.266 261 R C 1.112 177.419 176.300 0.012 0.000 1.157 261 R CA -0.875 55.233 56.100 0.012 0.000 1.187 261 R CB 0.328 30.630 30.300 0.003 0.000 1.179 261 R HN 0.550 nan 8.270 nan 0.000 0.600 262 L N 0.735 121.961 121.223 0.004 0.000 2.005 262 L HA 0.040 4.380 4.340 0.000 0.000 0.207 262 L C 1.867 178.715 176.870 -0.037 0.000 1.072 262 L CA 2.176 57.011 54.840 -0.009 0.000 0.744 262 L CB -0.894 41.155 42.059 -0.016 0.000 0.895 262 L HN 0.859 nan 8.230 nan 0.000 0.433 263 G N -1.606 107.172 108.800 -0.038 0.000 2.807 263 G HA2 -0.146 3.814 3.960 0.000 0.000 0.207 263 G HA3 -0.146 3.814 3.960 0.000 0.000 0.207 263 G C 1.133 176.012 174.900 -0.033 0.000 1.151 263 G CA 0.342 45.414 45.100 -0.047 0.000 0.800 263 G HN 0.578 nan 8.290 nan 0.000 0.523 264 Q N -0.793 118.996 119.800 -0.019 0.000 2.217 264 Q HA 0.319 4.659 4.340 0.000 0.000 0.217 264 Q C 0.317 176.319 176.000 0.002 0.000 0.844 264 Q CA -0.328 55.470 55.803 -0.007 0.000 0.957 264 Q CB 0.794 29.533 28.738 0.001 0.000 1.127 264 Q HN 0.346 nan 8.270 nan 0.000 0.503 265 L N 1.796 123.020 121.223 0.001 0.000 2.380 265 L HA 0.185 4.525 4.340 0.000 0.000 0.273 265 L C 0.263 177.146 176.870 0.021 0.000 1.138 265 L CA -0.188 54.670 54.840 0.029 0.000 0.832 265 L CB 1.015 43.113 42.059 0.064 0.000 1.124 265 L HN 0.021 nan 8.230 nan 0.000 0.454 266 T N -0.114 114.466 114.554 0.043 0.000 2.907 266 T HA 0.034 4.384 4.350 0.000 0.000 0.298 266 T C 0.816 175.561 174.700 0.075 0.000 1.017 266 T CA -0.610 61.513 62.100 0.039 0.000 1.118 266 T CB 0.907 69.796 68.868 0.035 0.000 0.948 266 T HN 0.666 nan 8.240 nan 0.000 0.531 267 D N 2.217 122.651 120.400 0.056 0.000 2.203 267 D HA -0.201 4.439 4.640 0.000 0.000 0.199 267 D C 1.817 178.201 176.300 0.140 0.000 0.997 267 D CA 1.311 55.370 54.000 0.099 0.000 0.863 267 D CB -0.112 40.720 40.800 0.054 0.000 0.928 267 D HN 0.485 nan 8.370 nan 0.000 0.458 268 R N 0.300 120.849 120.500 0.082 0.000 2.064 268 R HA -0.072 4.268 4.340 0.000 0.000 0.228 268 R C 1.770 178.100 176.300 0.049 0.000 1.144 268 R CA 1.666 57.798 56.100 0.053 0.000 0.932 268 R CB -0.513 29.802 30.300 0.026 0.000 0.833 268 R HN 0.405 nan 8.270 nan 0.000 0.429 269 D N -0.007 120.425 120.400 0.053 0.000 2.350 269 D HA -0.170 4.470 4.640 0.000 0.000 0.216 269 D C 1.518 177.860 176.300 0.070 0.000 0.968 269 D CA 0.513 54.534 54.000 0.034 0.000 0.894 269 D CB -0.291 40.522 40.800 0.022 0.000 0.909 269 D HN 0.182 nan 8.370 nan 0.000 0.520 270 F N 1.561 121.499 119.950 -0.019 0.000 2.098 270 F HA -0.027 4.500 4.527 0.000 0.000 0.294 270 F C 2.166 177.955 175.800 -0.018 0.000 1.107 270 F CA 1.117 59.107 58.000 -0.016 0.000 1.234 270 F CB -0.417 38.576 39.000 -0.012 0.000 1.002 270 F HN -0.101 nan 8.300 nan 0.000 0.472 271 S N 0.630 116.226 115.700 -0.174 0.000 2.399 271 S HA -0.199 4.271 4.470 0.000 0.000 0.231 271 S C 2.085 176.552 174.600 -0.222 0.000 1.022 271 S CA 1.190 59.234 58.200 -0.261 0.000 0.983 271 S CB -0.497 62.662 63.200 -0.069 0.000 0.803 271 S HN 0.413 nan 8.310 nan 0.000 0.480 272 R N 1.366 121.782 120.500 -0.140 0.000 2.081 272 R HA -0.083 4.257 4.340 0.000 0.000 0.235 272 R C 2.367 178.582 176.300 -0.141 0.000 1.131 272 R CA 1.470 57.503 56.100 -0.112 0.000 0.960 272 R CB -0.385 29.873 30.300 -0.070 0.000 0.856 272 R HN 0.563 nan 8.270 nan 0.000 0.436 273 L N -1.224 119.894 121.223 -0.175 0.000 2.313 273 L HA 0.080 4.420 4.340 0.000 0.000 0.214 273 L C 1.664 178.405 176.870 -0.215 0.000 1.119 273 L CA 0.624 55.367 54.840 -0.162 0.000 0.809 273 L CB 0.018 42.012 42.059 -0.107 0.000 0.933 273 L HN -0.086 nan 8.230 nan 0.000 0.449 274 V N 0.561 120.273 119.914 -0.337 0.000 2.515 274 V HA -0.183 3.937 4.120 0.000 0.000 0.250 274 V C 2.208 178.191 176.094 -0.184 0.000 1.058 274 V CA 1.876 63.992 62.300 -0.307 0.000 1.064 274 V CB -0.669 30.898 31.823 -0.426 0.000 0.675 274 V HN 0.488 nan 8.190 nan 0.000 0.461 275 D N 0.017 120.320 120.400 -0.162 0.000 2.123 275 D HA -0.084 4.556 4.640 0.000 0.000 0.200 275 D C 2.208 178.451 176.300 -0.096 0.000 0.976 275 D CA 1.059 54.992 54.000 -0.111 0.000 0.831 275 D CB 0.073 40.816 40.800 -0.095 0.000 0.974 275 D HN 0.287 nan 8.370 nan 0.000 0.469 276 V N 1.507 121.361 119.914 -0.101 0.000 2.407 276 V HA -0.216 3.904 4.120 0.000 0.000 0.248 276 V C 2.485 178.531 176.094 -0.080 0.000 1.055 276 V CA 1.737 63.987 62.300 -0.084 0.000 1.049 276 V CB -0.571 31.203 31.823 -0.082 0.000 0.662 276 V HN 0.163 nan 8.190 nan 0.000 0.455 277 A N -0.774 121.990 122.820 -0.092 0.000 2.015 277 A HA -0.143 4.177 4.320 0.000 0.000 0.219 277 A C 2.448 179.987 177.584 -0.075 0.000 1.163 277 A CA 1.856 53.844 52.037 -0.081 0.000 0.646 277 A CB -0.433 18.512 19.000 -0.091 0.000 0.806 277 A HN 0.516 nan 8.150 nan 0.000 0.448 278 S N -0.265 115.387 115.700 -0.079 0.000 2.345 278 S HA -0.128 4.342 4.470 0.000 0.000 0.220 278 S C 2.085 176.648 174.600 -0.062 0.000 1.031 278 S CA 1.243 59.403 58.200 -0.068 0.000 0.996 278 S CB -0.305 62.855 63.200 -0.067 0.000 0.882 278 S HN 0.616 nan 8.310 nan 0.000 0.445 279 R N 0.363 120.825 120.500 -0.063 0.000 2.096 279 R HA -0.026 4.314 4.340 0.000 0.000 0.235 279 R C 2.279 178.540 176.300 -0.064 0.000 1.127 279 R CA 1.019 57.083 56.100 -0.060 0.000 0.968 279 R CB -0.529 29.736 30.300 -0.059 0.000 0.861 279 R HN 0.250 nan 8.270 nan 0.000 0.440 280 L N 0.402 121.585 121.223 -0.066 0.000 2.056 280 L HA -0.115 4.225 4.340 0.000 0.000 0.207 280 L C 2.318 179.141 176.870 -0.079 0.000 1.078 280 L CA 1.610 56.408 54.840 -0.071 0.000 0.749 280 L CB -0.493 41.528 42.059 -0.064 0.000 0.901 280 L HN 0.018 nan 8.230 nan 0.000 0.433 281 S N -0.961 114.697 115.700 -0.070 0.000 2.442 281 S HA -0.168 4.302 4.470 0.000 0.000 0.236 281 S C 1.686 176.242 174.600 -0.073 0.000 1.007 281 S CA 1.318 59.477 58.200 -0.069 0.000 0.965 281 S CB -0.286 62.880 63.200 -0.056 0.000 0.773 281 S HN 0.602 nan 8.310 nan 0.000 0.504 282 E N 0.470 120.627 120.200 -0.071 0.000 2.474 282 E HA 0.232 4.582 4.350 0.000 0.000 0.194 282 E C 0.526 177.075 176.600 -0.084 0.000 1.041 282 E CA 0.016 56.376 56.400 -0.066 0.000 0.874 282 E CB 0.265 29.934 29.700 -0.053 0.000 0.914 282 E HN 0.523 nan 8.360 nan 0.000 0.498 283 A N 3.376 126.133 122.820 -0.105 0.000 2.440 283 A HA 0.179 4.499 4.320 0.000 0.000 0.251 283 A C -2.022 175.439 177.584 -0.205 0.000 1.089 283 A CA -1.130 50.830 52.037 -0.129 0.000 0.779 283 A CB -0.070 18.855 19.000 -0.124 0.000 1.022 283 A HN -0.094 nan 8.150 nan 0.000 0.492 284 P HA 0.267 nan 4.420 nan 0.000 0.225 284 P C -0.881 176.083 177.300 -0.561 0.000 1.813 284 P CA 0.446 63.337 63.100 -0.350 0.000 1.013 284 P CB -0.472 31.182 31.700 -0.077 0.000 1.961 285 I N 2.405 122.587 120.570 -0.646 0.000 2.378 285 I HA 0.324 4.494 4.170 0.000 0.000 0.291 285 I C -0.272 175.446 176.117 -0.665 0.000 0.992 285 I CA -1.112 59.892 61.300 -0.493 0.000 1.154 285 I CB 1.273 39.129 38.000 -0.238 0.000 1.315 285 I HN 0.052 nan 8.210 nan 0.000 0.448 286 Y N 6.329 126.589 120.300 -0.068 0.000 2.341 286 Y HA 0.611 5.161 4.550 0.000 0.000 0.338 286 Y C -0.111 175.709 175.900 -0.134 0.000 0.965 286 Y CA -0.786 57.261 58.100 -0.089 0.000 1.108 286 Y CB 1.422 39.830 38.460 -0.087 0.000 1.180 286 Y HN 0.313 nan 8.280 nan 0.000 0.458 287 I N 3.390 123.951 120.570 -0.015 0.000 2.389 287 I HA 0.261 4.431 4.170 0.000 0.000 0.288 287 I C -0.900 175.149 176.117 -0.113 0.000 0.999 287 I CA -0.669 60.579 61.300 -0.087 0.000 1.129 287 I CB 1.550 39.516 38.000 -0.056 0.000 1.288 287 I HN 0.549 nan 8.210 nan 0.000 0.444 288 D N 6.059 126.318 120.400 -0.235 0.000 2.349 288 D HA 0.150 4.790 4.640 0.000 0.000 0.232 288 D C -0.198 176.058 176.300 -0.074 0.000 1.071 288 D CA -0.322 53.571 54.000 -0.179 0.000 0.832 288 D CB 1.491 42.098 40.800 -0.322 0.000 1.086 288 D HN 0.598 nan 8.370 nan 0.000 0.504 289 D N 1.508 121.901 120.400 -0.013 0.000 2.462 289 D HA 0.009 4.649 4.640 0.000 0.000 0.221 289 D C -0.306 176.014 176.300 0.033 0.000 1.173 289 D CA -0.263 53.747 54.000 0.016 0.000 0.831 289 D CB -0.350 40.456 40.800 0.010 0.000 1.001 289 D HN 0.084 nan 8.370 nan 0.000 0.499 290 T N 3.225 117.810 114.554 0.052 0.000 2.792 290 T HA 0.074 4.424 4.350 0.000 0.000 0.286 290 T C -1.315 173.409 174.700 0.042 0.000 0.970 290 T CA -0.652 61.477 62.100 0.048 0.000 1.187 290 T CB 1.357 70.262 68.868 0.062 0.000 0.915 290 T HN 0.141 nan 8.240 nan 0.000 0.529 291 P HA 0.019 nan 4.420 nan 0.000 0.229 291 P C 0.383 177.674 177.300 -0.015 0.000 1.160 291 P CA 1.003 64.104 63.100 0.002 0.000 0.777 291 P CB 0.367 32.067 31.700 0.001 0.000 0.814 292 D N -1.014 119.381 120.400 -0.009 0.000 2.785 292 D HA 0.162 4.802 4.640 0.000 0.000 0.324 292 D C 0.023 176.310 176.300 -0.021 0.000 1.523 292 D CA -0.292 53.696 54.000 -0.020 0.000 0.789 292 D CB -0.481 40.311 40.800 -0.013 0.000 1.171 292 D HN -0.064 nan 8.370 nan 0.000 0.447 293 L N 1.365 122.577 121.223 -0.019 0.000 2.525 293 L HA 0.160 4.500 4.340 0.000 0.000 0.278 293 L C 1.366 178.210 176.870 -0.044 0.000 1.218 293 L CA 0.211 55.035 54.840 -0.028 0.000 0.878 293 L CB 0.420 42.459 42.059 -0.033 0.000 1.127 293 L HN 0.200 nan 8.230 nan 0.000 0.492 294 T N -0.281 114.248 114.554 -0.042 0.000 2.816 294 T HA 0.193 4.543 4.350 0.000 0.000 0.282 294 T C 0.896 175.559 174.700 -0.062 0.000 0.993 294 T CA -0.827 61.247 62.100 -0.042 0.000 0.994 294 T CB 1.262 70.111 68.868 -0.032 0.000 1.025 294 T HN 0.480 nan 8.240 nan 0.000 0.529 295 L N 0.737 121.927 121.223 -0.055 0.000 1.989 295 L HA -0.039 4.301 4.340 0.000 0.000 0.211 295 L C 2.463 179.291 176.870 -0.070 0.000 1.071 295 L CA 1.862 56.663 54.840 -0.066 0.000 0.749 295 L CB -1.069 40.962 42.059 -0.045 0.000 0.890 295 L HN 0.668 nan 8.230 nan 0.000 0.431 296 M N -0.478 119.091 119.600 -0.051 0.000 2.106 296 M HA -0.252 4.228 4.480 0.000 0.000 0.259 296 M C 2.220 178.488 176.300 -0.054 0.000 1.068 296 M CA 1.833 57.106 55.300 -0.045 0.000 1.100 296 M CB -1.231 31.350 32.600 -0.032 0.000 1.351 296 M HN 0.427 nan 8.290 nan 0.000 0.404 297 E N -0.395 119.772 120.200 -0.056 0.000 2.077 297 E HA -0.144 4.206 4.350 0.000 0.000 0.193 297 E C 2.140 178.685 176.600 -0.092 0.000 0.989 297 E CA 1.210 57.578 56.400 -0.053 0.000 0.800 297 E CB -0.103 29.575 29.700 -0.038 0.000 0.746 297 E HN 0.255 nan 8.360 nan 0.000 0.452 298 V N 1.237 121.055 119.914 -0.161 0.000 2.332 298 V HA -0.292 3.828 4.120 0.000 0.000 0.248 298 V C 2.265 178.218 176.094 -0.235 0.000 1.055 298 V CA 1.854 63.959 62.300 -0.325 0.000 1.038 298 V CB -0.452 31.131 31.823 -0.400 0.000 0.651 298 V HN 0.202 nan 8.190 nan 0.000 0.450 299 R N 0.002 120.419 120.500 -0.139 0.000 2.080 299 R HA -0.158 4.182 4.340 0.000 0.000 0.236 299 R C 2.472 178.740 176.300 -0.054 0.000 1.137 299 R CA 1.636 57.685 56.100 -0.085 0.000 0.943 299 R CB -0.729 29.535 30.300 -0.060 0.000 0.846 299 R HN 0.532 nan 8.270 nan 0.000 0.431 300 A N 1.194 123.987 122.820 -0.044 0.000 1.908 300 A HA -0.208 4.112 4.320 0.000 0.000 0.218 300 A C 2.127 179.710 177.584 -0.003 0.000 1.181 300 A CA 1.520 53.543 52.037 -0.023 0.000 0.627 300 A CB -0.416 18.572 19.000 -0.020 0.000 0.818 300 A HN 0.245 nan 8.150 nan 0.000 0.445 301 R N -0.681 119.825 120.500 0.010 0.000 2.075 301 R HA -0.006 4.334 4.340 0.000 0.000 0.232 301 R C 2.528 178.894 176.300 0.109 0.000 1.126 301 R CA 1.091 57.239 56.100 0.079 0.000 0.963 301 R CB -0.473 29.928 30.300 0.169 0.000 0.858 301 R HN 0.512 nan 8.270 nan 0.000 0.435 302 A N 1.520 124.385 122.820 0.075 0.000 1.883 302 A HA -0.213 4.107 4.320 0.000 0.000 0.217 302 A C 2.085 179.694 177.584 0.042 0.000 1.186 302 A CA 1.428 53.520 52.037 0.092 0.000 0.624 302 A CB -0.442 18.571 19.000 0.023 0.000 0.822 302 A HN 0.230 nan 8.150 nan 0.000 0.444 303 R N -0.857 119.649 120.500 0.011 0.000 2.083 303 R HA -0.131 4.209 4.340 0.000 0.000 0.237 303 R C 2.501 178.793 176.300 -0.012 0.000 1.137 303 R CA 1.635 57.732 56.100 -0.005 0.000 0.951 303 R CB -0.361 29.931 30.300 -0.013 0.000 0.851 303 R HN 0.503 nan 8.270 nan 0.000 0.434 304 R N 0.450 120.946 120.500 -0.007 0.000 2.073 304 R HA -0.141 4.199 4.340 0.000 0.000 0.234 304 R C 2.388 178.661 176.300 -0.044 0.000 1.134 304 R CA 1.235 57.322 56.100 -0.021 0.000 0.952 304 R CB -0.499 29.794 30.300 -0.011 0.000 0.850 304 R HN 0.122 nan 8.270 nan 0.000 0.433 305 L N 0.647 121.850 121.223 -0.033 0.000 1.994 305 L HA -0.147 4.193 4.340 0.000 0.000 0.208 305 L C 2.120 178.918 176.870 -0.120 0.000 1.071 305 L CA 1.629 56.412 54.840 -0.095 0.000 0.745 305 L CB -0.547 41.485 42.059 -0.044 0.000 0.892 305 L HN -0.094 nan 8.230 nan 0.000 0.431 306 V N -0.038 119.842 119.914 -0.056 0.000 2.469 306 V HA -0.270 3.850 4.120 0.000 0.000 0.251 306 V C 2.693 178.754 176.094 -0.056 0.000 1.064 306 V CA 1.842 64.113 62.300 -0.047 0.000 1.066 306 V CB -0.670 31.146 31.823 -0.012 0.000 0.667 306 V HN 0.811 nan 8.190 nan 0.000 0.461 307 S N -1.159 114.508 115.700 -0.056 0.000 2.439 307 S HA -0.121 4.349 4.470 0.000 0.000 0.224 307 S C 1.772 176.333 174.600 -0.065 0.000 1.029 307 S CA 0.584 58.754 58.200 -0.051 0.000 0.946 307 S CB -0.196 62.979 63.200 -0.041 0.000 0.797 307 S HN 0.652 nan 8.310 nan 0.000 0.504 308 Q N 1.224 120.970 119.800 -0.090 0.000 2.311 308 Q HA 0.249 4.589 4.340 0.000 0.000 0.203 308 Q C -0.210 175.710 176.000 -0.133 0.000 0.954 308 Q CA 0.531 56.272 55.803 -0.104 0.000 0.885 308 Q CB 0.110 28.776 28.738 -0.120 0.000 0.963 308 Q HN 0.553 nan 8.270 nan 0.000 0.471 309 N N 0.116 118.714 118.700 -0.171 0.000 2.329 309 N HA 0.050 4.790 4.740 0.000 0.000 0.282 309 N C -1.454 173.999 175.510 -0.094 0.000 1.198 309 N CA -0.520 52.419 53.050 -0.185 0.000 0.790 309 N CB 1.372 39.559 38.487 -0.499 0.000 1.579 309 N HN -0.060 nan 8.380 nan 0.000 0.475 310 Q N 1.883 121.672 119.800 -0.017 0.000 2.263 310 Q HA 0.167 4.507 4.340 0.000 0.000 0.270 310 Q C -1.395 174.636 176.000 0.052 0.000 1.104 310 Q CA 0.288 56.103 55.803 0.019 0.000 0.909 310 Q CB 0.125 28.884 28.738 0.036 0.000 1.214 310 Q HN 0.387 nan 8.270 nan 0.000 0.400 311 V N 3.795 123.728 119.914 0.032 0.000 2.524 311 V HA 0.423 4.543 4.120 0.000 0.000 0.297 311 V C 0.661 176.784 176.094 0.047 0.000 1.035 311 V CA -0.164 62.171 62.300 0.059 0.000 0.867 311 V CB 1.850 33.694 31.823 0.035 0.000 1.004 311 V HN 0.835 nan 8.190 nan 0.000 0.426 312 G N 4.092 112.924 108.800 0.053 0.000 3.324 312 G HA2 0.426 4.386 3.960 0.000 0.000 0.251 312 G HA3 0.426 4.386 3.960 0.000 0.000 0.251 312 G C -0.473 174.450 174.900 0.039 0.000 1.072 312 G CA 0.163 45.286 45.100 0.040 0.000 0.787 312 G HN 0.461 nan 8.290 nan 0.000 0.537 313 L N 0.567 121.820 121.223 0.051 0.000 2.513 313 L HA 0.646 4.986 4.340 0.000 0.000 0.261 313 L C -1.649 175.265 176.870 0.073 0.000 0.945 313 L CA -0.755 54.115 54.840 0.050 0.000 0.848 313 L CB 2.145 44.224 42.059 0.032 0.000 1.334 313 L HN -0.039 nan 8.230 nan 0.000 0.407 314 I N 5.292 125.912 120.570 0.083 0.000 2.509 314 I HA 0.527 4.697 4.170 0.000 0.000 0.293 314 I C -0.861 175.330 176.117 0.122 0.000 1.020 314 I CA -0.587 60.790 61.300 0.129 0.000 1.088 314 I CB 2.141 40.239 38.000 0.162 0.000 1.267 314 I HN 0.460 nan 8.210 nan 0.000 0.430 315 I N 6.264 126.925 120.570 0.151 0.000 2.436 315 I HA 0.379 4.549 4.170 0.000 0.000 0.289 315 I C -0.759 175.477 176.117 0.198 0.000 1.010 315 I CA -0.677 60.705 61.300 0.136 0.000 1.098 315 I CB 1.959 40.015 38.000 0.094 0.000 1.266 315 I HN 0.252 nan 8.210 nan 0.000 0.434 316 I N 4.946 125.613 120.570 0.162 0.000 2.330 316 I HA 0.281 4.451 4.170 0.000 0.000 0.289 316 I C -0.529 175.680 176.117 0.153 0.000 1.001 316 I CA -0.198 61.197 61.300 0.158 0.000 1.193 316 I CB 1.074 39.122 38.000 0.081 0.000 1.345 316 I HN 0.512 nan 8.210 nan 0.000 0.461 317 D N 8.254 128.749 120.400 0.159 0.000 2.420 317 D HA 0.421 5.061 4.640 0.000 0.000 0.255 317 D C -1.087 175.271 176.300 0.095 0.000 1.185 317 D CA -0.171 53.951 54.000 0.202 0.000 0.904 317 D CB 0.536 41.452 40.800 0.194 0.000 1.102 317 D HN 0.367 nan 8.370 nan 0.000 0.534 318 Y N 0.340 120.682 120.300 0.071 0.000 2.634 318 Y HA 0.430 4.980 4.550 0.000 0.000 0.340 318 Y C 1.065 176.994 175.900 0.049 0.000 1.058 318 Y CA -1.270 56.868 58.100 0.063 0.000 1.081 318 Y CB 0.748 39.244 38.460 0.061 0.000 1.295 318 Y HN 0.005 nan 8.280 nan 0.000 0.487 319 L N 0.374 121.731 121.223 0.224 0.000 2.021 319 L HA -0.265 4.075 4.340 0.000 0.000 0.215 319 L C 2.092 179.020 176.870 0.096 0.000 1.074 319 L CA 1.933 56.846 54.840 0.121 0.000 0.760 319 L CB -0.418 41.712 42.059 0.119 0.000 0.889 319 L HN 0.805 nan 8.230 nan 0.000 0.433 320 Q N -0.354 119.580 119.800 0.223 0.000 2.437 320 Q HA -0.088 4.252 4.340 0.000 0.000 0.210 320 Q C 1.940 177.965 176.000 0.042 0.000 0.972 320 Q CA 0.964 56.870 55.803 0.171 0.000 0.903 320 Q CB -0.200 28.712 28.738 0.292 0.000 0.967 320 Q HN 0.563 nan 8.270 nan 0.000 0.486 321 L N -0.247 120.886 121.223 -0.151 0.000 2.592 321 L HA 0.188 4.528 4.340 0.000 0.000 0.227 321 L C 0.839 177.638 176.870 -0.118 0.000 1.127 321 L CA -0.172 54.541 54.840 -0.211 0.000 0.884 321 L CB 0.049 41.828 42.059 -0.466 0.000 1.065 321 L HN 0.147 nan 8.230 nan 0.000 0.457 322 M N -0.511 119.043 119.600 -0.077 0.000 2.242 322 M HA 0.121 4.601 4.480 0.000 0.000 0.344 322 M C 0.432 176.713 176.300 -0.031 0.000 1.140 322 M CA 0.227 55.496 55.300 -0.052 0.000 1.160 322 M CB 1.215 33.789 32.600 -0.044 0.000 1.491 322 M HN -0.013 nan 8.290 nan 0.000 0.459 323 S N 0.486 116.168 115.700 -0.029 0.000 2.672 323 S HA 0.675 5.145 4.470 0.000 0.000 0.276 323 S C 0.202 174.792 174.600 -0.016 0.000 1.207 323 S CA -0.935 57.254 58.200 -0.018 0.000 1.002 323 S CB 1.530 64.720 63.200 -0.017 0.000 0.998 323 S HN 0.830 nan 8.310 nan 0.000 0.542 324 G N 0.700 109.494 108.800 -0.010 0.000 2.521 324 G HA2 0.661 4.621 3.960 0.000 0.000 0.323 324 G HA3 0.661 4.621 3.960 0.000 0.000 0.323 324 G C -2.449 172.446 174.900 -0.009 0.000 1.211 324 G CA -1.243 43.852 45.100 -0.009 0.000 0.979 324 G HN 0.521 nan 8.290 nan 0.000 0.490 334 R N 1.115 121.623 120.500 0.014 0.000 2.115 334 R HA 0.143 4.483 4.340 0.000 0.000 0.230 334 R C 1.520 177.832 176.300 0.019 0.000 1.111 334 R CA 1.342 57.452 56.100 0.017 0.000 0.976 334 R CB -0.173 30.139 30.300 0.021 0.000 0.870 334 R HN 0.556 nan 8.270 nan 0.000 0.445 335 Q N -0.037 119.774 119.800 0.018 0.000 2.046 335 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 335 Q C 2.112 178.122 176.000 0.016 0.000 0.975 335 Q CA 1.450 57.264 55.803 0.018 0.000 0.836 335 Q CB -0.034 28.714 28.738 0.015 0.000 0.896 335 Q HN 0.466 nan 8.270 nan 0.000 0.428 336 Q N 0.381 120.189 119.800 0.012 0.000 2.167 336 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 336 Q C 1.792 177.798 176.000 0.009 0.000 0.970 336 Q CA 0.934 56.742 55.803 0.010 0.000 0.855 336 Q CB 0.031 28.773 28.738 0.008 0.000 0.911 336 Q HN 0.427 nan 8.270 nan 0.000 0.438 337 E N 0.765 120.971 120.200 0.009 0.000 2.047 337 E HA -0.144 4.206 4.350 0.000 0.000 0.191 337 E C 1.982 178.587 176.600 0.009 0.000 0.987 337 E CA 0.794 57.198 56.400 0.007 0.000 0.799 337 E CB -0.030 29.675 29.700 0.007 0.000 0.752 337 E HN 0.329 nan 8.360 nan 0.000 0.449 338 I N 1.045 121.624 120.570 0.015 0.000 2.286 338 I HA -0.253 3.917 4.170 0.000 0.000 0.248 338 I C 2.445 178.572 176.117 0.017 0.000 1.115 338 I CA 0.876 62.189 61.300 0.021 0.000 1.392 338 I CB -0.164 37.856 38.000 0.032 0.000 1.065 338 I HN 0.079 nan 8.210 nan 0.000 0.418 339 A N 0.415 123.244 122.820 0.015 0.000 1.969 339 A HA -0.051 4.269 4.320 0.000 0.000 0.218 339 A C 2.483 180.072 177.584 0.007 0.000 1.169 339 A CA 1.539 53.583 52.037 0.013 0.000 0.635 339 A CB -0.609 18.398 19.000 0.012 0.000 0.810 339 A HN 0.413 nan 8.150 nan 0.000 0.445 340 A N -0.185 122.638 122.820 0.005 0.000 1.968 340 A HA 0.055 4.375 4.320 0.000 0.000 0.217 340 A C 2.062 179.643 177.584 -0.004 0.000 1.169 340 A CA 1.214 53.251 52.037 0.000 0.000 0.638 340 A CB -0.474 18.525 19.000 -0.001 0.000 0.812 340 A HN 0.469 nan 8.150 nan 0.000 0.446 341 I N 0.508 121.076 120.570 -0.003 0.000 2.163 341 I HA -0.247 3.923 4.170 0.000 0.000 0.240 341 I C 2.965 179.078 176.117 -0.007 0.000 1.081 341 I CA 1.659 62.954 61.300 -0.009 0.000 1.353 341 I CB -0.274 37.722 38.000 -0.007 0.000 1.054 341 I HN 0.502 nan 8.210 nan 0.000 0.407 342 S N 0.890 116.591 115.700 0.003 0.000 2.382 342 S HA -0.257 4.213 4.470 0.000 0.000 0.228 342 S C 2.141 176.741 174.600 0.001 0.000 1.027 342 S CA 1.204 59.407 58.200 0.005 0.000 0.991 342 S CB -0.513 62.696 63.200 0.014 0.000 0.823 342 S HN 0.354 nan 8.310 nan 0.000 0.469 343 R N 1.265 121.765 120.500 0.000 0.000 2.073 343 R HA 0.000 4.340 4.340 0.000 0.000 0.234 343 R C 2.555 178.851 176.300 -0.006 0.000 1.134 343 R CA 1.558 57.657 56.100 -0.001 0.000 0.952 343 R CB -1.109 29.191 30.300 -0.000 0.000 0.850 343 R HN 0.544 nan 8.270 nan 0.000 0.433 344 G N 0.478 109.272 108.800 -0.011 0.000 2.432 344 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 344 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 344 G C 1.390 176.277 174.900 -0.022 0.000 1.135 344 G CA 0.598 45.687 45.100 -0.018 0.000 0.767 344 G HN 0.239 nan 8.290 nan 0.000 0.550 345 L N -0.184 121.026 121.223 -0.021 0.000 2.109 345 L HA 0.022 4.362 4.340 0.000 0.000 0.207 345 L C 2.862 179.725 176.870 -0.011 0.000 1.086 345 L CA 0.847 55.675 54.840 -0.021 0.000 0.760 345 L CB -0.344 41.705 42.059 -0.018 0.000 0.910 345 L HN 0.080 nan 8.230 nan 0.000 0.437 346 K N 0.958 121.354 120.400 -0.006 0.000 2.032 346 K HA -0.194 4.126 4.320 0.000 0.000 0.209 346 K C 2.086 178.683 176.600 -0.004 0.000 1.048 346 K CA 1.754 58.039 56.287 -0.003 0.000 0.927 346 K CB -0.170 32.330 32.500 -0.001 0.000 0.712 346 K HN 0.262 nan 8.250 nan 0.000 0.441 347 A N 1.462 124.279 122.820 -0.006 0.000 1.883 347 A HA -0.187 4.133 4.320 0.000 0.000 0.217 347 A C 2.213 179.792 177.584 -0.009 0.000 1.186 347 A CA 1.557 53.590 52.037 -0.007 0.000 0.624 347 A CB -0.698 18.297 19.000 -0.008 0.000 0.822 347 A HN 0.347 nan 8.150 nan 0.000 0.444 348 L N -0.150 121.065 121.223 -0.014 0.000 2.012 348 L HA -0.124 4.216 4.340 0.000 0.000 0.210 348 L C 2.731 179.597 176.870 -0.007 0.000 1.073 348 L CA 2.335 57.166 54.840 -0.015 0.000 0.748 348 L CB -0.927 41.115 42.059 -0.027 0.000 0.891 348 L HN 0.382 nan 8.230 nan 0.000 0.431 349 A N -0.381 122.438 122.820 -0.003 0.000 1.884 349 A HA -0.265 4.055 4.320 0.000 0.000 0.219 349 A C 2.357 179.942 177.584 0.003 0.000 1.197 349 A CA 2.046 54.085 52.037 0.003 0.000 0.637 349 A CB -0.633 18.370 19.000 0.005 0.000 0.827 349 A HN 0.479 nan 8.150 nan 0.000 0.450 350 R N -0.495 120.005 120.500 0.000 0.000 2.083 350 R HA -0.177 4.163 4.340 0.000 0.000 0.237 350 R C 2.186 178.486 176.300 0.000 0.000 1.137 350 R CA 1.643 57.743 56.100 0.001 0.000 0.951 350 R CB -0.903 29.397 30.300 0.001 0.000 0.851 350 R HN 0.871 nan 8.270 nan 0.000 0.434 351 E N 0.770 120.969 120.200 -0.002 0.000 2.110 351 E HA -0.144 4.206 4.350 0.000 0.000 0.193 351 E C 1.784 178.382 176.600 -0.003 0.000 0.988 351 E CA 0.933 57.331 56.400 -0.004 0.000 0.804 351 E CB 0.069 29.765 29.700 -0.007 0.000 0.745 351 E HN 0.292 nan 8.360 nan 0.000 0.458 352 L N -0.894 120.329 121.223 -0.000 0.000 2.477 352 L HA 0.238 4.578 4.340 0.000 0.000 0.220 352 L C 1.430 178.303 176.870 0.006 0.000 1.106 352 L CA 0.330 55.172 54.840 0.003 0.000 0.851 352 L CB 0.157 42.220 42.059 0.007 0.000 0.994 352 L HN 0.330 nan 8.230 nan 0.000 0.462 353 G N 2.206 111.009 108.800 0.005 0.000 2.246 353 G HA2 -0.280 3.680 3.960 0.000 0.000 0.273 353 G HA3 -0.280 3.680 3.960 0.000 0.000 0.273 353 G C 0.072 174.977 174.900 0.009 0.000 1.055 353 G CA 0.730 45.833 45.100 0.005 0.000 0.851 353 G HN 0.510 nan 8.290 nan 0.000 0.500 354 I N -3.431 117.146 120.570 0.012 0.000 2.934 354 I HA 0.841 5.011 4.170 0.000 0.000 0.306 354 I C -2.597 173.531 176.117 0.018 0.000 1.110 354 I CA -3.401 57.910 61.300 0.018 0.000 1.019 354 I CB 2.619 40.635 38.000 0.026 0.000 1.227 354 I HN -0.093 nan 8.210 nan 0.000 0.434 355 P HA 0.410 nan 4.420 nan 0.000 0.278 355 P C -0.973 176.344 177.300 0.029 0.000 1.238 355 P CA -0.026 63.085 63.100 0.020 0.000 0.794 355 P CB 1.464 33.175 31.700 0.018 0.000 0.955 356 I N 3.207 123.794 120.570 0.028 0.000 2.436 356 I HA 0.343 4.513 4.170 0.000 0.000 0.289 356 I C 0.259 176.399 176.117 0.039 0.000 1.010 356 I CA -1.058 60.265 61.300 0.039 0.000 1.098 356 I CB 1.726 39.746 38.000 0.032 0.000 1.266 356 I HN 0.073 nan 8.210 nan 0.000 0.434 357 I N 5.134 125.736 120.570 0.052 0.000 2.331 357 I HA 0.486 4.656 4.170 0.000 0.000 0.292 357 I C 0.402 176.560 176.117 0.069 0.000 0.998 357 I CA -0.280 61.054 61.300 0.057 0.000 1.267 357 I CB 1.348 39.387 38.000 0.065 0.000 1.386 357 I HN 0.566 nan 8.210 nan 0.000 0.476 358 A N 7.909 130.766 122.820 0.062 0.000 2.318 358 A HA 0.734 5.054 4.320 0.000 0.000 0.317 358 A C -0.489 177.148 177.584 0.088 0.000 1.159 358 A CA -0.600 51.482 52.037 0.075 0.000 0.799 358 A CB 1.001 20.034 19.000 0.055 0.000 1.194 358 A HN 0.685 nan 8.150 nan 0.000 0.479 359 L N 1.678 122.975 121.223 0.124 0.000 2.350 359 L HA 0.622 4.962 4.340 0.000 0.000 0.275 359 L C 0.614 177.570 176.870 0.143 0.000 1.099 359 L CA -0.307 54.611 54.840 0.130 0.000 0.808 359 L CB 1.609 43.766 42.059 0.164 0.000 1.149 359 L HN 0.670 nan 8.230 nan 0.000 0.442 360 S N 1.391 117.145 115.700 0.090 0.000 2.541 360 S HA 0.424 4.894 4.470 0.000 0.000 0.280 360 S C -0.795 173.815 174.600 0.017 0.000 1.112 360 S CA -0.832 57.419 58.200 0.085 0.000 0.925 360 S CB 1.707 64.958 63.200 0.086 0.000 1.067 360 S HN 0.508 nan 8.310 nan 0.000 0.479 361 Q N 2.429 122.221 119.800 -0.013 0.000 2.260 361 Q HA 0.549 4.889 4.340 0.000 0.000 0.238 361 Q C -0.627 175.368 176.000 -0.007 0.000 0.948 361 Q CA -0.378 55.383 55.803 -0.070 0.000 0.895 361 Q CB 1.204 29.871 28.738 -0.119 0.000 1.218 361 Q HN 0.653 nan 8.270 nan 0.000 0.470 362 L N -0.043 121.167 121.223 -0.021 0.000 2.333 362 L HA 0.426 4.766 4.340 0.000 0.000 0.269 362 L C 0.523 177.386 176.870 -0.012 0.000 1.010 362 L CA -0.815 54.017 54.840 -0.013 0.000 0.818 362 L CB 1.906 43.944 42.059 -0.035 0.000 1.306 362 L HN 0.552 nan 8.230 nan 0.000 0.430 363 S N 0.163 115.857 115.700 -0.010 0.000 2.589 363 S HA 0.118 4.588 4.470 0.000 0.000 0.265 363 S C 1.143 175.741 174.600 -0.004 0.000 1.342 363 S CA -0.038 58.160 58.200 -0.003 0.000 1.005 363 S CB 0.667 63.863 63.200 -0.007 0.000 0.909 363 S HN 0.618 nan 8.310 nan 0.000 0.555 364 R N 1.564 122.070 120.500 0.010 0.000 2.237 364 R HA -0.011 4.329 4.340 0.000 0.000 0.219 364 R C 2.355 178.652 176.300 -0.004 0.000 1.080 364 R CA 1.028 57.140 56.100 0.019 0.000 0.995 364 R CB -0.599 29.719 30.300 0.029 0.000 0.875 364 R HN 0.707 nan 8.270 nan 0.000 0.462 365 A N 0.622 123.431 122.820 -0.018 0.000 1.917 365 A HA -0.186 4.134 4.320 0.000 0.000 0.219 365 A C 2.216 179.763 177.584 -0.061 0.000 1.182 365 A CA 1.787 53.803 52.037 -0.035 0.000 0.633 365 A CB -0.670 18.309 19.000 -0.034 0.000 0.819 365 A HN 0.146 nan 8.150 nan 0.000 0.448 366 V N 0.012 119.881 119.914 -0.075 0.000 2.453 366 V HA -0.300 3.820 4.120 0.000 0.000 0.252 366 V C 2.183 178.193 176.094 -0.139 0.000 1.068 366 V CA 2.397 64.626 62.300 -0.119 0.000 1.070 366 V CB -0.885 30.863 31.823 -0.125 0.000 0.664 366 V HN 0.684 nan 8.190 nan 0.000 0.461 367 E N 0.018 120.159 120.200 -0.098 0.000 2.442 367 E HA 0.177 4.527 4.350 0.000 0.000 0.195 367 E C 1.612 178.154 176.600 -0.096 0.000 1.030 367 E CA 0.550 56.876 56.400 -0.124 0.000 0.869 367 E CB -0.051 29.651 29.700 0.003 0.000 0.857 367 E HN 0.563 nan 8.360 nan 0.000 0.505 368 A N 2.240 125.018 122.820 -0.069 0.000 2.543 368 A HA 0.113 4.433 4.320 0.000 0.000 0.258 368 A C 0.213 177.757 177.584 -0.067 0.000 1.391 368 A CA -0.146 51.860 52.037 -0.052 0.000 1.066 368 A CB -0.746 18.233 19.000 -0.034 0.000 0.972 368 A HN 0.180 nan 8.150 nan 0.000 0.560 369 R N -2.814 117.629 120.500 -0.094 0.000 2.663 369 R HA 0.534 4.874 4.340 0.000 0.000 0.267 369 R C -2.871 173.361 176.300 -0.113 0.000 1.038 369 R CA -1.407 54.636 56.100 -0.096 0.000 0.886 369 R CB 0.089 30.326 30.300 -0.105 0.000 1.249 369 R HN -0.083 nan 8.270 nan 0.000 0.463 370 P HA -0.255 nan 4.420 nan 0.000 0.213 370 P C -0.328 176.900 177.300 -0.121 0.000 1.176 370 P CA 1.302 64.351 63.100 -0.086 0.000 0.919 370 P CB -0.013 31.648 31.700 -0.065 0.000 0.791 371 N N 0.226 118.843 118.700 -0.138 0.000 2.549 371 N HA -0.026 4.714 4.740 0.000 0.000 0.267 371 N C 0.072 175.425 175.510 -0.262 0.000 1.182 371 N CA 0.039 52.975 53.050 -0.189 0.000 1.019 371 N CB -0.131 38.251 38.487 -0.176 0.000 1.380 371 N HN 0.043 nan 8.380 nan 0.000 0.505 372 K N 2.035 122.251 120.400 -0.307 0.000 2.668 372 K HA -0.022 4.298 4.320 0.000 0.000 0.204 372 K C 0.270 176.654 176.600 -0.361 0.000 1.016 372 K CA 0.196 56.242 56.287 -0.401 0.000 1.131 372 K CB 0.038 32.091 32.500 -0.745 0.000 0.891 372 K HN 0.544 nan 8.250 nan 0.000 0.499 373 R N 0.119 120.323 120.500 -0.493 0.000 2.474 373 R HA 0.383 4.723 4.340 0.000 0.000 0.295 373 R C -2.923 173.150 176.300 -0.378 0.000 0.980 373 R CA -2.245 53.534 56.100 -0.534 0.000 0.934 373 R CB 0.480 30.201 30.300 -0.966 0.000 1.101 373 R HN -0.242 nan 8.270 nan 0.000 0.469 374 P HA 0.129 nan 4.420 nan 0.000 0.272 374 P C -0.621 176.236 177.300 -0.740 0.000 1.240 374 P CA -0.335 62.381 63.100 -0.641 0.000 0.791 374 P CB 0.661 31.807 31.700 -0.923 0.000 0.978 375 M N -1.031 118.085 119.600 -0.806 0.000 2.578 375 M HA 0.347 4.827 4.480 0.000 0.000 0.276 375 M C 0.218 176.359 176.300 -0.265 0.000 1.245 375 M CA -0.856 54.194 55.300 -0.417 0.000 0.871 375 M CB 1.326 33.808 32.600 -0.196 0.000 1.722 375 M HN -0.007 nan 8.290 nan 0.000 0.473 376 L N 1.244 122.559 121.223 0.153 0.000 2.034 376 L HA -0.270 4.070 4.340 0.000 0.000 0.217 376 L C 2.792 179.714 176.870 0.087 0.000 1.077 376 L CA 2.613 57.599 54.840 0.244 0.000 0.769 376 L CB -0.623 41.538 42.059 0.169 0.000 0.890 376 L HN 1.116 nan 8.230 nan 0.000 0.435 377 S N -0.814 114.889 115.700 0.006 0.000 2.380 377 S HA -0.282 4.188 4.470 0.000 0.000 0.229 377 S C 1.567 176.148 174.600 -0.031 0.000 1.043 377 S CA 1.688 59.879 58.200 -0.016 0.000 1.038 377 S CB -0.674 62.504 63.200 -0.038 0.000 0.872 377 S HN 0.439 nan 8.310 nan 0.000 0.456 378 D N 1.674 122.023 120.400 -0.086 0.000 2.228 378 D HA -0.061 4.579 4.640 0.000 0.000 0.203 378 D C 1.840 178.123 176.300 -0.029 0.000 0.988 378 D CA 1.021 54.964 54.000 -0.096 0.000 0.864 378 D CB -0.317 40.361 40.800 -0.203 0.000 0.928 378 D HN 0.451 nan 8.370 nan 0.000 0.469 379 L N 0.652 121.892 121.223 0.029 0.000 2.156 379 L HA -0.067 4.273 4.340 0.000 0.000 0.208 379 L C 2.442 179.337 176.870 0.042 0.000 1.095 379 L CA 0.534 55.416 54.840 0.069 0.000 0.770 379 L CB -0.240 41.900 42.059 0.134 0.000 0.914 379 L HN 0.049 nan 8.230 nan 0.000 0.439 380 R N 0.053 120.570 120.500 0.028 0.000 2.341 380 R HA -0.178 4.162 4.340 0.000 0.000 0.213 380 R C 1.736 178.043 176.300 0.012 0.000 1.082 380 R CA 0.997 57.108 56.100 0.019 0.000 1.017 380 R CB -0.480 29.827 30.300 0.012 0.000 0.860 380 R HN 0.347 nan 8.270 nan 0.000 0.473 381 E N 2.199 122.405 120.200 0.009 0.000 2.285 381 E HA -0.093 4.257 4.350 0.000 0.000 0.194 381 E C 0.342 176.951 176.600 0.015 0.000 0.997 381 E CA 1.289 57.693 56.400 0.006 0.000 0.845 381 E CB 0.177 29.876 29.700 -0.003 0.000 0.782 381 E HN 0.477 nan 8.360 nan 0.000 0.491 382 S N -0.226 115.488 115.700 0.024 0.000 2.506 382 S HA 0.520 4.990 4.470 0.000 0.000 0.245 382 S C 0.650 175.267 174.600 0.028 0.000 1.088 382 S CA -0.013 58.205 58.200 0.030 0.000 1.099 382 S CB 0.394 63.618 63.200 0.041 0.000 0.805 382 S HN 0.465 nan 8.310 nan 0.000 0.461 383 G N 1.404 110.217 108.800 0.022 0.000 2.725 383 G HA2 -0.183 3.777 3.960 0.000 0.000 0.220 383 G HA3 -0.183 3.777 3.960 0.000 0.000 0.220 383 G C -0.113 174.799 174.900 0.020 0.000 1.357 383 G CA -0.421 44.690 45.100 0.019 0.000 0.866 383 G HN 0.842 nan 8.290 nan 0.000 0.548 384 S N -0.229 115.481 115.700 0.016 0.000 4.175 384 S HA 0.344 4.814 4.470 0.000 0.000 0.193 384 S C 1.529 176.139 174.600 0.017 0.000 1.373 384 S CA 0.517 58.727 58.200 0.015 0.000 0.908 384 S CB -0.836 62.371 63.200 0.011 0.000 1.547 384 S HN 0.988 nan 8.310 nan 0.000 0.440 385 I N 1.503 122.087 120.570 0.022 0.000 3.172 385 I HA 0.150 4.320 4.170 0.000 0.000 0.278 385 I C 2.116 178.247 176.117 0.022 0.000 1.174 385 I CA 0.421 61.735 61.300 0.023 0.000 1.445 385 I CB -0.148 37.871 38.000 0.032 0.000 1.175 385 I HN 0.567 nan 8.210 nan 0.000 0.447 386 E N 0.777 120.994 120.200 0.028 0.000 2.085 386 E HA -0.304 4.046 4.350 0.000 0.000 0.194 386 E C 1.975 178.584 176.600 0.014 0.000 0.994 386 E CA 1.442 57.857 56.400 0.025 0.000 0.801 386 E CB -0.108 29.615 29.700 0.037 0.000 0.743 386 E HN 0.588 nan 8.360 nan 0.000 0.453 387 Q N 0.106 119.915 119.800 0.013 0.000 2.135 387 Q HA -0.197 4.143 4.340 0.000 0.000 0.204 387 Q C 1.231 177.235 176.000 0.006 0.000 0.981 387 Q CA 1.914 57.722 55.803 0.009 0.000 0.856 387 Q CB -0.061 28.682 28.738 0.009 0.000 0.902 387 Q HN 0.518 nan 8.270 nan 0.000 0.425 388 D N -1.368 119.036 120.400 0.006 0.000 2.349 388 D HA 0.193 4.833 4.640 0.000 0.000 0.214 388 D C -0.204 176.097 176.300 0.001 0.000 1.063 388 D CA -0.026 53.976 54.000 0.004 0.000 0.847 388 D CB 0.306 41.109 40.800 0.004 0.000 0.933 388 D HN 0.071 nan 8.370 nan 0.000 0.513 389 A N 0.608 123.428 122.820 -0.002 0.000 2.289 389 A HA 0.260 4.580 4.320 0.000 0.000 0.298 389 A C 0.691 178.267 177.584 -0.014 0.000 1.208 389 A CA -0.666 51.365 52.037 -0.009 0.000 0.845 389 A CB 0.731 19.720 19.000 -0.018 0.000 1.125 389 A HN 0.039 nan 8.150 nan 0.000 0.517 390 D N 0.891 121.283 120.400 -0.013 0.000 2.162 390 D HA 0.005 4.645 4.640 0.000 0.000 0.203 390 D C 0.086 176.372 176.300 -0.023 0.000 0.967 390 D CA 1.149 55.141 54.000 -0.013 0.000 0.840 390 D CB 0.241 41.037 40.800 -0.007 0.000 0.972 390 D HN 0.402 nan 8.370 nan 0.000 0.482 391 L N 0.731 121.935 121.223 -0.033 0.000 2.386 391 L HA 0.393 4.733 4.340 0.000 0.000 0.271 391 L C -1.373 175.439 176.870 -0.098 0.000 0.993 391 L CA -0.686 54.123 54.840 -0.053 0.000 0.819 391 L CB 2.452 44.491 42.059 -0.033 0.000 1.294 391 L HN -0.345 nan 8.230 nan 0.000 0.414 392 V N 5.879 125.694 119.914 -0.165 0.000 2.482 392 V HA 0.542 4.662 4.120 0.000 0.000 0.295 392 V C -0.342 175.454 176.094 -0.497 0.000 1.026 392 V CA -0.350 61.756 62.300 -0.323 0.000 0.856 392 V CB 1.563 33.178 31.823 -0.346 0.000 1.001 392 V HN 0.818 nan 8.190 nan 0.000 0.424 393 M N 5.213 124.505 119.600 -0.514 0.000 2.253 393 M HA 0.629 5.109 4.480 0.000 0.000 0.314 393 M C -1.204 174.775 176.300 -0.536 0.000 1.019 393 M CA -0.093 54.929 55.300 -0.464 0.000 0.932 393 M CB 2.049 34.514 32.600 -0.226 0.000 1.606 393 M HN 0.491 nan 8.290 nan 0.000 0.430 394 F N 3.054 122.938 119.950 -0.110 0.000 2.440 394 F HA 0.680 5.207 4.527 0.000 0.000 0.328 394 F C -0.007 175.690 175.800 -0.170 0.000 1.070 394 F CA -0.896 57.033 58.000 -0.118 0.000 1.011 394 F CB 1.192 40.144 39.000 -0.080 0.000 1.226 394 F HN 0.333 nan 8.300 nan 0.000 0.491 395 I N 1.934 122.534 120.570 0.051 0.000 2.447 395 I HA 0.263 4.433 4.170 0.000 0.000 0.287 395 I C -1.546 174.585 176.117 0.022 0.000 1.023 395 I CA -0.823 60.436 61.300 -0.069 0.000 1.083 395 I CB 1.759 39.639 38.000 -0.200 0.000 1.245 395 I HN 0.519 nan 8.210 nan 0.000 0.434 396 Y N 6.729 126.973 120.300 -0.092 0.000 2.391 396 Y HA 0.632 5.182 4.550 0.000 0.000 0.341 396 Y C -0.967 174.893 175.900 -0.067 0.000 0.965 396 Y CA -0.734 57.322 58.100 -0.074 0.000 1.067 396 Y CB 1.523 39.958 38.460 -0.042 0.000 1.199 396 Y HN 0.472 nan 8.280 nan 0.000 0.450 397 R N 4.030 124.075 120.500 -0.759 0.000 2.621 397 R HA 0.170 4.510 4.340 0.000 0.000 0.292 397 R C -0.418 175.411 176.300 -0.785 0.000 0.969 397 R CA -0.759 54.986 56.100 -0.591 0.000 0.887 397 R CB 1.842 31.907 30.300 -0.392 0.000 1.180 397 R HN 0.816 nan 8.270 nan 0.000 0.450 398 D N 1.528 121.676 120.400 -0.420 0.000 2.224 398 D HA -0.099 4.541 4.640 0.000 0.000 0.205 398 D C 0.938 177.188 176.300 -0.083 0.000 0.965 398 D CA 1.316 55.213 54.000 -0.173 0.000 0.852 398 D CB 0.538 41.353 40.800 0.024 0.000 0.947 398 D HN 0.557 nan 8.370 nan 0.000 0.494 399 E N -1.063 119.071 120.200 -0.111 0.000 2.265 399 E HA -0.199 4.151 4.350 0.000 0.000 0.196 399 E C 1.382 177.898 176.600 -0.140 0.000 0.996 399 E CA 0.395 56.739 56.400 -0.092 0.000 0.832 399 E CB -0.119 29.534 29.700 -0.079 0.000 0.756 399 E HN 0.498 nan 8.360 nan 0.000 0.491 400 Y N -0.691 119.393 120.300 -0.361 0.000 2.242 400 Y HA -0.239 4.311 4.550 0.000 0.000 0.291 400 Y C 1.015 176.538 175.900 -0.629 0.000 1.137 400 Y CA 1.470 59.231 58.100 -0.566 0.000 1.181 400 Y CB 0.245 38.204 38.460 -0.836 0.000 0.989 400 Y HN 0.050 nan 8.280 nan 0.000 0.527 401 Y N -1.537 118.832 120.300 0.115 0.000 2.481 401 Y HA 0.300 4.850 4.550 0.000 0.000 0.247 401 Y C -0.233 175.691 175.900 0.040 0.000 1.151 401 Y CA -0.434 57.727 58.100 0.102 0.000 1.238 401 Y CB 0.466 39.018 38.460 0.154 0.000 1.179 401 Y HN -0.099 nan 8.280 nan 0.000 0.524 402 N N 0.253 119.011 118.700 0.097 0.000 2.732 402 N HA 0.158 4.898 4.740 0.000 0.000 0.247 402 N C -2.532 172.963 175.510 -0.026 0.000 1.305 402 N CA -1.000 52.087 53.050 0.061 0.000 0.762 402 N CB 1.692 40.245 38.487 0.110 0.000 1.361 402 N HN -0.083 nan 8.380 nan 0.000 0.545 403 P HA -0.187 nan 4.420 nan 0.000 0.216 403 P C 1.080 178.247 177.300 -0.222 0.000 1.154 403 P CA 1.570 64.531 63.100 -0.231 0.000 0.865 403 P CB 0.349 31.826 31.700 -0.373 0.000 0.789 404 H N -1.175 117.895 119.070 0.000 0.000 2.268 404 H HA 0.142 4.698 4.556 0.000 0.000 0.313 404 H C 0.714 176.047 175.328 0.010 0.000 1.056 404 H CA 0.730 56.781 56.048 0.004 0.000 1.369 404 H CB -1.123 28.644 29.762 0.008 0.000 1.422 404 H HN -0.033 nan 8.280 nan 0.000 0.520 405 S N 2.706 118.506 115.700 0.168 0.000 4.448 405 S HA -0.129 4.341 4.470 0.000 0.000 0.534 405 S C 1.159 175.802 174.600 0.071 0.000 1.024 405 S CA 0.442 58.704 58.200 0.104 0.000 0.994 405 S CB -0.030 63.229 63.200 0.098 0.000 0.900 405 S HN 0.464 nan 8.310 nan 0.000 0.467 406 E N 2.932 123.169 120.200 0.062 0.000 2.352 406 E HA -0.233 4.117 4.350 0.000 0.000 0.203 406 E C 0.586 177.208 176.600 0.036 0.000 1.024 406 E CA 1.265 57.692 56.400 0.046 0.000 0.842 406 E CB -0.114 29.609 29.700 0.039 0.000 0.753 406 E HN 0.460 nan 8.360 nan 0.000 0.508 407 K N 0.831 121.254 120.400 0.039 0.000 3.225 407 K HA 0.294 4.614 4.320 0.000 0.000 0.282 407 K C 1.023 177.629 176.600 0.010 0.000 1.060 407 K CA 0.504 56.809 56.287 0.030 0.000 1.186 407 K CB -0.160 32.367 32.500 0.045 0.000 1.214 407 K HN 0.275 nan 8.250 nan 0.000 0.428 408 A N 0.890 123.715 122.820 0.009 0.000 1.862 408 A HA -0.165 4.155 4.320 0.000 0.000 0.214 408 A C 2.207 179.784 177.584 -0.011 0.000 1.228 408 A CA 2.168 54.205 52.037 -0.001 0.000 0.665 408 A CB -1.206 17.797 19.000 0.005 0.000 0.845 408 A HN 0.465 nan 8.150 nan 0.000 0.459 409 G N -0.851 107.931 108.800 -0.031 0.000 2.501 409 G HA2 0.083 4.043 3.960 0.000 0.000 0.220 409 G HA3 0.083 4.043 3.960 0.000 0.000 0.220 409 G C 0.651 175.504 174.900 -0.079 0.000 1.114 409 G CA 0.658 45.700 45.100 -0.097 0.000 0.757 409 G HN 0.490 nan 8.290 nan 0.000 0.559 410 I N 1.111 121.664 120.570 -0.029 0.000 2.395 410 I HA 0.498 4.668 4.170 0.000 0.000 0.289 410 I C 0.297 176.407 176.117 -0.012 0.000 1.023 410 I CA -0.634 60.661 61.300 -0.009 0.000 1.350 410 I CB 1.706 39.712 38.000 0.011 0.000 1.409 410 I HN 0.046 nan 8.210 nan 0.000 0.507 411 A N 6.078 128.900 122.820 0.003 0.000 2.365 411 A HA 0.656 4.976 4.320 0.000 0.000 0.318 411 A C -0.652 176.947 177.584 0.025 0.000 1.091 411 A CA -0.612 51.415 52.037 -0.016 0.000 0.763 411 A CB 1.126 20.124 19.000 -0.003 0.000 1.248 411 A HN 0.784 nan 8.150 nan 0.000 0.442 412 E N 1.968 122.188 120.200 0.034 0.000 2.187 412 E HA 0.632 4.982 4.350 0.000 0.000 0.268 412 E C -1.469 175.130 176.600 -0.001 0.000 0.896 412 E CA -0.575 55.853 56.400 0.045 0.000 0.766 412 E CB 1.439 31.201 29.700 0.105 0.000 1.142 412 E HN 0.478 nan 8.360 nan 0.000 0.408 413 I N 4.513 125.048 120.570 -0.058 0.000 2.330 413 I HA 0.273 4.443 4.170 0.000 0.000 0.286 413 I C -0.378 175.708 176.117 -0.051 0.000 1.025 413 I CA -0.816 60.408 61.300 -0.128 0.000 1.197 413 I CB 0.778 38.628 38.000 -0.251 0.000 1.358 413 I HN 0.506 nan 8.210 nan 0.000 0.467 414 I N 7.004 127.576 120.570 0.004 0.000 2.291 414 I HA 0.156 4.326 4.170 0.000 0.000 0.292 414 I C 0.050 176.169 176.117 0.005 0.000 1.064 414 I CA -0.642 60.693 61.300 0.058 0.000 1.269 414 I CB 0.930 39.031 38.000 0.169 0.000 1.418 414 I HN 0.234 nan 8.210 nan 0.000 0.485 415 V N 6.745 126.641 119.914 -0.030 0.000 2.397 415 V HA 0.088 4.208 4.120 0.000 0.000 0.262 415 V C 1.417 177.485 176.094 -0.042 0.000 1.047 415 V CA 0.282 62.535 62.300 -0.078 0.000 1.003 415 V CB 0.546 32.343 31.823 -0.044 0.000 1.037 415 V HN 1.027 nan 8.190 nan 0.000 0.480 416 G N 4.473 113.206 108.800 -0.111 0.000 2.453 416 G HA2 0.006 3.966 3.960 0.000 0.000 0.215 416 G HA3 0.006 3.966 3.960 0.000 0.000 0.215 416 G C 0.593 175.488 174.900 -0.008 0.000 1.147 416 G CA 0.191 45.309 45.100 0.030 0.000 0.802 416 G HN 0.576 nan 8.290 nan 0.000 0.535 417 K N -0.167 120.188 120.400 -0.074 0.000 2.550 417 K HA 0.429 4.749 4.320 0.000 0.000 0.252 417 K C -1.412 175.158 176.600 -0.051 0.000 0.943 417 K CA -0.713 55.547 56.287 -0.044 0.000 0.806 417 K CB 1.447 33.926 32.500 -0.035 0.000 1.289 417 K HN 0.361 nan 8.250 nan 0.000 0.435 418 Q N 2.357 122.141 119.800 -0.027 0.000 2.685 418 Q HA 0.444 4.784 4.340 0.000 0.000 0.301 418 Q C -0.649 175.346 176.000 -0.009 0.000 0.924 418 Q CA -1.101 54.690 55.803 -0.020 0.000 0.755 418 Q CB 1.573 30.301 28.738 -0.016 0.000 1.470 418 Q HN 0.539 nan 8.270 nan 0.000 0.434 419 R N -0.635 119.862 120.500 -0.005 0.000 2.476 419 R HA 0.252 4.592 4.340 0.000 0.000 0.276 419 R C 0.066 176.368 176.300 0.003 0.000 0.941 419 R CA 0.095 56.195 56.100 -0.000 0.000 1.088 419 R CB 0.537 30.836 30.300 -0.000 0.000 1.216 419 R HN 0.581 nan 8.270 nan 0.000 0.533 420 N N -0.035 118.668 118.700 0.004 0.000 2.280 420 N HA 0.114 4.854 4.740 0.000 0.000 0.192 420 N C 0.424 175.940 175.510 0.010 0.000 1.109 420 N CA 0.444 53.499 53.050 0.008 0.000 0.855 420 N CB 1.568 40.061 38.487 0.011 0.000 0.974 420 N HN 0.211 nan 8.380 nan 0.000 0.482 421 G N -0.039 108.766 108.800 0.008 0.000 2.428 421 G HA2 0.375 4.335 3.960 0.000 0.000 0.305 421 G HA3 0.375 4.335 3.960 0.000 0.000 0.305 421 G C -3.094 171.810 174.900 0.007 0.000 1.260 421 G CA -0.617 44.489 45.100 0.009 0.000 0.853 421 G HN -0.122 nan 8.290 nan 0.000 0.480 422 P HA 0.478 nan 4.420 nan 0.000 0.281 422 P C 0.145 177.448 177.300 0.006 0.000 1.281 422 P CA -0.229 62.875 63.100 0.007 0.000 0.811 422 P CB 0.545 32.250 31.700 0.008 0.000 1.154 423 T N -0.748 113.810 114.554 0.006 0.000 2.748 423 T HA 0.511 4.861 4.350 0.000 0.000 0.304 423 T C 0.432 175.137 174.700 0.009 0.000 1.041 423 T CA 0.837 62.941 62.100 0.007 0.000 1.033 423 T CB -0.225 68.651 68.868 0.013 0.000 0.995 423 T HN 0.839 nan 8.240 nan 0.000 0.536 424 G N 0.043 108.849 108.800 0.010 0.000 2.368 424 G HA2 0.389 4.349 3.960 0.000 0.000 0.303 424 G HA3 0.389 4.349 3.960 0.000 0.000 0.303 424 G C -0.999 173.907 174.900 0.011 0.000 1.590 424 G CA -0.970 44.136 45.100 0.011 0.000 0.938 424 G HN 0.668 nan 8.290 nan 0.000 0.675 425 T N 0.936 115.497 114.554 0.011 0.000 2.744 425 T HA 0.586 4.936 4.350 0.000 0.000 0.291 425 T C 0.150 174.857 174.700 0.012 0.000 0.957 425 T CA -0.348 61.759 62.100 0.012 0.000 1.002 425 T CB 1.550 70.426 68.868 0.013 0.000 0.919 425 T HN 0.583 nan 8.240 nan 0.000 0.468 426 V N 3.973 123.890 119.914 0.005 0.000 2.581 426 V HA 0.423 4.543 4.120 0.000 0.000 0.303 426 V C 0.001 176.096 176.094 0.002 0.000 1.041 426 V CA -0.860 61.445 62.300 0.010 0.000 0.907 426 V CB 1.946 33.778 31.823 0.015 0.000 0.994 426 V HN 0.845 nan 8.190 nan 0.000 0.442 427 E N 4.122 124.331 120.200 0.016 0.000 2.195 427 E HA 0.756 5.106 4.350 0.000 0.000 0.271 427 E C -1.267 175.347 176.600 0.024 0.000 0.923 427 E CA -0.560 55.852 56.400 0.020 0.000 0.790 427 E CB 2.372 32.092 29.700 0.033 0.000 1.155 427 E HN 0.445 nan 8.360 nan 0.000 0.402 428 L N 1.095 122.337 121.223 0.031 0.000 2.303 428 L HA 0.399 4.739 4.340 0.000 0.000 0.256 428 L C -0.357 176.558 176.870 0.075 0.000 1.034 428 L CA -1.131 53.744 54.840 0.058 0.000 0.832 428 L CB 1.901 43.972 42.059 0.021 0.000 1.403 428 L HN 0.360 nan 8.230 nan 0.000 0.419 429 Q N 0.969 120.818 119.800 0.082 0.000 2.261 429 Q HA 0.402 4.742 4.340 0.000 0.000 0.252 429 Q C -1.586 174.364 176.000 -0.083 0.000 0.915 429 Q CA -0.191 55.595 55.803 -0.029 0.000 0.915 429 Q CB 1.951 30.671 28.738 -0.030 0.000 1.204 429 Q HN 0.322 nan 8.270 nan 0.000 0.421 430 F N 3.246 122.940 119.950 -0.427 0.000 2.499 430 F HA 0.263 4.790 4.527 0.000 0.000 0.333 430 F C -0.958 174.541 175.800 -0.501 0.000 1.138 430 F CA -0.662 57.018 58.000 -0.532 0.000 0.945 430 F CB 0.952 39.608 39.000 -0.574 0.000 1.181 430 F HN 0.517 nan 8.300 nan 0.000 0.435 431 H N 6.272 124.920 119.070 -0.704 0.000 2.641 431 H HA 0.377 4.933 4.556 0.000 0.000 0.295 431 H C 0.821 175.666 175.328 -0.804 0.000 1.070 431 H CA 0.291 56.031 56.048 -0.514 0.000 1.257 431 H CB 1.664 31.270 29.762 -0.261 0.000 1.393 431 H HN 0.864 nan 8.280 nan 0.000 0.464 432 A N 3.408 125.913 122.820 -0.526 0.000 2.024 432 A HA -0.194 4.126 4.320 0.000 0.000 0.220 432 A C 2.285 179.708 177.584 -0.268 0.000 1.164 432 A CA 1.578 53.400 52.037 -0.358 0.000 0.643 432 A CB -0.221 18.753 19.000 -0.044 0.000 0.806 432 A HN 0.632 nan 8.150 nan 0.000 0.451 433 S N -0.219 115.328 115.700 -0.255 0.000 2.414 433 S HA -0.202 4.268 4.470 0.000 0.000 0.225 433 S C 1.446 175.730 174.600 -0.527 0.000 1.041 433 S CA 1.578 59.547 58.200 -0.385 0.000 1.114 433 S CB -0.594 62.380 63.200 -0.377 0.000 1.064 433 S HN 0.815 nan 8.310 nan 0.000 0.420 434 H N 0.106 119.106 119.070 -0.116 0.000 2.505 434 H HA 0.394 4.950 4.556 0.000 0.000 0.286 434 H C -0.210 175.062 175.328 -0.092 0.000 1.072 434 H CA -0.012 55.987 56.048 -0.082 0.000 1.141 434 H CB -0.078 29.644 29.762 -0.067 0.000 1.550 434 H HN 0.096 nan 8.280 nan 0.000 0.547 435 V N 1.982 121.809 119.914 -0.145 0.000 5.842 435 V HA -0.331 3.789 4.120 0.000 0.000 0.251 435 V C 0.183 176.229 176.094 -0.080 0.000 0.667 435 V CA 0.901 63.081 62.300 -0.199 0.000 0.844 435 V CB -1.789 30.076 31.823 0.071 0.000 0.924 435 V HN 0.532 nan 8.190 nan 0.000 0.443 436 R N 1.956 122.302 120.500 -0.257 0.000 2.854 436 R HA 0.844 5.184 4.340 0.000 0.000 0.271 436 R C -1.149 175.140 176.300 -0.018 0.000 0.994 436 R CA -0.830 55.287 56.100 0.028 0.000 0.945 436 R CB 1.943 32.293 30.300 0.082 0.000 1.194 436 R HN 0.266 nan 8.270 nan 0.000 0.476 437 F N 0.628 120.765 119.950 0.311 0.000 2.493 437 F HA 0.411 4.939 4.527 0.000 0.000 0.329 437 F C -0.176 175.899 175.800 0.458 0.000 1.126 437 F CA -0.607 57.631 58.000 0.397 0.000 0.937 437 F CB 1.984 41.282 39.000 0.497 0.000 1.146 437 F HN 0.402 nan 8.300 nan 0.000 0.442 438 N N 0.883 119.884 118.700 0.501 0.000 2.380 438 N HA 0.388 5.128 4.740 0.000 0.000 0.290 438 N C -1.675 174.077 175.510 0.403 0.000 1.236 438 N CA -0.994 52.328 53.050 0.452 0.000 0.780 438 N CB 1.140 39.806 38.487 0.297 0.000 1.438 438 N HN 0.388 nan 8.380 nan 0.000 0.491 439 D N 0.350 120.978 120.400 0.380 0.000 2.382 439 D HA 0.157 4.797 4.640 0.000 0.000 0.240 439 D C -0.196 176.213 176.300 0.182 0.000 1.146 439 D CA -0.071 54.104 54.000 0.292 0.000 0.897 439 D CB 0.568 41.516 40.800 0.246 0.000 1.197 439 D HN 0.194 nan 8.370 nan 0.000 0.432 440 L N 0.000 121.306 121.223 0.138 0.000 2.949 440 L HA 0.000 4.340 4.340 0.000 0.000 0.249 440 L CA 0.000 54.899 54.840 0.098 0.000 0.813 440 L CB 0.000 42.104 42.059 0.075 0.000 0.961 440 L HN 0.000 nan 8.230 nan 0.000 0.502