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 3f5m_1_D DATA FIRST_RESID 8 DATA SEQUENCE RVTSKLVKAH RAMLNSVTQE DLKVDRLPGA DYPNPSKKXX XXXXXXXKTD DATA SEQUENCE YIMYNPRPRD XXXXENPVSV SPLLCELAAA RSRIHFNPTE TTIGIVTCGG DATA SEQUENCE ICPGLNDVIR SITLTGINVY NVKRVIGFRF GYWGLSKKGS QTAIELHRGR DATA SEQUENCE VTNIHHYGGT ILGSSRGPQD PKEMVDTLER LGVNILFTVG GDGTQRGALV DATA SEQUENCE ISQEAKRRGV DISVFGVPKT IDNDLSFSHR TFGFQTAVEK AVQAIRAAYA DATA SEQUENCE EAVSANYGVG VVKLMGRDSG FIAAQAAVAS AQANICLVPE NPISEQEVMS DATA SEQUENCE LLERRFCHSR SCVIIVAEGF GQDWGRXXXX YDASGNKKLI DIGVILTEKV DATA SEQUENCE KAFLKANKSR YPDSTVKYID PSYMIRACPP SANDALFCAT LATLAVHEAM DATA SEQUENCE AGATGCIIAM RHNNYILVPI KVATSVRRVL DLRGQLWRQV REITVDLGSD DATA SEQUENCE VRLARKLEIR RELEAINRNR DRLHE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.308 176.300 0.014 0.000 0.893 8 R CA 0.000 56.107 56.100 0.012 0.000 0.921 8 R CB 0.000 30.310 30.300 0.017 0.000 0.687 9 V N -0.920 118.999 119.914 0.009 0.000 3.799 9 V HA 0.398 2.708 4.120 -3.017 0.000 0.273 9 V C 1.563 177.678 176.094 0.034 0.000 0.973 9 V CA 0.745 63.046 62.300 0.002 0.000 0.979 9 V CB 0.581 32.389 31.823 -0.024 0.000 1.242 9 V HN 0.586 nan 8.190 nan 0.000 0.426 10 T N -2.907 111.673 114.554 0.043 0.000 3.044 10 T HA 0.293 2.833 4.350 -3.017 0.000 0.260 10 T C 0.684 175.499 174.700 0.192 0.000 1.019 10 T CA 0.460 62.629 62.100 0.115 0.000 0.921 10 T CB -0.333 68.616 68.868 0.135 0.000 1.053 10 T HN 1.295 nan 8.240 nan 0.000 0.533 11 S N 0.146 115.930 115.700 0.140 0.000 2.739 11 S HA 0.773 3.433 4.470 -3.017 0.000 0.306 11 S C -0.825 173.843 174.600 0.112 0.000 1.115 11 S CA -0.746 57.582 58.200 0.213 0.000 0.985 11 S CB 2.365 65.647 63.200 0.138 0.000 1.133 11 S HN 0.534 nan 8.310 nan 0.000 0.541 12 K N 0.427 120.896 120.400 0.114 0.000 2.562 12 K HA 0.469 2.979 4.320 -3.017 0.000 0.267 12 K C -1.795 174.837 176.600 0.053 0.000 0.938 12 K CA -0.814 55.506 56.287 0.054 0.000 0.840 12 K CB 1.109 33.622 32.500 0.022 0.000 1.390 12 K HN 0.530 nan 8.250 nan 0.000 0.428 13 L N 2.531 123.773 121.223 0.031 0.000 2.416 13 L HA 0.668 3.198 4.340 -3.017 0.000 0.262 13 L C -0.284 176.596 176.870 0.017 0.000 1.093 13 L CA -0.822 54.034 54.840 0.026 0.000 0.801 13 L CB 1.433 43.499 42.059 0.011 0.000 1.191 13 L HN 0.560 nan 8.230 nan 0.000 0.459 14 V N 0.636 120.561 119.914 0.018 0.000 3.167 14 V HA 0.244 2.554 4.120 -3.017 0.000 0.293 14 V C -0.343 175.752 176.094 0.001 0.000 1.379 14 V CA -1.209 61.089 62.300 -0.002 0.000 1.019 14 V CB 2.841 34.654 31.823 -0.018 0.000 1.115 14 V HN 0.735 nan 8.190 nan 0.000 0.442 15 K N 2.289 122.675 120.400 -0.022 0.000 2.350 15 K HA 0.628 3.138 4.320 -3.017 0.000 0.279 15 K C 0.155 176.737 176.600 -0.030 0.000 1.027 15 K CA 0.203 56.480 56.287 -0.017 0.000 0.969 15 K CB 1.101 33.584 32.500 -0.030 0.000 0.954 15 K HN 0.946 nan 8.250 nan 0.000 0.474 16 A N 3.309 126.145 122.820 0.027 0.000 2.407 16 A HA 0.112 2.622 4.320 -3.017 0.000 0.248 16 A C 0.147 177.774 177.584 0.072 0.000 1.082 16 A CA -0.204 51.888 52.037 0.092 0.000 0.785 16 A CB 0.070 19.140 19.000 0.116 0.000 1.020 16 A HN 0.983 nan 8.150 nan 0.000 0.489 17 H N 0.363 119.446 119.070 0.021 0.000 2.492 17 H HA -0.053 2.692 4.556 -3.017 0.000 0.296 17 H C 1.111 176.453 175.328 0.025 0.000 1.095 17 H CA 1.975 58.035 56.048 0.021 0.000 1.281 17 H CB 0.069 29.844 29.762 0.021 0.000 1.374 17 H HN 0.548 nan 8.280 nan 0.000 0.545 18 R N 0.285 120.876 120.500 0.151 0.000 2.711 18 R HA 0.439 2.969 4.340 -3.017 0.000 0.350 18 R C -0.803 175.536 176.300 0.064 0.000 1.146 18 R CA -0.059 56.097 56.100 0.093 0.000 1.190 18 R CB 0.170 30.522 30.300 0.087 0.000 1.312 18 R HN 0.232 nan 8.270 nan 0.000 0.635 19 A N 0.773 123.625 122.820 0.053 0.000 2.531 19 A HA 0.076 2.586 4.320 -3.017 0.000 0.236 19 A C 0.963 178.563 177.584 0.027 0.000 1.062 19 A CA 0.311 52.372 52.037 0.040 0.000 0.760 19 A CB 0.217 19.235 19.000 0.030 0.000 0.995 19 A HN 0.593 nan 8.150 nan 0.000 0.501 20 M N 1.190 120.803 119.600 0.020 0.000 2.466 20 M HA 0.182 2.852 4.480 -3.017 0.000 0.265 20 M C -0.154 176.148 176.300 0.004 0.000 1.122 20 M CA 0.930 56.235 55.300 0.009 0.000 1.157 20 M CB -0.086 32.516 32.600 0.003 0.000 1.352 20 M HN 0.568 nan 8.290 nan 0.000 0.464 21 L N -0.285 120.941 121.223 0.005 0.000 2.334 21 L HA 0.334 2.864 4.340 -3.017 0.000 0.276 21 L C 0.378 177.252 176.870 0.008 0.000 1.014 21 L CA -0.314 54.527 54.840 0.002 0.000 0.815 21 L CB 1.568 43.625 42.059 -0.003 0.000 1.268 21 L HN 0.137 nan 8.230 nan 0.000 0.428 22 N N -0.397 118.306 118.700 0.005 0.000 2.388 22 N HA 0.022 2.952 4.740 -3.017 0.000 0.176 22 N C 0.054 175.568 175.510 0.005 0.000 1.062 22 N CA 0.009 53.062 53.050 0.005 0.000 0.895 22 N CB 0.737 39.225 38.487 0.002 0.000 1.018 22 N HN 0.501 nan 8.380 nan 0.000 0.456 23 S N -0.030 115.672 115.700 0.003 0.000 2.595 23 S HA 0.558 3.218 4.470 -3.017 0.000 0.281 23 S C -1.325 173.275 174.600 0.000 0.000 1.117 23 S CA -0.582 57.620 58.200 0.002 0.000 0.873 23 S CB 1.645 64.844 63.200 -0.001 0.000 1.108 23 S HN -0.204 nan 8.310 nan 0.000 0.477 24 V N 3.313 123.227 119.914 -0.001 0.000 2.487 24 V HA 0.673 2.983 4.120 -3.017 0.000 0.298 24 V C 0.341 176.425 176.094 -0.017 0.000 1.028 24 V CA -0.476 61.819 62.300 -0.007 0.000 0.860 24 V CB 1.409 33.242 31.823 0.017 0.000 0.991 24 V HN 1.045 nan 8.190 nan 0.000 0.427 25 T N 1.115 115.656 114.554 -0.022 0.000 2.910 25 T HA 0.395 2.935 4.350 -3.017 0.000 0.287 25 T C 0.599 175.284 174.700 -0.024 0.000 1.050 25 T CA -0.473 61.614 62.100 -0.020 0.000 1.011 25 T CB 1.901 70.759 68.868 -0.016 0.000 1.195 25 T HN 0.333 nan 8.240 nan 0.000 0.540 26 Q N 0.107 119.896 119.800 -0.018 0.000 2.181 26 Q HA -0.093 2.437 4.340 -3.017 0.000 0.205 26 Q C 1.944 177.936 176.000 -0.014 0.000 0.980 26 Q CA 1.956 57.750 55.803 -0.015 0.000 0.862 26 Q CB -0.489 28.235 28.738 -0.023 0.000 0.905 26 Q HN 0.829 nan 8.270 nan 0.000 0.429 27 E N 0.064 120.254 120.200 -0.017 0.000 2.107 27 E HA -0.129 2.411 4.350 -3.017 0.000 0.191 27 E C 1.315 177.902 176.600 -0.023 0.000 0.982 27 E CA 1.296 57.687 56.400 -0.014 0.000 0.809 27 E CB -0.147 29.544 29.700 -0.014 0.000 0.756 27 E HN 0.403 nan 8.360 nan 0.000 0.459 28 D N -0.236 120.144 120.400 -0.033 0.000 2.190 28 D HA -0.168 2.662 4.640 -3.017 0.000 0.200 28 D C 1.401 177.655 176.300 -0.076 0.000 0.992 28 D CA 0.759 54.727 54.000 -0.052 0.000 0.854 28 D CB 0.038 40.806 40.800 -0.054 0.000 0.936 28 D HN 0.186 nan 8.370 nan 0.000 0.462 29 L N 0.575 121.758 121.223 -0.066 0.000 2.492 29 L HA 0.052 2.582 4.340 -3.017 0.000 0.223 29 L C 0.675 177.530 176.870 -0.025 0.000 1.132 29 L CA 0.694 55.486 54.840 -0.081 0.000 0.850 29 L CB -0.265 41.766 42.059 -0.047 0.000 0.966 29 L HN -0.186 nan 8.230 nan 0.000 0.454 30 K N -0.433 119.967 120.400 0.000 0.000 2.298 30 K HA 0.259 2.769 4.320 -3.017 0.000 0.280 30 K C -0.430 176.168 176.600 -0.003 0.000 1.032 30 K CA -0.349 55.958 56.287 0.034 0.000 0.958 30 K CB 1.484 34.008 32.500 0.041 0.000 0.978 30 K HN -0.220 nan 8.250 nan 0.000 0.472 31 V N 3.210 123.127 119.914 0.005 0.000 2.465 31 V HA -0.011 2.299 4.120 -3.017 0.000 0.279 31 V C 0.146 176.229 176.094 -0.017 0.000 1.045 31 V CA -0.522 61.764 62.300 -0.023 0.000 0.938 31 V CB 1.267 33.078 31.823 -0.020 0.000 0.986 31 V HN 0.726 nan 8.190 nan 0.000 0.467 32 D N 4.626 125.005 120.400 -0.034 0.000 2.414 32 D HA 0.206 3.036 4.640 -3.017 0.000 0.242 32 D C -0.080 176.200 176.300 -0.034 0.000 1.129 32 D CA 0.149 54.129 54.000 -0.034 0.000 0.885 32 D CB 0.505 41.279 40.800 -0.043 0.000 1.198 32 D HN 0.364 nan 8.370 nan 0.000 0.437 33 R N 3.113 123.587 120.500 -0.045 0.000 2.575 33 R HA 0.277 2.807 4.340 -3.017 0.000 0.293 33 R C -0.797 175.423 176.300 -0.134 0.000 0.983 33 R CA -1.138 54.919 56.100 -0.073 0.000 0.887 33 R CB 1.249 31.523 30.300 -0.043 0.000 1.184 33 R HN 0.381 nan 8.270 nan 0.000 0.445 34 L N 4.828 125.888 121.223 -0.271 0.000 2.559 34 L HA 0.046 2.576 4.340 -3.017 0.000 0.282 34 L C -1.639 175.074 176.870 -0.261 0.000 1.232 34 L CA -1.130 53.459 54.840 -0.418 0.000 0.885 34 L CB -0.400 41.010 42.059 -1.082 0.000 1.131 34 L HN 0.366 nan 8.230 nan 0.000 0.498 35 P HA 0.173 nan 4.420 nan 0.000 0.262 35 P C 0.193 177.574 177.300 0.135 0.000 1.199 35 P CA 0.389 63.505 63.100 0.027 0.000 0.763 35 P CB 0.433 32.152 31.700 0.032 0.000 0.790 36 G N 2.196 111.052 108.800 0.094 0.000 2.722 36 G HA2 0.254 2.404 3.960 -3.017 0.000 0.686 36 G HA3 0.254 2.404 3.960 -3.017 0.000 0.686 36 G C -0.769 174.200 174.900 0.115 0.000 1.282 36 G CA -0.345 44.801 45.100 0.077 0.000 0.817 36 G HN 0.742 nan 8.290 nan 0.000 0.605 37 A N 1.079 123.917 122.820 0.031 0.000 2.876 37 A HA 0.681 3.191 4.320 -3.017 0.000 0.309 37 A C 0.345 177.914 177.584 -0.024 0.000 1.168 37 A CA 0.439 52.501 52.037 0.042 0.000 0.762 37 A CB 0.742 19.782 19.000 0.068 0.000 1.262 37 A HN 0.542 nan 8.150 nan 0.000 0.435 38 D N 0.072 120.396 120.400 -0.127 0.000 2.388 38 D HA 0.114 2.944 4.640 -3.017 0.000 0.208 38 D C -0.193 175.898 176.300 -0.348 0.000 1.035 38 D CA 1.072 54.895 54.000 -0.295 0.000 0.875 38 D CB 0.234 40.749 40.800 -0.475 0.000 0.984 38 D HN 0.637 nan 8.370 nan 0.000 0.508 39 Y N 0.980 121.273 120.300 -0.012 0.000 2.335 39 Y HA 0.364 3.104 4.550 -3.017 0.000 0.323 39 Y C -1.942 173.980 175.900 0.038 0.000 1.224 39 Y CA -2.411 55.699 58.100 0.016 0.000 1.241 39 Y CB 0.488 38.967 38.460 0.032 0.000 1.235 39 Y HN -0.211 nan 8.280 nan 0.000 0.492 40 P HA 0.078 nan 4.420 nan 0.000 0.279 40 P C -0.896 176.491 177.300 0.144 0.000 1.252 40 P CA -0.657 62.516 63.100 0.122 0.000 0.811 40 P CB 0.714 32.461 31.700 0.079 0.000 1.035 41 N N 2.254 121.020 118.700 0.109 0.000 2.420 41 N HA 0.171 3.100 4.740 -3.017 0.000 0.249 41 N C -1.764 173.747 175.510 0.001 0.000 1.033 41 N CA -2.329 50.785 53.050 0.105 0.000 0.944 41 N CB 0.236 38.788 38.487 0.108 0.000 1.113 41 N HN 0.117 nan 8.380 nan 0.000 0.502 42 P HA -0.146 nan 4.420 nan 0.000 0.217 42 P C 1.407 178.623 177.300 -0.139 0.000 1.148 42 P CA 0.954 64.002 63.100 -0.087 0.000 0.828 42 P CB 0.324 31.958 31.700 -0.111 0.000 0.783 43 S N -0.449 115.105 115.700 -0.243 0.000 2.359 43 S HA -0.139 2.521 4.470 -3.017 0.000 0.224 43 S C 1.274 175.808 174.600 -0.110 0.000 1.035 43 S CA 1.205 59.282 58.200 -0.203 0.000 1.018 43 S CB -0.716 62.333 63.200 -0.252 0.000 0.876 43 S HN 0.036 nan 8.310 nan 0.000 0.448 44 K N 1.886 122.235 120.400 -0.085 0.000 3.129 44 K HA 0.195 2.705 4.320 -3.017 0.000 0.241 44 K C 0.073 176.653 176.600 -0.033 0.000 1.239 44 K CA -0.163 56.092 56.287 -0.054 0.000 1.239 44 K CB 0.309 32.783 32.500 -0.044 0.000 1.347 44 K HN 0.269 nan 8.250 nan 0.000 0.435 56 T N -0.162 114.397 114.554 0.009 0.000 2.870 56 T HA 0.246 2.786 4.350 -3.017 0.000 0.300 56 T C -0.346 174.287 174.700 -0.112 0.000 0.989 56 T CA -0.377 61.663 62.100 -0.101 0.000 1.139 56 T CB 0.346 69.094 68.868 -0.200 0.000 0.920 56 T HN 0.417 nan 8.240 nan 0.000 0.537 57 D N 2.057 122.356 120.400 -0.168 0.000 2.229 57 D HA 0.418 3.248 4.640 -3.017 0.000 0.249 57 D C -0.428 175.737 176.300 -0.226 0.000 1.027 57 D CA -0.161 53.811 54.000 -0.047 0.000 0.923 57 D CB 1.117 41.924 40.800 0.011 0.000 1.174 57 D HN 0.655 nan 8.370 nan 0.000 0.443 58 Y N -0.450 119.887 120.300 0.061 0.000 2.662 58 Y HA 0.594 3.334 4.550 -3.017 0.000 0.335 58 Y C -0.090 175.857 175.900 0.078 0.000 1.066 58 Y CA -1.095 57.048 58.100 0.072 0.000 1.116 58 Y CB 2.387 40.887 38.460 0.066 0.000 1.308 58 Y HN 0.145 nan 8.280 nan 0.000 0.502 59 I N 1.421 122.158 120.570 0.278 0.000 2.769 59 I HA 0.371 2.731 4.170 -3.017 0.000 0.298 59 I C -1.242 174.998 176.117 0.205 0.000 1.128 59 I CA -1.054 60.364 61.300 0.196 0.000 1.031 59 I CB 1.825 39.924 38.000 0.164 0.000 1.235 59 I HN 0.620 nan 8.210 nan 0.000 0.423 60 M N 5.987 125.674 119.600 0.144 0.000 2.238 60 M HA 0.026 2.696 4.480 -3.017 0.000 0.350 60 M C 0.475 176.889 176.300 0.190 0.000 1.321 60 M CA 0.397 55.783 55.300 0.143 0.000 1.097 60 M CB 0.399 33.041 32.600 0.069 0.000 1.713 60 M HN 0.636 nan 8.290 nan 0.000 0.455 61 Y N 2.880 123.262 120.300 0.137 0.000 2.207 61 Y HA -0.147 2.593 4.550 -3.017 0.000 0.287 61 Y C 0.615 176.606 175.900 0.151 0.000 1.156 61 Y CA 1.483 59.682 58.100 0.164 0.000 1.182 61 Y CB 0.217 38.774 38.460 0.160 0.000 0.979 61 Y HN 0.662 nan 8.280 nan 0.000 0.521 62 N N -0.071 118.619 118.700 -0.016 0.000 2.461 62 N HA 0.245 3.175 4.740 -3.017 0.000 0.284 62 N C -2.836 172.624 175.510 -0.085 0.000 1.049 62 N CA -2.360 50.616 53.050 -0.124 0.000 0.889 62 N CB 1.883 40.337 38.487 -0.055 0.000 1.365 62 N HN -0.102 nan 8.380 nan 0.000 0.499 63 P HA 0.248 nan 4.420 nan 0.000 0.257 63 P C -0.336 176.907 177.300 -0.095 0.000 1.325 63 P CA 0.089 63.098 63.100 -0.150 0.000 0.850 63 P CB 0.215 31.752 31.700 -0.271 0.000 1.324 64 R N 1.544 122.002 120.500 -0.069 0.000 2.390 64 R HA 0.370 2.900 4.340 -3.017 0.000 0.291 64 R C -2.297 173.991 176.300 -0.019 0.000 1.070 64 R CA -1.732 54.344 56.100 -0.039 0.000 1.014 64 R CB -0.010 30.273 30.300 -0.029 0.000 1.007 64 R HN 0.083 nan 8.270 nan 0.000 0.466 65 P HA 0.229 nan 4.420 nan 0.000 0.284 65 P C -0.885 176.416 177.300 0.001 0.000 1.258 65 P CA -0.677 62.420 63.100 -0.005 0.000 0.824 65 P CB 1.051 32.747 31.700 -0.007 0.000 1.038 66 R N 0.665 121.167 120.500 0.005 0.000 2.524 66 R HA 0.390 2.920 4.340 -3.017 0.000 0.236 66 R C -0.533 175.769 176.300 0.005 0.000 1.240 66 R CA -0.073 56.031 56.100 0.007 0.000 1.111 66 R CB 0.145 30.451 30.300 0.010 0.000 1.436 66 R HN 0.515 nan 8.270 nan 0.000 0.573 73 N N 1.518 120.221 118.700 0.004 0.000 2.293 73 N HA 0.075 3.005 4.740 -3.017 0.000 0.253 73 N C -2.084 173.428 175.510 0.004 0.000 1.248 73 N CA -0.558 52.494 53.050 0.004 0.000 0.845 73 N CB 0.029 38.520 38.487 0.006 0.000 1.073 73 N HN 0.320 nan 8.380 nan 0.000 0.464 74 P HA 0.052 nan 4.420 nan 0.000 0.268 74 P C -0.817 176.485 177.300 0.003 0.000 1.205 74 P CA -0.021 63.079 63.100 0.001 0.000 0.771 74 P CB 0.704 32.402 31.700 -0.003 0.000 0.858 75 V N 2.209 122.125 119.914 0.004 0.000 2.495 75 V HA 0.267 2.577 4.120 -3.017 0.000 0.298 75 V C 0.512 176.612 176.094 0.010 0.000 1.031 75 V CA -0.636 61.668 62.300 0.008 0.000 0.871 75 V CB 1.672 33.500 31.823 0.008 0.000 0.988 75 V HN 0.654 nan 8.190 nan 0.000 0.432 76 S N 3.231 118.940 115.700 0.015 0.000 2.558 76 S HA 0.059 2.719 4.470 -3.017 0.000 0.288 76 S C 1.041 175.658 174.600 0.027 0.000 1.318 76 S CA -0.024 58.188 58.200 0.021 0.000 1.056 76 S CB 1.255 64.477 63.200 0.038 0.000 0.853 76 S HN 0.629 nan 8.310 nan 0.000 0.505 77 V N 3.936 123.867 119.914 0.028 0.000 3.444 77 V HA 0.102 2.412 4.120 -3.017 0.000 0.271 77 V C 0.875 177.002 176.094 0.054 0.000 1.188 77 V CA 1.530 63.850 62.300 0.033 0.000 1.168 77 V CB -0.366 31.474 31.823 0.027 0.000 0.810 77 V HN 0.824 nan 8.190 nan 0.000 0.500 78 S N -1.181 114.563 115.700 0.074 0.000 2.549 78 S HA 0.583 3.243 4.470 -3.017 0.000 0.280 78 S C -2.247 172.406 174.600 0.089 0.000 1.109 78 S CA -1.059 57.203 58.200 0.103 0.000 0.905 78 S CB 2.180 65.498 63.200 0.197 0.000 1.081 78 S HN 0.105 nan 8.310 nan 0.000 0.477 79 P HA 0.268 nan 4.420 nan 0.000 0.245 79 P C -0.248 177.085 177.300 0.054 0.000 1.206 79 P CA 0.137 63.263 63.100 0.044 0.000 0.781 79 P CB -0.049 31.665 31.700 0.023 0.000 0.994 80 L N 0.410 121.691 121.223 0.097 0.000 2.331 80 L HA 0.242 2.772 4.340 -3.017 0.000 0.278 80 L C 0.408 177.381 176.870 0.172 0.000 1.106 80 L CA -0.338 54.566 54.840 0.107 0.000 0.824 80 L CB 0.389 42.481 42.059 0.054 0.000 1.142 80 L HN -0.141 nan 8.230 nan 0.000 0.443 81 L N 2.432 123.735 121.223 0.135 0.000 2.342 81 L HA 0.559 3.089 4.340 -3.017 0.000 0.271 81 L C -0.761 176.277 176.870 0.281 0.000 1.008 81 L CA -0.612 54.343 54.840 0.192 0.000 0.818 81 L CB 2.256 44.350 42.059 0.058 0.000 1.296 81 L HN 0.645 nan 8.230 nan 0.000 0.427 82 C N 0.801 120.303 119.300 0.337 0.000 2.456 82 C HA 0.336 2.986 4.460 -3.017 0.000 0.325 82 C C 0.249 175.393 174.990 0.258 0.000 1.217 82 C CA -0.866 58.325 59.018 0.288 0.000 1.687 82 C CB 1.332 29.239 27.740 0.279 0.000 2.270 82 C HN 0.740 nan 8.230 nan 0.000 0.499 83 E N 1.662 121.931 120.200 0.116 0.000 2.344 83 E HA 0.310 2.850 4.350 -3.017 0.000 0.270 83 E C -0.975 175.589 176.600 -0.060 0.000 1.021 83 E CA -0.217 56.088 56.400 -0.158 0.000 0.887 83 E CB 0.537 30.128 29.700 -0.181 0.000 0.997 83 E HN 0.542 nan 8.360 nan 0.000 0.429 84 L N 3.555 124.718 121.223 -0.101 0.000 2.331 84 L HA 0.301 2.831 4.340 -3.017 0.000 0.278 84 L C 0.315 177.204 176.870 0.030 0.000 1.106 84 L CA -0.549 54.299 54.840 0.013 0.000 0.824 84 L CB 1.180 43.254 42.059 0.024 0.000 1.142 84 L HN 0.610 nan 8.230 nan 0.000 0.443 85 A N 3.418 126.303 122.820 0.109 0.000 2.401 85 A HA 0.742 3.252 4.320 -3.017 0.000 0.259 85 A C 0.026 177.664 177.584 0.090 0.000 1.103 85 A CA 0.186 52.297 52.037 0.124 0.000 0.789 85 A CB 0.462 19.577 19.000 0.191 0.000 1.035 85 A HN 0.867 nan 8.150 nan 0.000 0.491 86 A N 1.029 123.888 122.820 0.065 0.000 2.597 86 A HA 0.732 3.242 4.320 -3.017 0.000 0.292 86 A C -0.126 177.444 177.584 -0.025 0.000 1.057 86 A CA -0.098 51.952 52.037 0.021 0.000 0.674 86 A CB 0.134 19.135 19.000 0.001 0.000 1.278 86 A HN 2.459 nan 8.150 nan 0.000 0.416 87 A N 1.396 124.099 122.820 -0.195 0.000 2.511 87 A HA 0.586 3.096 4.320 -3.017 0.000 0.242 87 A C 0.175 177.670 177.584 -0.149 0.000 1.069 87 A CA 0.073 51.856 52.037 -0.424 0.000 0.763 87 A CB 0.003 18.491 19.000 -0.853 0.000 1.001 87 A HN 0.658 nan 8.150 nan 0.000 0.498 88 R N 2.210 122.682 120.500 -0.047 0.000 2.637 88 R HA 0.406 2.936 4.340 -3.017 0.000 0.291 88 R C 0.924 177.244 176.300 0.033 0.000 0.963 88 R CA -0.577 55.530 56.100 0.011 0.000 0.901 88 R CB 1.280 31.609 30.300 0.048 0.000 1.160 88 R HN 0.767 nan 8.270 nan 0.000 0.457 89 S N 1.559 117.273 115.700 0.023 0.000 2.359 89 S HA -0.066 2.594 4.470 -3.017 0.000 0.224 89 S C 0.630 175.264 174.600 0.057 0.000 1.035 89 S CA 1.359 59.576 58.200 0.028 0.000 1.018 89 S CB 0.112 63.324 63.200 0.019 0.000 0.876 89 S HN 0.288 nan 8.310 nan 0.000 0.448 90 R N 0.896 121.435 120.500 0.065 0.000 2.589 90 R HA 0.580 3.110 4.340 -3.017 0.000 0.293 90 R C -0.189 176.183 176.300 0.121 0.000 0.963 90 R CA -0.364 55.787 56.100 0.085 0.000 0.905 90 R CB 1.263 31.596 30.300 0.054 0.000 1.144 90 R HN 0.369 nan 8.270 nan 0.000 0.459 91 I N -1.872 118.801 120.570 0.171 0.000 3.067 91 I HA 0.308 2.668 4.170 -3.017 0.000 0.312 91 I C 1.045 177.293 176.117 0.219 0.000 1.073 91 I CA -0.882 60.538 61.300 0.199 0.000 1.016 91 I CB 2.241 40.386 38.000 0.242 0.000 1.227 91 I HN 0.594 nan 8.210 nan 0.000 0.456 92 H N 2.193 121.292 119.070 0.049 0.000 2.451 92 H HA 0.295 3.041 4.556 -3.017 0.000 0.294 92 H C -0.267 174.993 175.328 -0.114 0.000 1.028 92 H CA 0.469 56.460 56.048 -0.096 0.000 1.349 92 H CB 0.315 29.862 29.762 -0.358 0.000 1.444 92 H HN 0.484 nan 8.280 nan 0.000 0.538 93 F N 1.922 121.933 119.950 0.101 0.000 2.379 93 F HA 0.189 2.906 4.527 -3.017 0.000 0.332 93 F C 1.100 176.663 175.800 -0.395 0.000 1.096 93 F CA -0.565 57.379 58.000 -0.093 0.000 1.105 93 F CB 0.536 39.524 39.000 -0.020 0.000 1.189 93 F HN 0.067 nan 8.300 nan 0.000 0.515 94 N N 4.235 122.613 118.700 -0.536 0.000 2.402 94 N HA 0.082 3.012 4.740 -3.017 0.000 0.259 94 N C -1.929 173.398 175.510 -0.304 0.000 1.167 94 N CA -1.350 51.141 53.050 -0.933 0.000 0.949 94 N CB 0.875 38.805 38.487 -0.928 0.000 1.212 94 N HN 0.202 nan 8.380 nan 0.000 0.493 95 P HA -0.236 nan 4.420 nan 0.000 0.216 95 P C 1.142 178.437 177.300 -0.009 0.000 1.167 95 P CA 2.108 65.220 63.100 0.021 0.000 0.933 95 P CB -0.179 31.590 31.700 0.116 0.000 0.793 96 T N -3.803 110.735 114.554 -0.026 0.000 3.163 96 T HA -0.006 2.534 4.350 -3.017 0.000 0.260 96 T C 1.041 175.723 174.700 -0.030 0.000 1.156 96 T CA 0.751 62.841 62.100 -0.016 0.000 1.072 96 T CB -0.450 68.414 68.868 -0.007 0.000 0.937 96 T HN 0.140 nan 8.240 nan 0.000 0.528 97 E N 1.097 121.265 120.200 -0.054 0.000 2.641 97 E HA 0.093 2.633 4.350 -3.017 0.000 0.224 97 E C 0.725 177.294 176.600 -0.052 0.000 0.951 97 E CA 0.075 56.447 56.400 -0.046 0.000 1.102 97 E CB 0.967 30.639 29.700 -0.047 0.000 1.091 97 E HN 0.619 nan 8.360 nan 0.000 0.507 98 T N 0.464 114.976 114.554 -0.071 0.000 2.869 98 T HA 0.266 2.806 4.350 -3.017 0.000 0.295 98 T C 0.126 174.756 174.700 -0.117 0.000 0.987 98 T CA -0.010 62.017 62.100 -0.122 0.000 1.109 98 T CB 1.193 69.941 68.868 -0.200 0.000 0.932 98 T HN -0.272 nan 8.240 nan 0.000 0.518 99 T N 5.634 120.107 114.554 -0.135 0.000 2.758 99 T HA 0.504 3.044 4.350 -3.017 0.000 0.285 99 T C 0.029 174.649 174.700 -0.133 0.000 0.981 99 T CA -0.486 61.553 62.100 -0.101 0.000 0.965 99 T CB 0.290 69.120 68.868 -0.063 0.000 0.927 99 T HN 0.614 nan 8.240 nan 0.000 0.448 100 I N 2.374 122.889 120.570 -0.091 0.000 2.392 100 I HA 0.603 2.963 4.170 -3.017 0.000 0.295 100 I C 0.834 176.951 176.117 -0.001 0.000 0.985 100 I CA -0.635 60.631 61.300 -0.057 0.000 1.221 100 I CB 1.632 39.646 38.000 0.025 0.000 1.366 100 I HN 0.658 nan 8.210 nan 0.000 0.467 101 G N 6.431 115.268 108.800 0.063 0.000 2.495 101 G HA2 0.797 2.947 3.960 -3.017 0.000 0.318 101 G HA3 0.797 2.947 3.960 -3.017 0.000 0.318 101 G C -0.997 174.049 174.900 0.244 0.000 1.257 101 G CA -0.466 44.728 45.100 0.157 0.000 0.962 101 G HN 0.475 nan 8.290 nan 0.000 0.483 102 I N 1.108 121.801 120.570 0.205 0.000 2.498 102 I HA 0.547 2.907 4.170 -3.017 0.000 0.290 102 I C -0.733 175.534 176.117 0.251 0.000 1.032 102 I CA -1.214 60.216 61.300 0.218 0.000 1.073 102 I CB 2.207 40.260 38.000 0.088 0.000 1.251 102 I HN 0.319 nan 8.210 nan 0.000 0.426 103 V N 4.783 124.833 119.914 0.226 0.000 2.876 103 V HA 0.729 3.039 4.120 -3.017 0.000 0.312 103 V C -0.552 175.578 176.094 0.059 0.000 1.085 103 V CA -0.113 62.284 62.300 0.162 0.000 0.945 103 V CB 2.574 34.487 31.823 0.151 0.000 1.017 103 V HN 0.881 nan 8.190 nan 0.000 0.428 104 T N 3.078 117.646 114.554 0.022 0.000 2.812 104 T HA 0.751 3.291 4.350 -3.017 0.000 0.282 104 T C -0.530 174.153 174.700 -0.029 0.000 0.990 104 T CA -0.531 61.577 62.100 0.012 0.000 0.960 104 T CB 0.753 69.647 68.868 0.043 0.000 0.948 104 T HN 0.830 nan 8.240 nan 0.000 0.438 105 C N 1.785 121.047 119.300 -0.063 0.000 2.913 105 C HA 1.051 3.701 4.460 -3.017 0.000 0.322 105 C C 1.341 176.327 174.990 -0.007 0.000 1.292 105 C CA 0.307 59.271 59.018 -0.091 0.000 1.649 105 C CB 0.877 28.439 27.740 -0.296 0.000 2.139 105 C HN 1.633 nan 8.230 nan 0.000 0.475 106 G N 0.486 109.296 108.800 0.017 0.000 2.698 106 G HA2 0.325 2.475 3.960 -3.017 0.000 0.233 106 G HA3 0.325 2.475 3.960 -3.017 0.000 0.233 106 G C 0.115 175.049 174.900 0.057 0.000 1.352 106 G CA -0.109 45.017 45.100 0.043 0.000 0.879 106 G HN 1.623 nan 8.290 nan 0.000 0.567 107 G N -0.741 108.096 108.800 0.062 0.000 2.716 107 G HA2 0.620 2.770 3.960 -3.017 0.000 0.251 107 G HA3 0.620 2.770 3.960 -3.017 0.000 0.251 107 G C 0.682 175.633 174.900 0.086 0.000 1.224 107 G CA 0.191 45.336 45.100 0.076 0.000 0.891 107 G HN 1.709 nan 8.290 nan 0.000 0.561 108 I N -2.466 118.163 120.570 0.098 0.000 2.664 108 I HA 0.725 3.085 4.170 -3.017 0.000 0.308 108 I C -0.185 176.004 176.117 0.121 0.000 0.984 108 I CA -1.021 60.346 61.300 0.111 0.000 1.213 108 I CB 1.753 39.815 38.000 0.103 0.000 1.379 108 I HN 0.573 nan 8.210 nan 0.000 0.501 109 C N 4.419 123.809 119.300 0.151 0.000 3.090 109 C HA 0.595 3.245 4.460 -3.017 0.000 0.347 109 C C -2.894 172.236 174.990 0.233 0.000 1.147 109 C CA -1.166 57.947 59.018 0.158 0.000 1.305 109 C CB 1.958 29.757 27.740 0.099 0.000 1.692 109 C HN 0.726 nan 8.230 nan 0.000 0.506 110 P HA 0.362 nan 4.420 nan 0.000 0.264 110 P C 0.773 178.279 177.300 0.344 0.000 1.193 110 P CA 2.232 65.460 63.100 0.212 0.000 0.763 110 P CB 0.457 32.251 31.700 0.156 0.000 0.810 111 G N 1.964 110.891 108.800 0.212 0.000 2.201 111 G HA2 -0.248 1.902 3.960 -3.017 0.000 0.212 111 G HA3 -0.248 1.902 3.960 -3.017 0.000 0.212 111 G C 0.721 175.526 174.900 -0.159 0.000 0.994 111 G CA -0.150 44.986 45.100 0.061 0.000 0.644 111 G HN 0.426 nan 8.290 nan 0.000 0.508 112 L N 1.671 122.922 121.223 0.048 0.000 2.013 112 L HA -0.008 2.522 4.340 -3.017 0.000 0.212 112 L C 2.443 179.273 176.870 -0.067 0.000 1.073 112 L CA 2.564 57.405 54.840 0.002 0.000 0.753 112 L CB -0.819 41.306 42.059 0.109 0.000 0.890 112 L HN 0.396 nan 8.230 nan 0.000 0.432 113 N N -0.839 117.851 118.700 -0.016 0.000 2.331 113 N HA -0.132 2.798 4.740 -3.017 0.000 0.180 113 N C 1.503 176.989 175.510 -0.041 0.000 1.019 113 N CA 0.896 53.944 53.050 -0.005 0.000 0.881 113 N CB -0.173 38.357 38.487 0.071 0.000 0.972 113 N HN 0.434 nan 8.380 nan 0.000 0.435 114 D N 0.460 120.814 120.400 -0.077 0.000 2.117 114 D HA -0.058 2.772 4.640 -3.017 0.000 0.198 114 D C 1.904 178.074 176.300 -0.216 0.000 0.982 114 D CA 0.638 54.564 54.000 -0.123 0.000 0.828 114 D CB 0.386 41.117 40.800 -0.115 0.000 0.967 114 D HN -0.021 nan 8.370 nan 0.000 0.464 115 V N 1.725 121.456 119.914 -0.306 0.000 2.233 115 V HA -0.250 2.060 4.120 -3.017 0.000 0.247 115 V C 2.587 178.532 176.094 -0.249 0.000 1.050 115 V CA 1.247 63.342 62.300 -0.343 0.000 1.010 115 V CB -0.411 31.146 31.823 -0.443 0.000 0.637 115 V HN 0.169 nan 8.190 nan 0.000 0.444 116 I N -0.303 120.160 120.570 -0.179 0.000 2.118 116 I HA -0.330 2.030 4.170 -3.017 0.000 0.241 116 I C 2.766 178.795 176.117 -0.147 0.000 1.070 116 I CA 2.219 63.436 61.300 -0.138 0.000 1.327 116 I CB -0.484 37.462 38.000 -0.090 0.000 1.034 116 I HN 0.242 nan 8.210 nan 0.000 0.405 117 R N 0.628 121.050 120.500 -0.131 0.000 2.073 117 R HA -0.160 2.369 4.340 -3.017 0.000 0.234 117 R C 2.394 178.594 176.300 -0.166 0.000 1.134 117 R CA 2.049 58.074 56.100 -0.126 0.000 0.952 117 R CB -0.126 30.112 30.300 -0.104 0.000 0.850 117 R HN 0.234 nan 8.270 nan 0.000 0.433 118 S N 0.571 116.149 115.700 -0.205 0.000 2.387 118 S HA -0.044 2.616 4.470 -3.017 0.000 0.226 118 S C 1.887 176.334 174.600 -0.256 0.000 1.026 118 S CA 1.080 59.144 58.200 -0.227 0.000 0.972 118 S CB -0.120 62.930 63.200 -0.250 0.000 0.814 118 S HN 0.290 nan 8.310 nan 0.000 0.477 119 I N 1.468 121.856 120.570 -0.304 0.000 2.142 119 I HA -0.211 2.149 4.170 -3.017 0.000 0.240 119 I C 2.547 178.523 176.117 -0.236 0.000 1.078 119 I CA 1.235 62.307 61.300 -0.380 0.000 1.343 119 I CB -0.958 36.750 38.000 -0.486 0.000 1.046 119 I HN 0.267 nan 8.210 nan 0.000 0.405 120 T N 1.522 115.972 114.554 -0.173 0.000 2.652 120 T HA -0.174 2.366 4.350 -3.017 0.000 0.267 120 T C 1.955 176.600 174.700 -0.091 0.000 1.039 120 T CA 1.444 63.477 62.100 -0.112 0.000 1.153 120 T CB -0.421 68.385 68.868 -0.103 0.000 0.863 120 T HN 0.235 nan 8.240 nan 0.000 0.428 121 L N 0.638 121.798 121.223 -0.106 0.000 2.056 121 L HA -0.103 2.427 4.340 -3.017 0.000 0.207 121 L C 2.937 179.761 176.870 -0.077 0.000 1.078 121 L CA 1.225 56.015 54.840 -0.084 0.000 0.749 121 L CB -1.132 40.867 42.059 -0.099 0.000 0.901 121 L HN 0.321 nan 8.230 nan 0.000 0.433 122 T N -0.300 114.187 114.554 -0.111 0.000 2.746 122 T HA -0.131 2.409 4.350 -3.017 0.000 0.267 122 T C 1.868 176.577 174.700 0.016 0.000 1.039 122 T CA 1.322 63.368 62.100 -0.090 0.000 1.142 122 T CB -0.603 68.150 68.868 -0.192 0.000 0.866 122 T HN 0.552 nan 8.240 nan 0.000 0.444 123 G N 1.356 110.147 108.800 -0.014 0.000 2.459 123 G HA2 -0.141 2.009 3.960 -3.017 0.000 0.217 123 G HA3 -0.141 2.009 3.960 -3.017 0.000 0.217 123 G C 1.535 176.471 174.900 0.060 0.000 1.183 123 G CA 0.565 45.689 45.100 0.040 0.000 0.776 123 G HN 0.481 nan 8.290 nan 0.000 0.552 124 I N 0.585 121.162 120.570 0.012 0.000 2.286 124 I HA -0.091 2.269 4.170 -3.017 0.000 0.245 124 I C 2.416 178.536 176.117 0.005 0.000 1.104 124 I CA 0.807 62.113 61.300 0.009 0.000 1.397 124 I CB -0.116 37.884 38.000 -0.001 0.000 1.072 124 I HN 0.080 nan 8.210 nan 0.000 0.417 125 N N 0.095 118.789 118.700 -0.010 0.000 2.278 125 N HA -0.043 2.887 4.740 -3.017 0.000 0.181 125 N C 1.813 177.298 175.510 -0.041 0.000 1.023 125 N CA 0.997 54.032 53.050 -0.026 0.000 0.862 125 N CB -0.213 38.251 38.487 -0.038 0.000 1.003 125 N HN 0.084 nan 8.380 nan 0.000 0.431 126 V N -0.354 119.536 119.914 -0.041 0.000 2.379 126 V HA -0.072 2.238 4.120 -3.017 0.000 0.243 126 V C 1.253 177.190 176.094 -0.262 0.000 1.035 126 V CA 1.276 63.489 62.300 -0.145 0.000 1.035 126 V CB -0.440 31.300 31.823 -0.137 0.000 0.673 126 V HN 0.222 nan 8.190 nan 0.000 0.457 127 Y N -0.699 119.596 120.300 -0.008 0.000 2.458 127 Y HA 0.295 3.035 4.550 -3.017 0.000 0.254 127 Y C 1.351 177.244 175.900 -0.011 0.000 1.120 127 Y CA 0.208 58.310 58.100 0.003 0.000 1.282 127 Y CB -0.086 38.379 38.460 0.008 0.000 1.109 127 Y HN 0.328 nan 8.280 nan 0.000 0.526 128 N N 1.068 119.819 118.700 0.085 0.000 2.740 128 N HA -0.171 2.759 4.740 -3.017 0.000 0.248 128 N C -0.225 175.311 175.510 0.044 0.000 1.062 128 N CA 0.034 53.108 53.050 0.040 0.000 0.704 128 N CB -0.790 37.705 38.487 0.013 0.000 0.968 128 N HN 0.156 nan 8.380 nan 0.000 0.547 129 V N -1.638 118.309 119.914 0.056 0.000 3.332 129 V HA 0.001 2.311 4.120 -3.017 0.000 0.305 129 V C 1.733 177.826 176.094 -0.002 0.000 1.114 129 V CA 0.529 62.841 62.300 0.020 0.000 1.194 129 V CB 0.990 32.811 31.823 -0.003 0.000 1.027 129 V HN 0.308 nan 8.190 nan 0.000 0.492 130 K N 1.696 122.084 120.400 -0.019 0.000 1.985 130 K HA -0.037 2.473 4.320 -3.017 0.000 0.210 130 K C 1.019 177.609 176.600 -0.018 0.000 1.047 130 K CA 1.953 58.229 56.287 -0.019 0.000 0.932 130 K CB 0.074 32.558 32.500 -0.026 0.000 0.716 130 K HN 0.958 nan 8.250 nan 0.000 0.439 131 R N -1.680 118.803 120.500 -0.027 0.000 2.710 131 R HA 0.421 2.951 4.340 -3.017 0.000 0.270 131 R C -1.740 174.536 176.300 -0.040 0.000 1.021 131 R CA -1.043 55.041 56.100 -0.026 0.000 0.889 131 R CB 1.638 31.922 30.300 -0.027 0.000 1.243 131 R HN -0.144 nan 8.270 nan 0.000 0.464 132 V N 2.743 122.631 119.914 -0.044 0.000 2.448 132 V HA 0.494 2.804 4.120 -3.017 0.000 0.295 132 V C -0.279 175.747 176.094 -0.114 0.000 1.025 132 V CA -0.656 61.605 62.300 -0.064 0.000 0.859 132 V CB 1.544 33.334 31.823 -0.055 0.000 0.988 132 V HN 0.591 nan 8.190 nan 0.000 0.431 133 I N 3.455 123.926 120.570 -0.166 0.000 2.404 133 I HA 0.648 3.008 4.170 -3.017 0.000 0.293 133 I C 0.725 176.592 176.117 -0.416 0.000 0.992 133 I CA -0.284 60.819 61.300 -0.329 0.000 1.149 133 I CB 1.943 39.666 38.000 -0.462 0.000 1.315 133 I HN 0.720 nan 8.210 nan 0.000 0.446 134 G N 5.677 114.231 108.800 -0.410 0.000 2.368 134 G HA2 0.613 2.763 3.960 -3.017 0.000 0.320 134 G HA3 0.613 2.763 3.960 -3.017 0.000 0.320 134 G C -1.031 173.630 174.900 -0.399 0.000 1.158 134 G CA -0.256 44.658 45.100 -0.310 0.000 0.912 134 G HN 0.274 nan 8.290 nan 0.000 0.456 135 F N 1.975 121.919 119.950 -0.011 0.000 2.404 135 F HA 0.486 3.203 4.527 -3.017 0.000 0.339 135 F C 0.935 176.731 175.800 -0.008 0.000 1.105 135 F CA -0.857 57.149 58.000 0.010 0.000 1.087 135 F CB 1.421 40.450 39.000 0.048 0.000 1.143 135 F HN 0.101 nan 8.300 nan 0.000 0.491 136 R N 2.407 123.025 120.500 0.196 0.000 2.410 136 R HA 0.287 2.817 4.340 -3.017 0.000 0.288 136 R C -0.595 175.821 176.300 0.193 0.000 1.051 136 R CA -0.853 55.225 56.100 -0.038 0.000 1.021 136 R CB -0.065 30.182 30.300 -0.089 0.000 1.032 136 R HN 0.672 nan 8.270 nan 0.000 0.481 137 F N 0.409 120.477 119.950 0.197 0.000 2.969 137 F HA -0.261 2.456 4.527 -3.017 0.000 0.273 137 F C 1.354 177.268 175.800 0.191 0.000 0.986 137 F CA 1.372 59.454 58.000 0.137 0.000 0.926 137 F CB -2.197 36.808 39.000 0.009 0.000 0.887 137 F HN 1.026 nan 8.300 nan 0.000 0.816 138 G N -0.713 108.224 108.800 0.228 0.000 2.564 138 G HA2 -0.387 1.763 3.960 -3.017 0.000 0.273 138 G HA3 -0.387 1.763 3.960 -3.017 0.000 0.273 138 G C 0.477 175.482 174.900 0.175 0.000 1.242 138 G CA 0.309 45.465 45.100 0.094 0.000 0.951 138 G HN 0.329 nan 8.290 nan 0.000 0.564 139 Y N -0.416 119.997 120.300 0.188 0.000 2.333 139 Y HA 0.065 2.805 4.550 -3.017 0.000 0.290 139 Y C 2.584 178.570 175.900 0.143 0.000 1.144 139 Y CA 1.563 59.730 58.100 0.111 0.000 1.228 139 Y CB -0.653 37.849 38.460 0.071 0.000 0.985 139 Y HN 0.594 nan 8.280 nan 0.000 0.542 140 W N 0.879 122.301 121.300 0.204 0.000 2.313 140 W HA -0.203 2.647 4.660 -3.016 0.000 0.293 140 W C 2.305 178.916 176.519 0.152 0.000 1.216 140 W CA 2.054 59.492 57.345 0.155 0.000 1.223 140 W CB -0.594 28.959 29.460 0.156 0.000 1.138 140 W HN 0.042 nan 8.180 nan 0.000 0.535 141 G N -0.114 108.921 108.800 0.392 0.000 2.625 141 G HA2 -0.150 2.000 3.960 -3.017 0.000 0.214 141 G HA3 -0.150 2.000 3.960 -3.017 0.000 0.214 141 G C 0.996 175.883 174.900 -0.023 0.000 1.132 141 G CA 0.752 45.978 45.100 0.211 0.000 0.782 141 G HN 0.258 nan 8.290 nan 0.000 0.538 142 L N 1.214 122.349 121.223 -0.148 0.000 2.616 142 L HA 0.242 2.772 4.340 -3.017 0.000 0.229 142 L C 1.825 178.546 176.870 -0.249 0.000 1.110 142 L CA 0.161 54.803 54.840 -0.329 0.000 0.884 142 L CB 0.270 42.113 42.059 -0.359 0.000 1.115 142 L HN 0.206 nan 8.230 nan 0.000 0.481 143 S N -1.298 114.241 115.700 -0.268 0.000 2.589 143 S HA 0.021 2.681 4.470 -3.017 0.000 0.265 143 S C 1.361 175.804 174.600 -0.262 0.000 1.342 143 S CA -0.362 57.679 58.200 -0.266 0.000 1.005 143 S CB 0.794 63.797 63.200 -0.329 0.000 0.909 143 S HN 0.214 nan 8.310 nan 0.000 0.555 144 K N 1.036 121.324 120.400 -0.186 0.000 2.032 144 K HA -0.200 2.310 4.320 -3.017 0.000 0.209 144 K C 2.203 178.701 176.600 -0.171 0.000 1.048 144 K CA 1.766 57.970 56.287 -0.139 0.000 0.927 144 K CB -0.353 32.093 32.500 -0.090 0.000 0.712 144 K HN 0.738 nan 8.250 nan 0.000 0.441 145 K N -0.398 119.872 120.400 -0.217 0.000 1.985 145 K HA -0.122 2.388 4.320 -3.017 0.000 0.210 145 K C 2.125 178.475 176.600 -0.418 0.000 1.047 145 K CA 1.769 57.921 56.287 -0.224 0.000 0.932 145 K CB -0.488 31.924 32.500 -0.147 0.000 0.716 145 K HN 0.311 nan 8.250 nan 0.000 0.439 146 G N 0.470 108.730 108.800 -0.901 0.000 2.442 146 G HA2 -0.301 1.849 3.960 -3.017 0.000 0.219 146 G HA3 -0.301 1.849 3.960 -3.017 0.000 0.219 146 G C 1.491 176.123 174.900 -0.447 0.000 1.141 146 G CA 1.275 45.568 45.100 -1.345 0.000 0.763 146 G HN 0.526 nan 8.290 nan 0.000 0.554 147 S N 1.179 116.727 115.700 -0.252 0.000 2.440 147 S HA -0.250 2.410 4.470 -3.017 0.000 0.240 147 S C 2.195 176.807 174.600 0.020 0.000 1.014 147 S CA 1.752 59.936 58.200 -0.026 0.000 0.980 147 S CB -0.497 62.689 63.200 -0.023 0.000 0.775 147 S HN 0.777 nan 8.310 nan 0.000 0.499 148 Q N 1.591 121.378 119.800 -0.021 0.000 2.364 148 Q HA -0.067 2.463 4.340 -3.017 0.000 0.207 148 Q C 1.788 177.823 176.000 0.059 0.000 0.970 148 Q CA 1.514 57.331 55.803 0.022 0.000 0.888 148 Q CB -1.052 27.699 28.738 0.022 0.000 0.951 148 Q HN 0.735 nan 8.270 nan 0.000 0.469 149 T N -2.625 111.985 114.554 0.092 0.000 3.086 149 T HA 0.510 3.050 4.350 -3.017 0.000 0.250 149 T C 0.758 175.507 174.700 0.082 0.000 1.074 149 T CA -0.081 62.100 62.100 0.135 0.000 0.988 149 T CB 0.159 69.196 68.868 0.281 0.000 0.988 149 T HN 0.403 nan 8.240 nan 0.000 0.530 150 A N 2.246 125.103 122.820 0.062 0.000 2.520 150 A HA 0.554 3.064 4.320 -3.017 0.000 0.235 150 A C 0.484 178.011 177.584 -0.094 0.000 1.065 150 A CA -0.480 51.529 52.037 -0.047 0.000 0.764 150 A CB -0.371 18.576 19.000 -0.088 0.000 1.002 150 A HN 0.896 nan 8.150 nan 0.000 0.502 151 I N -1.422 119.050 120.570 -0.164 0.000 2.892 151 I HA 0.684 3.044 4.170 -3.017 0.000 0.306 151 I C -0.293 175.724 176.117 -0.166 0.000 1.078 151 I CA -0.837 60.386 61.300 -0.129 0.000 1.032 151 I CB 2.078 40.008 38.000 -0.117 0.000 1.229 151 I HN 0.703 nan 8.210 nan 0.000 0.435 152 E N 4.277 124.412 120.200 -0.107 0.000 2.174 152 E HA 0.450 2.990 4.350 -3.017 0.000 0.282 152 E C -1.427 175.095 176.600 -0.129 0.000 0.992 152 E CA -0.750 55.596 56.400 -0.089 0.000 0.803 152 E CB 1.440 31.137 29.700 -0.004 0.000 1.090 152 E HN 0.593 nan 8.360 nan 0.000 0.396 153 L N 5.780 126.908 121.223 -0.158 0.000 2.276 153 L HA 0.358 2.888 4.340 -3.017 0.000 0.286 153 L C -0.263 176.519 176.870 -0.147 0.000 1.061 153 L CA -0.491 54.213 54.840 -0.227 0.000 0.807 153 L CB 0.346 42.303 42.059 -0.170 0.000 1.177 153 L HN 0.665 nan 8.230 nan 0.000 0.429 154 H N 0.110 119.149 119.070 -0.052 0.000 2.949 154 H HA 0.521 3.267 4.556 -3.017 0.000 0.356 154 H C 0.412 175.718 175.328 -0.035 0.000 1.212 154 H CA -1.249 54.773 56.048 -0.042 0.000 1.136 154 H CB 0.744 30.484 29.762 -0.036 0.000 1.869 154 H HN 0.259 nan 8.280 nan 0.000 0.556 155 R N 0.337 120.931 120.500 0.157 0.000 2.133 155 R HA -0.191 2.339 4.340 -3.017 0.000 0.245 155 R C 2.120 178.490 176.300 0.118 0.000 1.137 155 R CA 2.068 58.220 56.100 0.087 0.000 0.947 155 R CB -0.971 29.365 30.300 0.060 0.000 0.865 155 R HN 0.851 nan 8.270 nan 0.000 0.437 156 G N 0.683 109.648 108.800 0.276 0.000 2.448 156 G HA2 -0.301 1.849 3.960 -3.017 0.000 0.219 156 G HA3 -0.301 1.849 3.960 -3.017 0.000 0.219 156 G C 1.559 176.520 174.900 0.103 0.000 1.127 156 G CA 0.759 45.989 45.100 0.216 0.000 0.766 156 G HN 0.222 nan 8.290 nan 0.000 0.552 157 R N 0.095 120.556 120.500 -0.066 0.000 2.127 157 R HA 0.061 2.591 4.340 -3.017 0.000 0.217 157 R C 2.320 178.559 176.300 -0.102 0.000 1.074 157 R CA 1.389 57.367 56.100 -0.204 0.000 0.991 157 R CB -0.084 29.899 30.300 -0.528 0.000 0.895 157 R HN 0.355 nan 8.270 nan 0.000 0.450 158 V N -3.565 116.308 119.914 -0.067 0.000 3.578 158 V HA 0.202 2.512 4.120 -3.017 0.000 0.290 158 V C 1.302 177.425 176.094 0.048 0.000 1.376 158 V CA 0.570 62.855 62.300 -0.025 0.000 1.083 158 V CB 0.301 32.088 31.823 -0.061 0.000 0.911 158 V HN 0.080 nan 8.190 nan 0.000 0.433 159 T N 2.317 116.909 114.554 0.063 0.000 2.649 159 T HA -0.202 2.338 4.350 -3.017 0.000 0.268 159 T C 1.471 176.326 174.700 0.258 0.000 1.036 159 T CA 2.667 64.833 62.100 0.110 0.000 1.157 159 T CB -0.351 68.578 68.868 0.101 0.000 0.861 159 T HN 0.571 nan 8.240 nan 0.000 0.445 160 N N 0.168 119.045 118.700 0.294 0.000 2.177 160 N HA 0.251 3.181 4.740 -3.017 0.000 0.218 160 N C 1.482 177.282 175.510 0.484 0.000 1.182 160 N CA -0.113 53.196 53.050 0.431 0.000 0.882 160 N CB 0.054 38.713 38.487 0.286 0.000 1.052 160 N HN 0.573 nan 8.380 nan 0.000 0.519 161 I N -0.989 119.816 120.570 0.391 0.000 2.614 161 I HA -0.159 2.201 4.170 -3.017 0.000 0.258 161 I C 1.753 178.071 176.117 0.335 0.000 1.189 161 I CA 1.164 62.672 61.300 0.347 0.000 1.462 161 I CB -0.640 37.447 38.000 0.145 0.000 1.092 161 I HN 0.108 nan 8.210 nan 0.000 0.442 162 H N -0.389 118.722 119.070 0.068 0.000 2.541 162 H HA -0.106 2.640 4.556 -3.017 0.000 0.289 162 H C 1.360 176.567 175.328 -0.201 0.000 1.054 162 H CA 1.492 57.486 56.048 -0.089 0.000 1.250 162 H CB -0.979 28.672 29.762 -0.186 0.000 1.369 162 H HN 0.491 nan 8.280 nan 0.000 0.578 163 H N -0.789 118.015 119.070 -0.443 0.000 2.547 163 H HA 0.145 2.891 4.556 -3.017 0.000 0.266 163 H C -0.570 174.303 175.328 -0.757 0.000 0.988 163 H CA 0.208 55.858 56.048 -0.663 0.000 1.147 163 H CB 0.163 29.398 29.762 -0.878 0.000 1.365 163 H HN 0.415 nan 8.280 nan 0.000 0.589 164 Y N -0.582 119.729 120.300 0.019 0.000 2.468 164 Y HA 0.505 3.245 4.550 -3.017 0.000 0.342 164 Y C 1.027 176.941 175.900 0.024 0.000 1.021 164 Y CA -1.290 56.825 58.100 0.024 0.000 1.079 164 Y CB 1.361 39.834 38.460 0.021 0.000 1.226 164 Y HN 0.028 nan 8.280 nan 0.000 0.460 165 G N 0.154 109.052 108.800 0.165 0.000 2.621 165 G HA2 0.480 2.629 3.960 -3.017 0.000 0.271 165 G HA3 0.480 2.629 3.960 -3.017 0.000 0.271 165 G C 0.338 175.313 174.900 0.126 0.000 1.236 165 G CA 0.103 45.276 45.100 0.122 0.000 0.958 165 G HN 1.185 nan 8.290 nan 0.000 0.512 166 G N -1.662 107.201 108.800 0.106 0.000 2.642 166 G HA2 0.244 2.394 3.960 -3.017 0.000 0.231 166 G HA3 0.244 2.394 3.960 -3.017 0.000 0.231 166 G C 0.132 175.080 174.900 0.080 0.000 1.338 166 G CA 0.667 45.820 45.100 0.088 0.000 0.883 166 G HN 1.904 nan 8.290 nan 0.000 0.570 167 T N -0.785 113.802 114.554 0.055 0.000 2.879 167 T HA 0.575 3.115 4.350 -3.017 0.000 0.290 167 T C 1.775 176.465 174.700 -0.015 0.000 0.993 167 T CA 0.267 62.383 62.100 0.027 0.000 0.975 167 T CB 0.918 69.805 68.868 0.031 0.000 0.981 167 T HN 1.651 nan 8.240 nan 0.000 0.439 168 I N 2.684 123.230 120.570 -0.039 0.000 2.493 168 I HA 0.042 2.402 4.170 -3.017 0.000 0.254 168 I C 1.224 177.259 176.117 -0.137 0.000 1.160 168 I CA 0.990 62.241 61.300 -0.083 0.000 1.445 168 I CB -0.275 37.671 38.000 -0.091 0.000 1.086 168 I HN 0.432 nan 8.210 nan 0.000 0.433 169 L N 1.850 122.994 121.223 -0.132 0.000 2.217 169 L HA 0.282 2.812 4.340 -3.017 0.000 0.211 169 L C 1.383 178.049 176.870 -0.339 0.000 1.107 169 L CA 1.276 56.001 54.840 -0.192 0.000 0.783 169 L CB -1.727 40.273 42.059 -0.099 0.000 0.919 169 L HN 0.667 nan 8.230 nan 0.000 0.442 170 G N -1.107 107.570 108.800 -0.205 0.000 2.814 170 G HA2 -0.066 2.084 3.960 -3.017 0.000 0.677 170 G HA3 -0.066 2.084 3.960 -3.017 0.000 0.677 170 G C -0.306 174.626 174.900 0.052 0.000 1.429 170 G CA -0.078 44.957 45.100 -0.108 0.000 0.868 170 G HN 0.488 nan 8.290 nan 0.000 0.553 171 S N -1.129 114.709 115.700 0.231 0.000 2.732 171 S HA 1.000 3.660 4.470 -3.017 0.000 0.293 171 S C 0.057 174.783 174.600 0.210 0.000 1.159 171 S CA 1.093 59.398 58.200 0.175 0.000 0.847 171 S CB 1.691 64.951 63.200 0.100 0.000 1.169 171 S HN 2.681 nan 8.310 nan 0.000 0.501 172 S N 0.755 116.534 115.700 0.130 0.000 2.643 172 S HA 0.775 3.435 4.470 -3.017 0.000 0.270 172 S C -1.406 173.241 174.600 0.078 0.000 1.166 172 S CA -0.969 57.283 58.200 0.087 0.000 0.815 172 S CB 1.549 64.813 63.200 0.107 0.000 1.139 172 S HN 0.847 nan 8.310 nan 0.000 0.472 173 R N -0.516 120.023 120.500 0.065 0.000 2.803 173 R HA 0.819 3.349 4.340 -3.017 0.000 0.276 173 R C 0.051 176.409 176.300 0.097 0.000 0.978 173 R CA 0.936 57.082 56.100 0.076 0.000 0.939 173 R CB 1.611 31.942 30.300 0.053 0.000 1.179 173 R HN 1.922 nan 8.270 nan 0.000 0.472 174 G N 2.504 111.371 108.800 0.110 0.000 2.719 174 G HA2 -0.126 2.024 3.960 -3.017 0.000 0.686 174 G HA3 -0.126 2.024 3.960 -3.017 0.000 0.686 174 G C -2.745 172.246 174.900 0.151 0.000 1.201 174 G CA -1.126 44.042 45.100 0.114 0.000 0.768 174 G HN 0.493 nan 8.290 nan 0.000 0.629 175 P HA 0.485 nan 4.420 nan 0.000 0.274 175 P C -0.399 176.960 177.300 0.097 0.000 1.237 175 P CA -0.332 62.830 63.100 0.103 0.000 0.793 175 P CB 0.851 32.582 31.700 0.052 0.000 0.977 176 Q N 0.103 119.932 119.800 0.048 0.000 2.445 176 Q HA 0.293 2.823 4.340 -3.017 0.000 0.281 176 Q C -0.815 175.155 176.000 -0.050 0.000 1.101 176 Q CA -0.646 55.165 55.803 0.014 0.000 0.833 176 Q CB 1.179 29.927 28.738 0.018 0.000 1.416 176 Q HN 0.414 nan 8.270 nan 0.000 0.451 177 D N 1.379 121.747 120.400 -0.054 0.000 2.339 177 D HA 0.132 2.962 4.640 -3.017 0.000 0.256 177 D C -1.725 174.515 176.300 -0.099 0.000 1.214 177 D CA -1.711 52.249 54.000 -0.066 0.000 0.877 177 D CB 1.164 41.933 40.800 -0.052 0.000 1.111 177 D HN 0.045 nan 8.370 nan 0.000 0.478 178 P HA -0.107 nan 4.420 nan 0.000 0.219 178 P C 0.908 178.144 177.300 -0.106 0.000 1.146 178 P CA 1.246 64.268 63.100 -0.130 0.000 0.808 178 P CB 0.369 32.001 31.700 -0.113 0.000 0.779 179 K N -0.264 120.088 120.400 -0.081 0.000 2.062 179 K HA -0.099 2.411 4.320 -3.017 0.000 0.205 179 K C 2.071 178.627 176.600 -0.073 0.000 1.051 179 K CA 1.091 57.338 56.287 -0.067 0.000 0.941 179 K CB -0.249 32.220 32.500 -0.051 0.000 0.719 179 K HN 0.207 nan 8.250 nan 0.000 0.440 180 E N 0.546 120.698 120.200 -0.080 0.000 2.058 180 E HA -0.210 2.330 4.350 -3.017 0.000 0.194 180 E C 2.075 178.606 176.600 -0.115 0.000 0.997 180 E CA 1.360 57.706 56.400 -0.090 0.000 0.801 180 E CB -0.125 29.518 29.700 -0.095 0.000 0.746 180 E HN 0.312 nan 8.360 nan 0.000 0.450 181 M N 0.545 120.062 119.600 -0.138 0.000 2.108 181 M HA -0.156 2.514 4.480 -3.017 0.000 0.261 181 M C 2.489 178.693 176.300 -0.160 0.000 1.066 181 M CA 1.212 56.405 55.300 -0.178 0.000 1.107 181 M CB -0.299 32.176 32.600 -0.209 0.000 1.356 181 M HN 0.012 nan 8.290 nan 0.000 0.406 182 V N 0.211 120.052 119.914 -0.121 0.000 2.548 182 V HA -0.218 2.092 4.120 -3.017 0.000 0.249 182 V C 1.697 177.750 176.094 -0.068 0.000 1.055 182 V CA 1.572 63.819 62.300 -0.089 0.000 1.065 182 V CB -0.759 31.022 31.823 -0.071 0.000 0.681 182 V HN 0.356 nan 8.190 nan 0.000 0.462 183 D N 0.446 120.806 120.400 -0.067 0.000 2.106 183 D HA -0.178 2.652 4.640 -3.017 0.000 0.191 183 D C 2.293 178.565 176.300 -0.046 0.000 0.997 183 D CA 2.160 56.130 54.000 -0.050 0.000 0.834 183 D CB -0.565 40.204 40.800 -0.052 0.000 0.956 183 D HN 0.383 nan 8.370 nan 0.000 0.448 184 T N 1.241 115.752 114.554 -0.072 0.000 2.652 184 T HA -0.129 2.411 4.350 -3.017 0.000 0.267 184 T C 2.243 176.931 174.700 -0.020 0.000 1.039 184 T CA 0.789 62.854 62.100 -0.058 0.000 1.153 184 T CB -0.468 68.322 68.868 -0.131 0.000 0.863 184 T HN 0.134 nan 8.240 nan 0.000 0.428 185 L N 0.617 121.804 121.223 -0.060 0.000 2.081 185 L HA -0.155 2.375 4.340 -3.017 0.000 0.212 185 L C 2.800 179.681 176.870 0.018 0.000 1.080 185 L CA 1.509 56.343 54.840 -0.009 0.000 0.754 185 L CB -0.612 41.420 42.059 -0.044 0.000 0.893 185 L HN 0.358 nan 8.230 nan 0.000 0.433 186 E N -0.167 120.033 120.200 0.000 0.000 2.028 186 E HA -0.231 2.309 4.350 -3.017 0.000 0.190 186 E C 2.289 178.899 176.600 0.015 0.000 0.984 186 E CA 0.859 57.264 56.400 0.008 0.000 0.800 186 E CB -0.099 29.601 29.700 -0.001 0.000 0.758 186 E HN 0.340 nan 8.360 nan 0.000 0.448 187 R N 0.610 121.118 120.500 0.013 0.000 2.105 187 R HA -0.163 2.367 4.340 -3.017 0.000 0.239 187 R C 1.796 178.114 176.300 0.029 0.000 1.135 187 R CA 1.097 57.207 56.100 0.017 0.000 0.967 187 R CB 0.017 30.324 30.300 0.012 0.000 0.861 187 R HN 0.074 nan 8.270 nan 0.000 0.442 188 L N -0.330 120.923 121.223 0.051 0.000 2.509 188 L HA 0.272 2.802 4.340 -3.017 0.000 0.222 188 L C 1.195 178.090 176.870 0.041 0.000 1.123 188 L CA 1.457 56.334 54.840 0.061 0.000 0.856 188 L CB 0.105 42.240 42.059 0.126 0.000 0.985 188 L HN 0.537 nan 8.230 nan 0.000 0.456 189 G N -0.416 108.405 108.800 0.034 0.000 2.149 189 G HA2 -0.223 1.927 3.960 -3.017 0.000 0.235 189 G HA3 -0.223 1.927 3.960 -3.017 0.000 0.235 189 G C 0.222 175.126 174.900 0.006 0.000 1.018 189 G CA 0.143 45.254 45.100 0.018 0.000 0.728 189 G HN 0.093 nan 8.290 nan 0.000 0.508 190 V N 0.060 119.988 119.914 0.023 0.000 2.572 190 V HA 0.203 2.513 4.120 -3.017 0.000 0.291 190 V C 1.381 177.442 176.094 -0.055 0.000 1.039 190 V CA 1.076 63.375 62.300 -0.001 0.000 1.055 190 V CB 1.211 33.076 31.823 0.070 0.000 0.969 190 V HN 0.482 nan 8.190 nan 0.000 0.482 191 N N 3.390 121.988 118.700 -0.170 0.000 2.454 191 N HA 0.352 3.282 4.740 -3.017 0.000 0.177 191 N C -0.201 175.022 175.510 -0.478 0.000 1.049 191 N CA 0.204 53.062 53.050 -0.320 0.000 0.887 191 N CB 0.505 38.644 38.487 -0.580 0.000 1.095 191 N HN 0.578 nan 8.380 nan 0.000 0.446 192 I N 1.227 121.530 120.570 -0.445 0.000 2.499 192 I HA 0.259 2.619 4.170 -3.017 0.000 0.288 192 I C -1.300 174.626 176.117 -0.319 0.000 1.048 192 I CA -0.557 60.468 61.300 -0.460 0.000 1.062 192 I CB 2.741 40.328 38.000 -0.688 0.000 1.238 192 I HN -0.054 nan 8.210 nan 0.000 0.426 193 L N 6.344 127.426 121.223 -0.235 0.000 2.265 193 L HA 0.515 3.045 4.340 -3.017 0.000 0.289 193 L C -1.262 175.532 176.870 -0.127 0.000 1.033 193 L CA -0.496 54.299 54.840 -0.075 0.000 0.814 193 L CB 0.897 42.967 42.059 0.019 0.000 1.203 193 L HN 0.438 nan 8.230 nan 0.000 0.423 194 F N 2.195 122.207 119.950 0.104 0.000 2.404 194 F HA 0.235 2.952 4.527 -3.017 0.000 0.358 194 F C 0.862 176.741 175.800 0.131 0.000 1.120 194 F CA -0.489 57.585 58.000 0.124 0.000 1.144 194 F CB 1.558 40.592 39.000 0.056 0.000 1.133 194 F HN 0.381 nan 8.300 nan 0.000 0.495 195 T N 1.169 115.913 114.554 0.318 0.000 2.753 195 T HA 0.609 3.149 4.350 -3.017 0.000 0.297 195 T C -0.519 174.298 174.700 0.195 0.000 0.981 195 T CA -0.771 61.459 62.100 0.218 0.000 0.956 195 T CB 0.588 69.588 68.868 0.220 0.000 0.936 195 T HN 0.221 nan 8.240 nan 0.000 0.463 196 V N 3.549 123.550 119.914 0.144 0.000 2.347 196 V HA 0.872 3.182 4.120 -3.017 0.000 0.280 196 V C 0.843 177.008 176.094 0.119 0.000 1.021 196 V CA 0.044 62.439 62.300 0.158 0.000 0.847 196 V CB 0.421 32.328 31.823 0.140 0.000 0.990 196 V HN 1.383 nan 8.190 nan 0.000 0.444 197 G N 3.164 112.044 108.800 0.133 0.000 2.327 197 G HA2 0.528 2.678 3.960 -3.017 0.000 0.291 197 G HA3 0.528 2.678 3.960 -3.017 0.000 0.291 197 G C -0.233 174.709 174.900 0.071 0.000 1.290 197 G CA -0.033 45.116 45.100 0.083 0.000 0.857 197 G HN 0.909 nan 8.290 nan 0.000 0.520 198 G N -1.127 107.704 108.800 0.051 0.000 2.531 198 G HA2 0.426 2.576 3.960 -3.017 0.000 0.253 198 G HA3 0.426 2.576 3.960 -3.017 0.000 0.253 198 G C 0.765 175.698 174.900 0.056 0.000 1.439 198 G CA 1.072 46.198 45.100 0.043 0.000 1.056 198 G HN 0.740 nan 8.290 nan 0.000 0.555 199 D N -0.720 119.709 120.400 0.048 0.000 2.106 199 D HA -0.101 2.729 4.640 -3.017 0.000 0.191 199 D C 2.512 178.852 176.300 0.066 0.000 0.997 199 D CA 2.380 56.411 54.000 0.052 0.000 0.834 199 D CB -0.655 40.171 40.800 0.043 0.000 0.956 199 D HN 0.361 nan 8.370 nan 0.000 0.448 200 G N -1.068 107.774 108.800 0.071 0.000 2.459 200 G HA2 -0.310 1.840 3.960 -3.017 0.000 0.217 200 G HA3 -0.310 1.840 3.960 -3.017 0.000 0.217 200 G C 1.723 176.708 174.900 0.142 0.000 1.183 200 G CA 1.752 46.910 45.100 0.095 0.000 0.776 200 G HN 0.342 nan 8.290 nan 0.000 0.552 201 T N 1.105 115.741 114.554 0.137 0.000 2.635 201 T HA -0.167 2.373 4.350 -3.017 0.000 0.267 201 T C 2.485 177.315 174.700 0.216 0.000 1.040 201 T CA 1.668 63.878 62.100 0.183 0.000 1.156 201 T CB -0.228 68.681 68.868 0.069 0.000 0.863 201 T HN 0.218 nan 8.240 nan 0.000 0.430 202 Q N 0.884 120.762 119.800 0.129 0.000 2.119 202 Q HA 0.056 2.586 4.340 -3.017 0.000 0.201 202 Q C 2.460 178.505 176.000 0.074 0.000 0.972 202 Q CA 1.118 56.978 55.803 0.096 0.000 0.847 202 Q CB -0.423 28.348 28.738 0.054 0.000 0.903 202 Q HN 0.541 nan 8.270 nan 0.000 0.433 203 R N 0.070 120.613 120.500 0.071 0.000 2.091 203 R HA -0.118 2.412 4.340 -3.017 0.000 0.238 203 R C 2.397 178.719 176.300 0.037 0.000 1.136 203 R CA 1.357 57.485 56.100 0.047 0.000 0.959 203 R CB -0.728 29.600 30.300 0.048 0.000 0.856 203 R HN 0.382 nan 8.270 nan 0.000 0.437 204 G N 0.696 109.544 108.800 0.080 0.000 2.442 204 G HA2 -0.284 1.866 3.960 -3.017 0.000 0.219 204 G HA3 -0.284 1.866 3.960 -3.017 0.000 0.219 204 G C 1.555 176.416 174.900 -0.065 0.000 1.141 204 G CA 0.833 45.923 45.100 -0.016 0.000 0.763 204 G HN 0.425 nan 8.290 nan 0.000 0.554 205 A N 0.750 123.613 122.820 0.072 0.000 1.865 205 A HA 0.008 2.518 4.320 -3.017 0.000 0.217 205 A C 2.448 180.024 177.584 -0.014 0.000 1.191 205 A CA 1.423 53.491 52.037 0.052 0.000 0.623 205 A CB -0.544 18.512 19.000 0.094 0.000 0.826 205 A HN 0.351 nan 8.150 nan 0.000 0.444 206 L N -0.514 120.700 121.223 -0.014 0.000 2.013 206 L HA -0.222 2.308 4.340 -3.017 0.000 0.212 206 L C 2.615 179.459 176.870 -0.044 0.000 1.073 206 L CA 1.566 56.388 54.840 -0.030 0.000 0.753 206 L CB -0.701 41.343 42.059 -0.024 0.000 0.890 206 L HN 0.288 nan 8.230 nan 0.000 0.432 207 V N 0.311 120.191 119.914 -0.056 0.000 2.252 207 V HA -0.349 1.961 4.120 -3.017 0.000 0.249 207 V C 2.322 178.363 176.094 -0.089 0.000 1.056 207 V CA 2.180 64.436 62.300 -0.074 0.000 1.022 207 V CB -0.367 31.400 31.823 -0.092 0.000 0.641 207 V HN 0.322 nan 8.190 nan 0.000 0.445 208 I N 0.050 120.549 120.570 -0.118 0.000 2.163 208 I HA -0.274 2.086 4.170 -3.017 0.000 0.243 208 I C 2.747 178.821 176.117 -0.072 0.000 1.085 208 I CA 1.949 63.178 61.300 -0.118 0.000 1.347 208 I CB -0.479 37.434 38.000 -0.144 0.000 1.044 208 I HN 0.382 nan 8.210 nan 0.000 0.408 209 S N 0.050 115.718 115.700 -0.053 0.000 2.370 209 S HA -0.302 2.358 4.470 -3.017 0.000 0.226 209 S C 2.069 176.647 174.600 -0.036 0.000 1.033 209 S CA 1.851 60.029 58.200 -0.037 0.000 1.011 209 S CB -0.238 62.943 63.200 -0.032 0.000 0.852 209 S HN 0.453 nan 8.310 nan 0.000 0.457 210 Q N 0.120 119.895 119.800 -0.040 0.000 2.050 210 Q HA -0.156 2.374 4.340 -3.017 0.000 0.202 210 Q C 2.152 178.131 176.000 -0.035 0.000 0.980 210 Q CA 1.883 57.664 55.803 -0.036 0.000 0.840 210 Q CB -0.264 28.452 28.738 -0.036 0.000 0.898 210 Q HN 0.641 nan 8.270 nan 0.000 0.424 211 E N 0.135 120.308 120.200 -0.044 0.000 2.118 211 E HA -0.177 2.363 4.350 -3.017 0.000 0.195 211 E C 1.565 178.145 176.600 -0.035 0.000 0.992 211 E CA 1.531 57.905 56.400 -0.043 0.000 0.804 211 E CB -0.297 29.368 29.700 -0.058 0.000 0.741 211 E HN 0.415 nan 8.360 nan 0.000 0.458 212 A N 0.581 123.381 122.820 -0.033 0.000 1.969 212 A HA -0.164 2.346 4.320 -3.017 0.000 0.218 212 A C 2.037 179.614 177.584 -0.010 0.000 1.169 212 A CA 1.620 53.645 52.037 -0.020 0.000 0.635 212 A CB -0.359 18.632 19.000 -0.016 0.000 0.810 212 A HN 0.219 nan 8.150 nan 0.000 0.445 213 K N -0.492 119.899 120.400 -0.014 0.000 2.025 213 K HA -0.081 2.429 4.320 -3.017 0.000 0.207 213 K C 2.164 178.758 176.600 -0.010 0.000 1.049 213 K CA 1.221 57.502 56.287 -0.010 0.000 0.933 213 K CB -0.227 32.263 32.500 -0.015 0.000 0.714 213 K HN 0.346 nan 8.250 nan 0.000 0.438 214 R N 0.769 121.260 120.500 -0.015 0.000 2.185 214 R HA -0.152 2.378 4.340 -3.017 0.000 0.247 214 R C 1.954 178.248 176.300 -0.010 0.000 1.159 214 R CA 1.346 57.438 56.100 -0.014 0.000 0.988 214 R CB -0.171 30.118 30.300 -0.018 0.000 0.871 214 R HN 0.233 nan 8.270 nan 0.000 0.458 215 R N -0.828 119.666 120.500 -0.009 0.000 2.312 215 R HA 0.108 2.638 4.340 -3.017 0.000 0.205 215 R C 0.888 177.190 176.300 0.003 0.000 0.904 215 R CA 0.517 56.614 56.100 -0.005 0.000 1.052 215 R CB 0.694 30.990 30.300 -0.007 0.000 1.014 215 R HN 0.286 nan 8.270 nan 0.000 0.503 216 G N 1.812 110.615 108.800 0.005 0.000 2.246 216 G HA2 -0.238 1.912 3.960 -3.017 0.000 0.273 216 G HA3 -0.238 1.912 3.960 -3.017 0.000 0.273 216 G C 0.034 174.949 174.900 0.024 0.000 1.055 216 G CA 0.125 45.232 45.100 0.013 0.000 0.851 216 G HN 0.126 nan 8.290 nan 0.000 0.500 217 V N -0.308 119.621 119.914 0.025 0.000 2.509 217 V HA 0.413 2.723 4.120 -3.017 0.000 0.284 217 V C 0.655 176.790 176.094 0.069 0.000 1.047 217 V CA -0.542 61.783 62.300 0.041 0.000 0.952 217 V CB 1.820 33.660 31.823 0.028 0.000 0.988 217 V HN 0.331 nan 8.190 nan 0.000 0.469 218 D N 4.643 125.109 120.400 0.110 0.000 2.508 218 D HA 0.339 3.169 4.640 -3.017 0.000 0.224 218 D C -0.482 175.983 176.300 0.275 0.000 1.171 218 D CA 0.277 54.390 54.000 0.189 0.000 1.006 218 D CB -0.353 40.585 40.800 0.230 0.000 1.073 218 D HN 0.472 nan 8.370 nan 0.000 0.513 219 I N 1.413 122.101 120.570 0.197 0.000 2.571 219 I HA 0.126 2.486 4.170 -3.017 0.000 0.289 219 I C -0.211 175.993 176.117 0.146 0.000 1.115 219 I CA -0.961 60.438 61.300 0.165 0.000 1.045 219 I CB 2.030 40.063 38.000 0.055 0.000 1.238 219 I HN 0.074 nan 8.210 nan 0.000 0.424 220 S N 5.545 121.358 115.700 0.189 0.000 2.513 220 S HA 0.583 3.243 4.470 -3.017 0.000 0.276 220 S C -0.637 173.953 174.600 -0.017 0.000 1.254 220 S CA -0.365 57.895 58.200 0.100 0.000 1.053 220 S CB 0.976 64.282 63.200 0.176 0.000 0.958 220 S HN 0.350 nan 8.310 nan 0.000 0.491 221 V N 6.358 126.272 119.914 0.001 0.000 2.350 221 V HA 0.495 2.805 4.120 -3.017 0.000 0.285 221 V C -0.807 175.307 176.094 0.033 0.000 1.014 221 V CA -0.650 61.647 62.300 -0.005 0.000 0.831 221 V CB 0.511 32.333 31.823 -0.002 0.000 1.000 221 V HN 0.859 nan 8.190 nan 0.000 0.433 222 F N 3.189 123.080 119.950 -0.098 0.000 2.482 222 F HA 0.813 3.530 4.527 -3.017 0.000 0.331 222 F C 0.651 176.539 175.800 0.146 0.000 1.115 222 F CA -0.531 57.477 58.000 0.012 0.000 0.955 222 F CB 1.829 40.818 39.000 -0.019 0.000 1.136 222 F HN 0.528 nan 8.300 nan 0.000 0.452 223 G N 4.399 113.222 108.800 0.039 0.000 2.332 223 G HA2 0.524 2.674 3.960 -3.017 0.000 0.310 223 G HA3 0.524 2.674 3.960 -3.017 0.000 0.310 223 G C -1.633 173.441 174.900 0.290 0.000 1.123 223 G CA -0.566 44.634 45.100 0.167 0.000 0.873 223 G HN 0.522 nan 8.290 nan 0.000 0.460 224 V N 4.929 125.032 119.914 0.316 0.000 2.318 224 V HA 0.252 2.562 4.120 -3.017 0.000 0.271 224 V C -2.014 174.239 176.094 0.265 0.000 1.030 224 V CA -1.652 60.819 62.300 0.284 0.000 0.844 224 V CB 1.495 33.450 31.823 0.219 0.000 1.015 224 V HN 0.578 nan 8.190 nan 0.000 0.460 225 P HA 0.169 nan 4.420 nan 0.000 0.271 225 P C -0.594 176.760 177.300 0.090 0.000 1.220 225 P CA -0.122 63.060 63.100 0.137 0.000 0.768 225 P CB 0.462 32.220 31.700 0.097 0.000 0.848 226 K N 2.447 122.849 120.400 0.004 0.000 2.507 226 K HA 0.480 2.990 4.320 -3.017 0.000 0.253 226 K C -1.313 175.193 176.600 -0.156 0.000 0.969 226 K CA -0.296 55.874 56.287 -0.195 0.000 0.908 226 K CB 0.767 33.278 32.500 0.019 0.000 1.127 226 K HN 0.388 nan 8.250 nan 0.000 0.437 227 T N 4.589 119.008 114.554 -0.226 0.000 3.355 227 T HA 0.208 2.748 4.350 -3.017 0.000 0.324 227 T C 0.625 175.275 174.700 -0.083 0.000 0.932 227 T CA -0.688 61.353 62.100 -0.099 0.000 1.032 227 T CB 0.665 69.508 68.868 -0.042 0.000 1.027 227 T HN 0.690 nan 8.240 nan 0.000 0.456 228 I N 2.914 123.469 120.570 -0.025 0.000 2.756 228 I HA -0.016 2.344 4.170 -3.017 0.000 0.262 228 I C 0.944 177.169 176.117 0.181 0.000 1.225 228 I CA 1.205 62.540 61.300 0.058 0.000 1.472 228 I CB 0.291 38.331 38.000 0.067 0.000 1.094 228 I HN 0.624 nan 8.210 nan 0.000 0.454 229 D N 0.889 121.363 120.400 0.123 0.000 2.347 229 D HA -0.109 2.721 4.640 -3.017 0.000 0.215 229 D C 0.832 177.191 176.300 0.099 0.000 0.976 229 D CA 0.463 54.569 54.000 0.176 0.000 0.884 229 D CB -0.322 40.553 40.800 0.125 0.000 0.915 229 D HN 0.389 nan 8.370 nan 0.000 0.526 230 N N 0.934 119.577 118.700 -0.094 0.000 2.754 230 N HA -0.180 2.750 4.740 -3.017 0.000 0.248 230 N C -0.612 174.752 175.510 -0.244 0.000 1.093 230 N CA 0.530 53.337 53.050 -0.406 0.000 0.699 230 N CB -0.338 37.382 38.487 -1.279 0.000 1.016 230 N HN 0.219 nan 8.380 nan 0.000 0.552 231 D N -0.292 120.105 120.400 -0.005 0.000 2.402 231 D HA 0.069 2.899 4.640 -3.017 0.000 0.216 231 D C 0.537 176.873 176.300 0.060 0.000 1.128 231 D CA -0.345 53.729 54.000 0.123 0.000 0.833 231 D CB -0.050 40.859 40.800 0.181 0.000 0.971 231 D HN 0.314 nan 8.370 nan 0.000 0.503 232 L N 2.250 123.472 121.223 -0.001 0.000 2.410 232 L HA 0.233 2.763 4.340 -3.017 0.000 0.273 232 L C 0.417 177.312 176.870 0.042 0.000 1.152 232 L CA -0.231 54.626 54.840 0.027 0.000 0.855 232 L CB 0.911 42.979 42.059 0.014 0.000 1.129 232 L HN 0.117 nan 8.230 nan 0.000 0.463 233 S N 3.451 119.217 115.700 0.111 0.000 2.614 233 S HA 0.390 3.050 4.470 -3.017 0.000 0.265 233 S C 0.329 175.085 174.600 0.260 0.000 1.303 233 S CA -0.177 58.113 58.200 0.150 0.000 1.000 233 S CB 0.031 63.379 63.200 0.247 0.000 0.935 233 S HN 0.629 nan 8.310 nan 0.000 0.551 234 F N -1.014 118.941 119.950 0.009 0.000 3.100 234 F HA -0.149 2.568 4.527 -3.017 0.000 0.283 234 F C 0.682 176.392 175.800 -0.151 0.000 0.900 234 F CA 1.095 59.087 58.000 -0.014 0.000 1.010 234 F CB -1.904 37.117 39.000 0.034 0.000 1.029 234 F HN 0.771 nan 8.300 nan 0.000 0.637 235 S N -1.876 113.741 115.700 -0.139 0.000 2.543 235 S HA 0.532 3.192 4.470 -3.017 0.000 0.271 235 S C 0.074 174.504 174.600 -0.284 0.000 1.148 235 S CA -0.604 57.480 58.200 -0.193 0.000 0.914 235 S CB 0.927 64.099 63.200 -0.048 0.000 1.096 235 S HN 0.311 nan 8.310 nan 0.000 0.471 236 H N 1.924 120.870 119.070 -0.206 0.000 2.705 236 H HA 0.414 3.160 4.556 -3.017 0.000 0.269 236 H C 0.702 175.840 175.328 -0.317 0.000 0.998 236 H CA -0.170 55.705 56.048 -0.289 0.000 1.193 236 H CB 0.627 30.222 29.762 -0.279 0.000 1.485 236 H HN 0.388 nan 8.280 nan 0.000 0.521 237 R N 1.413 121.832 120.500 -0.134 0.000 2.572 237 R HA 0.148 2.678 4.340 -3.017 0.000 0.273 237 R C -1.539 174.776 176.300 0.024 0.000 1.168 237 R CA -0.387 55.607 56.100 -0.177 0.000 1.021 237 R CB 1.209 31.339 30.300 -0.284 0.000 1.249 237 R HN 0.154 nan 8.270 nan 0.000 0.423 238 T N 1.260 115.824 114.554 0.016 0.000 2.918 238 T HA 0.507 3.047 4.350 -3.017 0.000 0.286 238 T C 0.307 175.196 174.700 0.314 0.000 1.026 238 T CA -0.835 61.382 62.100 0.194 0.000 1.031 238 T CB 0.851 69.705 68.868 -0.023 0.000 1.046 238 T HN 0.381 nan 8.240 nan 0.000 0.479 239 F N 0.598 120.844 119.950 0.493 0.000 2.545 239 F HA 0.521 3.238 4.527 -3.016 0.000 0.348 239 F C 1.380 177.341 175.800 0.269 0.000 1.163 239 F CA 0.394 58.668 58.000 0.456 0.000 1.331 239 F CB -0.360 38.850 39.000 0.351 0.000 1.138 239 F HN 1.055 nan 8.300 nan 0.000 0.602 240 G N 2.934 111.997 108.800 0.440 0.000 2.317 240 G HA2 -0.398 1.752 3.960 -3.017 0.000 0.227 240 G HA3 -0.398 1.752 3.960 -3.017 0.000 0.227 240 G C 0.702 175.699 174.900 0.163 0.000 1.042 240 G CA 0.382 45.635 45.100 0.256 0.000 0.623 240 G HN 0.925 nan 8.290 nan 0.000 0.509 241 F N 1.743 121.708 119.950 0.024 0.000 2.102 241 F HA 0.013 2.730 4.527 -3.017 0.000 0.298 241 F C 2.837 178.634 175.800 -0.004 0.000 1.105 241 F CA 2.663 60.659 58.000 -0.007 0.000 1.239 241 F CB -0.132 38.843 39.000 -0.041 0.000 0.991 241 F HN 0.323 nan 8.300 nan 0.000 0.474 242 Q N -0.462 119.251 119.800 -0.144 0.000 2.170 242 Q HA -0.158 2.372 4.340 -3.017 0.000 0.203 242 Q C 2.061 177.942 176.000 -0.198 0.000 0.976 242 Q CA 1.968 57.617 55.803 -0.256 0.000 0.858 242 Q CB -0.385 28.300 28.738 -0.089 0.000 0.907 242 Q HN 0.409 nan 8.270 nan 0.000 0.433 243 T N 0.857 115.359 114.554 -0.087 0.000 2.777 243 T HA -0.119 2.421 4.350 -3.017 0.000 0.266 243 T C 1.937 176.585 174.700 -0.086 0.000 1.040 243 T CA 1.106 63.176 62.100 -0.050 0.000 1.141 243 T CB -0.244 68.636 68.868 0.021 0.000 0.868 243 T HN 0.390 nan 8.240 nan 0.000 0.444 244 A N 1.189 123.942 122.820 -0.111 0.000 1.883 244 A HA -0.097 2.413 4.320 -3.017 0.000 0.217 244 A C 2.574 180.054 177.584 -0.172 0.000 1.186 244 A CA 1.619 53.589 52.037 -0.113 0.000 0.624 244 A CB -1.121 17.826 19.000 -0.087 0.000 0.822 244 A HN 0.362 nan 8.150 nan 0.000 0.444 245 V N 0.259 119.985 119.914 -0.313 0.000 2.343 245 V HA -0.239 2.071 4.120 -3.017 0.000 0.247 245 V C 2.573 178.571 176.094 -0.160 0.000 1.051 245 V CA 2.123 64.257 62.300 -0.276 0.000 1.036 245 V CB -0.817 30.762 31.823 -0.406 0.000 0.654 245 V HN 0.509 nan 8.190 nan 0.000 0.451 246 E N 0.256 120.373 120.200 -0.138 0.000 2.049 246 E HA -0.215 2.325 4.350 -3.017 0.000 0.198 246 E C 2.308 178.867 176.600 -0.068 0.000 1.007 246 E CA 1.244 57.592 56.400 -0.087 0.000 0.809 246 E CB -0.342 29.317 29.700 -0.067 0.000 0.749 246 E HN 0.443 nan 8.360 nan 0.000 0.450 247 K N 0.485 120.847 120.400 -0.063 0.000 2.001 247 K HA -0.008 2.502 4.320 -3.017 0.000 0.208 247 K C 2.152 178.724 176.600 -0.047 0.000 1.048 247 K CA 1.080 57.340 56.287 -0.045 0.000 0.932 247 K CB -0.701 31.780 32.500 -0.031 0.000 0.715 247 K HN 0.110 nan 8.250 nan 0.000 0.437 248 A N 1.244 124.029 122.820 -0.058 0.000 1.903 248 A HA -0.191 2.319 4.320 -3.017 0.000 0.219 248 A C 2.527 180.082 177.584 -0.048 0.000 1.191 248 A CA 2.195 54.200 52.037 -0.052 0.000 0.638 248 A CB -0.939 18.027 19.000 -0.057 0.000 0.823 248 A HN 0.088 nan 8.150 nan 0.000 0.451 249 V N 0.148 120.028 119.914 -0.056 0.000 2.392 249 V HA -0.340 1.970 4.120 -3.017 0.000 0.249 249 V C 2.762 178.832 176.094 -0.040 0.000 1.059 249 V CA 2.448 64.717 62.300 -0.051 0.000 1.051 249 V CB -0.774 31.013 31.823 -0.060 0.000 0.658 249 V HN 0.837 nan 8.190 nan 0.000 0.455 250 Q N -0.088 119.689 119.800 -0.037 0.000 2.084 250 Q HA -0.199 2.331 4.340 -3.017 0.000 0.202 250 Q C 2.243 178.231 176.000 -0.020 0.000 0.978 250 Q CA 1.889 57.676 55.803 -0.027 0.000 0.844 250 Q CB -0.270 28.453 28.738 -0.026 0.000 0.898 250 Q HN 0.616 nan 8.270 nan 0.000 0.426 251 A N 1.030 123.834 122.820 -0.028 0.000 1.908 251 A HA -0.181 2.329 4.320 -3.017 0.000 0.218 251 A C 2.011 179.587 177.584 -0.014 0.000 1.181 251 A CA 1.488 53.508 52.037 -0.030 0.000 0.627 251 A CB -0.706 18.267 19.000 -0.045 0.000 0.818 251 A HN 0.501 nan 8.150 nan 0.000 0.445 252 I N -0.822 119.740 120.570 -0.012 0.000 2.286 252 I HA -0.265 2.095 4.170 -3.017 0.000 0.248 252 I C 2.708 178.852 176.117 0.045 0.000 1.115 252 I CA 1.210 62.515 61.300 0.008 0.000 1.392 252 I CB -0.309 37.684 38.000 -0.011 0.000 1.065 252 I HN 0.294 nan 8.210 nan 0.000 0.418 253 R N 0.712 121.227 120.500 0.025 0.000 2.120 253 R HA -0.120 2.410 4.340 -3.017 0.000 0.234 253 R C 2.412 178.776 176.300 0.108 0.000 1.123 253 R CA 1.393 57.528 56.100 0.058 0.000 0.975 253 R CB -0.457 29.851 30.300 0.012 0.000 0.866 253 R HN 0.374 nan 8.270 nan 0.000 0.446 254 A N 1.552 124.405 122.820 0.055 0.000 1.855 254 A HA -0.076 2.434 4.320 -3.017 0.000 0.215 254 A C 2.438 180.049 177.584 0.045 0.000 1.191 254 A CA 1.576 53.637 52.037 0.039 0.000 0.613 254 A CB -0.666 18.338 19.000 0.007 0.000 0.829 254 A HN 0.358 nan 8.150 nan 0.000 0.442 255 A N -1.519 121.328 122.820 0.044 0.000 1.940 255 A HA -0.178 2.332 4.320 -3.017 0.000 0.219 255 A C 2.158 179.778 177.584 0.061 0.000 1.176 255 A CA 1.815 53.877 52.037 0.042 0.000 0.631 255 A CB -0.853 18.171 19.000 0.040 0.000 0.814 255 A HN 0.787 nan 8.150 nan 0.000 0.446 256 Y N 0.403 120.697 120.300 -0.010 0.000 2.163 256 Y HA -0.044 2.700 4.550 -3.010 0.000 0.288 256 Y C 2.640 178.538 175.900 -0.004 0.000 1.136 256 Y CA 1.341 59.437 58.100 -0.006 0.000 1.147 256 Y CB -0.452 38.001 38.460 -0.012 0.000 0.987 256 Y HN 0.314 nan 8.280 nan 0.000 0.509 257 A N 0.108 122.963 122.820 0.059 0.000 1.908 257 A HA -0.266 2.244 4.320 -3.017 0.000 0.218 257 A C 2.060 179.582 177.584 -0.103 0.000 1.181 257 A CA 2.102 54.122 52.037 -0.028 0.000 0.627 257 A CB -0.859 18.170 19.000 0.048 0.000 0.818 257 A HN 0.578 nan 8.150 nan 0.000 0.445 258 E N -0.336 119.826 120.200 -0.063 0.000 2.072 258 E HA -0.023 2.517 4.350 -3.017 0.000 0.191 258 E C 2.118 178.667 176.600 -0.084 0.000 0.985 258 E CA 1.297 57.665 56.400 -0.054 0.000 0.801 258 E CB -0.335 29.354 29.700 -0.017 0.000 0.750 258 E HN 0.535 nan 8.360 nan 0.000 0.452 259 A N -0.160 122.586 122.820 -0.124 0.000 1.898 259 A HA -0.116 2.394 4.320 -3.017 0.000 0.216 259 A C 2.363 179.835 177.584 -0.188 0.000 1.181 259 A CA 1.374 53.337 52.037 -0.122 0.000 0.620 259 A CB -0.546 18.386 19.000 -0.114 0.000 0.819 259 A HN 0.191 nan 8.150 nan 0.000 0.442 260 V N 0.158 119.874 119.914 -0.332 0.000 2.759 260 V HA -0.131 2.179 4.120 -3.017 0.000 0.256 260 V C 2.185 178.171 176.094 -0.180 0.000 1.080 260 V CA 1.999 64.109 62.300 -0.316 0.000 1.101 260 V CB -0.347 31.195 31.823 -0.468 0.000 0.698 260 V HN 0.518 nan 8.190 nan 0.000 0.477 261 S N -0.320 115.295 115.700 -0.141 0.000 2.593 261 S HA 0.470 3.130 4.470 -3.017 0.000 0.217 261 S C 0.613 175.167 174.600 -0.078 0.000 0.966 261 S CA 0.576 58.721 58.200 -0.091 0.000 0.914 261 S CB 0.121 63.281 63.200 -0.065 0.000 0.776 261 S HN 0.569 nan 8.310 nan 0.000 0.523 262 A N 1.627 124.392 122.820 -0.091 0.000 2.422 262 A HA 0.500 3.010 4.320 -3.017 0.000 0.302 262 A C -0.429 177.078 177.584 -0.128 0.000 1.041 262 A CA -0.739 51.252 52.037 -0.076 0.000 0.708 262 A CB 0.723 19.701 19.000 -0.037 0.000 1.257 262 A HN 0.301 nan 8.150 nan 0.000 0.414 263 N N 1.423 120.037 118.700 -0.143 0.000 2.440 263 N HA 0.172 3.102 4.740 -3.017 0.000 0.265 263 N C -0.928 174.427 175.510 -0.259 0.000 1.239 263 N CA 0.189 53.072 53.050 -0.279 0.000 0.909 263 N CB -0.064 38.319 38.487 -0.174 0.000 1.066 263 N HN 0.573 nan 8.380 nan 0.000 0.474 264 Y N -0.681 119.429 120.300 -0.317 0.000 3.027 264 Y HA -0.207 4.516 4.550 0.288 0.000 0.195 264 Y C 0.816 176.638 175.900 -0.129 0.000 1.381 264 Y CA 0.590 58.319 58.100 -0.619 0.000 1.015 264 Y CB -1.879 36.088 38.460 -0.822 0.000 1.329 264 Y HN 0.548 nan 8.280 nan 0.000 0.462 265 G N -0.069 108.766 108.800 0.058 0.000 2.348 265 G HA2 0.594 2.744 3.960 -3.017 0.000 0.312 265 G HA3 0.594 2.744 3.960 -3.017 0.000 0.312 265 G C -0.824 174.193 174.900 0.196 0.000 1.126 265 G CA -0.587 44.575 45.100 0.104 0.000 0.865 265 G HN 0.219 nan 8.290 nan 0.000 0.474 266 V N 1.571 121.578 119.914 0.154 0.000 2.444 266 V HA 0.696 3.006 4.120 -3.017 0.000 0.294 266 V C 0.645 176.775 176.094 0.060 0.000 1.022 266 V CA -0.654 61.703 62.300 0.096 0.000 0.850 266 V CB 1.677 33.548 31.823 0.081 0.000 0.992 266 V HN 0.930 nan 8.190 nan 0.000 0.426 267 G N 3.534 112.357 108.800 0.038 0.000 2.347 267 G HA2 0.569 2.719 3.960 -3.017 0.000 0.314 267 G HA3 0.569 2.719 3.960 -3.017 0.000 0.314 267 G C -0.866 174.067 174.900 0.055 0.000 1.126 267 G CA -0.347 44.781 45.100 0.046 0.000 0.929 267 G HN 0.531 nan 8.290 nan 0.000 0.441 268 V N 3.206 123.181 119.914 0.102 0.000 2.370 268 V HA 0.539 2.849 4.120 -3.017 0.000 0.283 268 V C -0.200 176.006 176.094 0.188 0.000 1.023 268 V CA -0.790 61.593 62.300 0.137 0.000 0.857 268 V CB 1.404 33.330 31.823 0.172 0.000 0.985 268 V HN 0.567 nan 8.190 nan 0.000 0.443 269 V N 5.950 125.925 119.914 0.102 0.000 2.531 269 V HA 0.588 2.898 4.120 -3.017 0.000 0.301 269 V C -0.340 175.790 176.094 0.061 0.000 1.034 269 V CA -0.726 61.599 62.300 0.041 0.000 0.865 269 V CB 1.741 33.554 31.823 -0.017 0.000 0.995 269 V HN 0.926 nan 8.190 nan 0.000 0.424 270 K N 6.178 126.626 120.400 0.080 0.000 2.201 270 K HA 0.594 3.104 4.320 -3.017 0.000 0.278 270 K C -1.335 175.266 176.600 0.003 0.000 1.027 270 K CA -0.590 55.743 56.287 0.076 0.000 0.909 270 K CB 1.160 33.761 32.500 0.169 0.000 1.062 270 K HN 0.593 nan 8.250 nan 0.000 0.465 271 L N 3.600 124.824 121.223 0.001 0.000 2.260 271 L HA 0.334 2.864 4.340 -3.017 0.000 0.265 271 L C 1.376 178.249 176.870 0.006 0.000 1.015 271 L CA -0.697 54.141 54.840 -0.004 0.000 0.826 271 L CB 1.091 43.151 42.059 0.003 0.000 1.373 271 L HN 0.807 nan 8.230 nan 0.000 0.450 272 M N 0.018 119.630 119.600 0.019 0.000 2.374 272 M HA 0.018 2.688 4.480 -3.017 0.000 0.264 272 M C 0.961 177.281 176.300 0.034 0.000 1.067 272 M CA 0.426 55.741 55.300 0.026 0.000 1.103 272 M CB -0.832 31.796 32.600 0.047 0.000 1.402 272 M HN 0.717 nan 8.290 nan 0.000 0.444 273 G N 1.157 109.982 108.800 0.043 0.000 2.369 273 G HA2 0.002 2.152 3.960 -3.017 0.000 0.287 273 G HA3 0.002 2.152 3.960 -3.017 0.000 0.287 273 G C 0.962 175.868 174.900 0.011 0.000 1.009 273 G CA 0.039 45.161 45.100 0.037 0.000 1.393 273 G HN 0.435 nan 8.290 nan 0.000 0.432 274 R N 1.663 122.169 120.500 0.010 0.000 2.066 274 R HA -0.038 2.492 4.340 -3.017 0.000 0.232 274 R C 0.938 177.226 176.300 -0.019 0.000 1.131 274 R CA 1.659 57.752 56.100 -0.013 0.000 0.955 274 R CB 0.215 30.503 30.300 -0.020 0.000 0.851 274 R HN 0.483 nan 8.270 nan 0.000 0.432 275 D N -1.011 119.386 120.400 -0.006 0.000 2.500 275 D HA 0.103 2.933 4.640 -3.017 0.000 0.217 275 D C -0.451 175.837 176.300 -0.020 0.000 1.159 275 D CA 0.304 54.311 54.000 0.013 0.000 0.828 275 D CB 1.213 42.052 40.800 0.064 0.000 1.039 275 D HN 0.224 nan 8.370 nan 0.000 0.512 276 S N -1.711 113.956 115.700 -0.054 0.000 2.625 276 S HA 0.605 3.265 4.470 -3.017 0.000 0.271 276 S C 0.325 174.812 174.600 -0.189 0.000 1.161 276 S CA -0.694 57.398 58.200 -0.180 0.000 0.820 276 S CB 1.896 64.987 63.200 -0.181 0.000 1.137 276 S HN -0.096 nan 8.310 nan 0.000 0.470 277 G N -0.307 108.276 108.800 -0.361 0.000 3.993 277 G HA2 0.406 2.556 3.960 -3.017 0.000 0.294 277 G HA3 0.406 2.556 3.960 -3.017 0.000 0.294 277 G C 0.092 174.930 174.900 -0.103 0.000 1.043 277 G CA -0.485 44.505 45.100 -0.184 0.000 0.839 277 G HN 0.483 nan 8.290 nan 0.000 0.516 278 F N 1.017 121.029 119.950 0.104 0.000 2.095 278 F HA -0.011 2.706 4.527 -3.016 0.000 0.298 278 F C 2.494 178.481 175.800 0.311 0.000 1.104 278 F CA 1.053 59.158 58.000 0.175 0.000 1.232 278 F CB -0.319 38.712 39.000 0.052 0.000 0.987 278 F HN 0.167 nan 8.300 nan 0.000 0.475 279 I N -0.317 120.549 120.570 0.492 0.000 2.202 279 I HA -0.284 2.076 4.170 -3.017 0.000 0.242 279 I C 2.663 178.872 176.117 0.152 0.000 1.091 279 I CA 1.142 62.623 61.300 0.302 0.000 1.368 279 I CB -0.854 37.269 38.000 0.206 0.000 1.058 279 I HN 0.108 nan 8.210 nan 0.000 0.410 280 A N 0.930 123.827 122.820 0.127 0.000 1.883 280 A HA -0.241 2.269 4.320 -3.017 0.000 0.217 280 A C 2.536 180.183 177.584 0.105 0.000 1.186 280 A CA 2.245 54.331 52.037 0.081 0.000 0.624 280 A CB -0.944 18.093 19.000 0.061 0.000 0.822 280 A HN 0.452 nan 8.150 nan 0.000 0.444 281 A N -1.052 121.871 122.820 0.172 0.000 1.873 281 A HA -0.188 2.322 4.320 -3.017 0.000 0.215 281 A C 2.164 179.826 177.584 0.131 0.000 1.186 281 A CA 1.585 53.740 52.037 0.196 0.000 0.616 281 A CB -0.612 18.574 19.000 0.310 0.000 0.823 281 A HN 0.636 nan 8.150 nan 0.000 0.442 282 Q N -0.698 119.205 119.800 0.171 0.000 2.050 282 Q HA -0.152 2.378 4.340 -3.017 0.000 0.202 282 Q C 2.455 178.471 176.000 0.026 0.000 0.980 282 Q CA 1.462 57.333 55.803 0.113 0.000 0.840 282 Q CB -0.392 28.437 28.738 0.150 0.000 0.898 282 Q HN 0.676 nan 8.270 nan 0.000 0.424 283 A N 1.174 124.000 122.820 0.010 0.000 1.933 283 A HA -0.108 2.401 4.320 -3.017 0.000 0.218 283 A C 2.319 179.887 177.584 -0.027 0.000 1.175 283 A CA 1.567 53.588 52.037 -0.026 0.000 0.628 283 A CB -0.659 18.323 19.000 -0.030 0.000 0.814 283 A HN 0.398 nan 8.150 nan 0.000 0.444 284 A N -0.573 122.238 122.820 -0.014 0.000 1.877 284 A HA -0.023 2.487 4.320 -3.017 0.000 0.216 284 A C 2.248 179.798 177.584 -0.058 0.000 1.186 284 A CA 1.948 53.960 52.037 -0.041 0.000 0.620 284 A CB -0.887 18.082 19.000 -0.052 0.000 0.822 284 A HN 0.388 nan 8.150 nan 0.000 0.443 285 V N -0.346 119.539 119.914 -0.048 0.000 2.323 285 V HA -0.152 2.158 4.120 -3.017 0.000 0.244 285 V C 3.062 179.126 176.094 -0.051 0.000 1.041 285 V CA 1.683 63.950 62.300 -0.056 0.000 1.025 285 V CB -1.269 30.529 31.823 -0.042 0.000 0.656 285 V HN 0.608 nan 8.190 nan 0.000 0.451 286 A N 0.847 123.642 122.820 -0.042 0.000 1.917 286 A HA -0.273 2.237 4.320 -3.017 0.000 0.219 286 A C 2.527 180.073 177.584 -0.063 0.000 1.182 286 A CA 2.676 54.684 52.037 -0.049 0.000 0.633 286 A CB -0.797 18.172 19.000 -0.051 0.000 0.819 286 A HN 0.699 nan 8.150 nan 0.000 0.448 287 S N -1.692 113.967 115.700 -0.069 0.000 2.461 287 S HA 0.311 2.971 4.470 -3.017 0.000 0.228 287 S C 1.373 175.906 174.600 -0.112 0.000 1.005 287 S CA 1.245 59.392 58.200 -0.088 0.000 0.942 287 S CB -0.358 62.793 63.200 -0.081 0.000 0.776 287 S HN 2.104 nan 8.310 nan 0.000 0.514 288 A N -0.024 122.738 122.820 -0.097 0.000 2.910 288 A HA -0.281 2.229 4.320 -3.017 0.000 0.267 288 A C 1.296 178.804 177.584 -0.125 0.000 1.310 288 A CA 1.635 53.610 52.037 -0.103 0.000 0.934 288 A CB -2.408 16.529 19.000 -0.106 0.000 1.057 288 A HN 0.695 nan 8.150 nan 0.000 0.742 289 Q N -1.455 118.269 119.800 -0.126 0.000 2.246 289 Q HA 0.499 3.029 4.340 -3.017 0.000 0.222 289 Q C 0.755 176.745 176.000 -0.017 0.000 0.851 289 Q CA 0.483 56.206 55.803 -0.133 0.000 0.945 289 Q CB 0.760 29.352 28.738 -0.244 0.000 1.122 289 Q HN 1.105 nan 8.270 nan 0.000 0.508 290 A N 0.988 123.788 122.820 -0.034 0.000 2.401 290 A HA 0.211 2.721 4.320 -3.017 0.000 0.259 290 A C 0.327 177.894 177.584 -0.028 0.000 1.103 290 A CA -0.381 51.642 52.037 -0.024 0.000 0.789 290 A CB 0.314 19.285 19.000 -0.049 0.000 1.035 290 A HN 0.210 nan 8.150 nan 0.000 0.491 291 N N 0.834 119.521 118.700 -0.020 0.000 2.415 291 N HA 0.175 3.105 4.740 -3.017 0.000 0.174 291 N C -0.241 175.231 175.510 -0.064 0.000 1.048 291 N CA 0.863 53.895 53.050 -0.031 0.000 0.895 291 N CB 0.382 38.853 38.487 -0.026 0.000 1.036 291 N HN 0.665 nan 8.380 nan 0.000 0.449 292 I N 0.315 120.839 120.570 -0.077 0.000 2.569 292 I HA 0.239 2.599 4.170 -3.017 0.000 0.290 292 I C -1.032 175.028 176.117 -0.096 0.000 1.088 292 I CA -0.732 60.513 61.300 -0.092 0.000 1.047 292 I CB 2.931 40.867 38.000 -0.108 0.000 1.237 292 I HN -0.123 nan 8.210 nan 0.000 0.421 293 C N 7.942 127.190 119.300 -0.085 0.000 2.356 293 C HA 0.604 3.254 4.460 -3.017 0.000 0.324 293 C C -0.942 174.045 174.990 -0.006 0.000 1.167 293 C CA -0.423 58.568 59.018 -0.046 0.000 1.420 293 C CB 0.065 27.778 27.740 -0.044 0.000 2.036 293 C HN 0.547 nan 8.230 nan 0.000 0.435 294 L N 7.505 128.601 121.223 -0.212 0.000 2.262 294 L HA 0.617 3.147 4.340 -3.017 0.000 0.288 294 L C 0.367 177.047 176.870 -0.317 0.000 1.035 294 L CA 0.132 54.643 54.840 -0.548 0.000 0.820 294 L CB 1.146 42.417 42.059 -1.312 0.000 1.204 294 L HN 0.656 nan 8.230 nan 0.000 0.424 295 V N 2.504 122.347 119.914 -0.117 0.000 3.046 295 V HA 0.670 2.980 4.120 -3.017 0.000 0.316 295 V C -2.248 173.886 176.094 0.066 0.000 1.104 295 V CA -1.726 60.544 62.300 -0.050 0.000 1.006 295 V CB 1.863 33.581 31.823 -0.176 0.000 1.058 295 V HN 0.449 nan 8.190 nan 0.000 0.440 296 P HA 0.018 nan 4.420 nan 0.000 0.221 296 P C 1.136 178.385 177.300 -0.085 0.000 1.150 296 P CA 1.040 64.131 63.100 -0.014 0.000 0.800 296 P CB 0.245 31.918 31.700 -0.046 0.000 0.787 297 E N -0.774 119.316 120.200 -0.184 0.000 2.265 297 E HA -0.109 2.431 4.350 -3.017 0.000 0.196 297 E C 0.889 177.356 176.600 -0.222 0.000 0.996 297 E CA 0.776 57.031 56.400 -0.242 0.000 0.832 297 E CB -0.590 28.875 29.700 -0.391 0.000 0.756 297 E HN 0.281 nan 8.360 nan 0.000 0.491 298 N N 0.290 118.883 118.700 -0.177 0.000 2.765 298 N HA 0.151 3.080 4.740 -3.017 0.000 0.277 298 N C -2.792 172.776 175.510 0.098 0.000 1.750 298 N CA -1.714 51.277 53.050 -0.098 0.000 0.827 298 N CB 0.655 39.019 38.487 -0.206 0.000 1.200 298 N HN -0.165 nan 8.380 nan 0.000 0.494 299 P HA 0.137 nan 4.420 nan 0.000 0.265 299 P C -0.323 177.071 177.300 0.157 0.000 1.222 299 P CA 0.229 63.359 63.100 0.049 0.000 0.767 299 P CB 0.330 32.003 31.700 -0.045 0.000 0.801 300 I N -0.477 120.296 120.570 0.337 0.000 3.108 300 I HA 0.694 3.054 4.170 -3.017 0.000 0.312 300 I C -0.057 176.340 176.117 0.466 0.000 1.095 300 I CA -1.309 60.192 61.300 0.334 0.000 1.000 300 I CB 2.303 40.492 38.000 0.315 0.000 1.229 300 I HN 0.175 nan 8.210 nan 0.000 0.454 301 S N 0.460 116.314 115.700 0.256 0.000 2.652 301 S HA 0.202 2.862 4.470 -3.017 0.000 0.270 301 S C 0.857 175.431 174.600 -0.044 0.000 1.243 301 S CA -0.113 58.110 58.200 0.038 0.000 0.999 301 S CB 1.619 64.770 63.200 -0.082 0.000 0.973 301 S HN 0.927 nan 8.310 nan 0.000 0.544 302 E N 0.770 120.552 120.200 -0.697 0.000 2.130 302 E HA -0.316 2.224 4.350 -3.017 0.000 0.196 302 E C 1.572 178.034 176.600 -0.229 0.000 0.998 302 E CA 1.687 57.682 56.400 -0.675 0.000 0.806 302 E CB -0.271 28.882 29.700 -0.912 0.000 0.738 302 E HN 0.761 nan 8.360 nan 0.000 0.459 303 Q N 0.536 120.222 119.800 -0.190 0.000 2.119 303 Q HA -0.117 2.413 4.340 -3.017 0.000 0.201 303 Q C 1.921 177.880 176.000 -0.068 0.000 0.972 303 Q CA 1.741 57.478 55.803 -0.110 0.000 0.847 303 Q CB 0.026 28.717 28.738 -0.078 0.000 0.903 303 Q HN 0.440 nan 8.270 nan 0.000 0.433 304 E N -0.197 119.994 120.200 -0.016 0.000 2.046 304 E HA -0.118 2.422 4.350 -3.017 0.000 0.190 304 E C 2.050 178.654 176.600 0.008 0.000 0.982 304 E CA 1.258 57.670 56.400 0.020 0.000 0.800 304 E CB -0.044 29.702 29.700 0.076 0.000 0.756 304 E HN 0.127 nan 8.360 nan 0.000 0.449 305 V N 1.703 121.651 119.914 0.057 0.000 2.255 305 V HA -0.305 2.005 4.120 -3.017 0.000 0.247 305 V C 2.385 178.395 176.094 -0.140 0.000 1.051 305 V CA 1.619 63.935 62.300 0.026 0.000 1.018 305 V CB -0.429 31.506 31.823 0.187 0.000 0.641 305 V HN 0.315 nan 8.190 nan 0.000 0.445 306 M N -0.047 119.406 119.600 -0.244 0.000 2.149 306 M HA -0.152 2.518 4.480 -3.017 0.000 0.261 306 M C 2.465 178.489 176.300 -0.459 0.000 1.064 306 M CA 2.096 57.034 55.300 -0.603 0.000 1.102 306 M CB -1.739 30.366 32.600 -0.826 0.000 1.369 306 M HN 0.500 nan 8.290 nan 0.000 0.408 307 S N 0.281 115.854 115.700 -0.211 0.000 2.368 307 S HA -0.036 2.624 4.470 -3.017 0.000 0.224 307 S C 2.011 176.570 174.600 -0.068 0.000 1.029 307 S CA 0.770 58.917 58.200 -0.088 0.000 0.988 307 S CB -0.104 63.079 63.200 -0.028 0.000 0.838 307 S HN 0.465 nan 8.310 nan 0.000 0.462 308 L N 0.972 122.148 121.223 -0.078 0.000 2.079 308 L HA -0.092 2.438 4.340 -3.017 0.000 0.210 308 L C 2.505 179.297 176.870 -0.129 0.000 1.081 308 L CA 0.966 55.766 54.840 -0.068 0.000 0.752 308 L CB -0.579 41.446 42.059 -0.058 0.000 0.896 308 L HN 0.366 nan 8.230 nan 0.000 0.433 309 L N 0.031 121.121 121.223 -0.223 0.000 2.017 309 L HA -0.217 2.313 4.340 -3.017 0.000 0.208 309 L C 2.387 179.083 176.870 -0.291 0.000 1.073 309 L CA 1.793 56.412 54.840 -0.368 0.000 0.745 309 L CB -0.625 41.164 42.059 -0.451 0.000 0.894 309 L HN 0.232 nan 8.230 nan 0.000 0.432 310 E N -0.570 119.585 120.200 -0.075 0.000 2.049 310 E HA -0.301 2.239 4.350 -3.017 0.000 0.198 310 E C 2.333 179.025 176.600 0.153 0.000 1.007 310 E CA 1.697 58.210 56.400 0.187 0.000 0.809 310 E CB -0.073 29.777 29.700 0.249 0.000 0.749 310 E HN 0.450 nan 8.360 nan 0.000 0.450 311 R N -0.157 120.388 120.500 0.076 0.000 2.105 311 R HA -0.168 2.362 4.340 -3.017 0.000 0.239 311 R C 2.448 178.780 176.300 0.053 0.000 1.135 311 R CA 1.537 57.701 56.100 0.107 0.000 0.967 311 R CB -0.209 30.151 30.300 0.100 0.000 0.861 311 R HN -0.020 nan 8.270 nan 0.000 0.442 312 R N 0.567 121.020 120.500 -0.078 0.000 2.075 312 R HA -0.047 2.483 4.340 -3.017 0.000 0.232 312 R C 1.442 177.609 176.300 -0.221 0.000 1.126 312 R CA 1.579 57.524 56.100 -0.259 0.000 0.963 312 R CB -0.554 29.581 30.300 -0.274 0.000 0.858 312 R HN 0.252 nan 8.270 nan 0.000 0.435 313 F N -1.189 118.711 119.950 -0.082 0.000 2.802 313 F HA -0.052 3.006 4.527 -2.450 0.000 0.300 313 F C 1.734 177.629 175.800 0.158 0.000 1.168 313 F CA -0.478 57.571 58.000 0.081 0.000 1.433 313 F CB 0.152 39.219 39.000 0.112 0.000 1.115 313 F HN 0.171 nan 8.300 nan 0.000 0.582 314 C N -0.321 119.116 119.300 0.227 0.000 2.485 314 C HA -0.080 2.570 4.460 -3.017 0.000 0.277 314 C C 2.149 177.272 174.990 0.222 0.000 1.376 314 C CA 0.935 60.090 59.018 0.229 0.000 1.759 314 C CB -1.029 26.852 27.740 0.234 0.000 1.970 314 C HN 0.550 nan 8.230 nan 0.000 0.509 315 H N -2.906 116.278 119.070 0.191 0.000 3.233 315 H HA 0.307 3.070 4.556 -2.987 0.000 0.263 315 H C 0.189 175.593 175.328 0.127 0.000 1.168 315 H CA 0.308 56.436 56.048 0.133 0.000 1.159 315 H CB 0.128 29.947 29.762 0.094 0.000 1.593 315 H HN 0.277 nan 8.280 nan 0.000 0.580 316 S N 0.439 116.126 115.700 -0.021 0.000 2.556 316 S HA 0.426 3.086 4.470 -3.017 0.000 0.271 316 S C 0.174 174.801 174.600 0.046 0.000 1.135 316 S CA -0.768 57.452 58.200 0.033 0.000 0.858 316 S CB 2.011 65.223 63.200 0.020 0.000 1.114 316 S HN 0.387 nan 8.310 nan 0.000 0.468 317 R N 1.116 121.554 120.500 -0.103 0.000 2.334 317 R HA 0.323 2.853 4.340 -3.017 0.000 0.220 317 R C -0.347 175.858 176.300 -0.158 0.000 0.917 317 R CA 0.096 55.960 56.100 -0.393 0.000 1.073 317 R CB 0.433 30.443 30.300 -0.484 0.000 1.056 317 R HN 0.414 nan 8.270 nan 0.000 0.506 318 S N -0.429 115.334 115.700 0.104 0.000 2.549 318 S HA 0.431 3.091 4.470 -3.017 0.000 0.280 318 S C -1.339 173.362 174.600 0.168 0.000 1.109 318 S CA -0.770 57.511 58.200 0.134 0.000 0.905 318 S CB 2.745 65.911 63.200 -0.056 0.000 1.081 318 S HN 0.194 nan 8.310 nan 0.000 0.477 319 C N 2.747 122.103 119.300 0.093 0.000 2.607 319 C HA 0.669 3.319 4.460 -3.017 0.000 0.350 319 C C -1.212 173.766 174.990 -0.019 0.000 1.101 319 C CA -0.201 58.791 59.018 -0.042 0.000 1.282 319 C CB -0.067 27.499 27.740 -0.291 0.000 1.825 319 C HN 0.733 nan 8.230 nan 0.000 0.460 320 V N 7.378 127.296 119.914 0.007 0.000 2.398 320 V HA 0.523 2.833 4.120 -3.017 0.000 0.286 320 V C -0.031 176.051 176.094 -0.019 0.000 1.026 320 V CA -0.232 62.082 62.300 0.022 0.000 0.868 320 V CB 1.519 33.394 31.823 0.087 0.000 0.982 320 V HN 0.730 nan 8.190 nan 0.000 0.443 321 I N 5.845 126.400 120.570 -0.025 0.000 2.382 321 I HA 0.422 2.782 4.170 -3.017 0.000 0.286 321 I C -0.842 175.250 176.117 -0.041 0.000 1.002 321 I CA -0.563 60.704 61.300 -0.055 0.000 1.135 321 I CB 1.820 39.778 38.000 -0.071 0.000 1.288 321 I HN 0.406 nan 8.210 nan 0.000 0.448 322 I N 7.318 127.852 120.570 -0.060 0.000 2.353 322 I HA 0.321 2.681 4.170 -3.017 0.000 0.293 322 I C -0.166 175.889 176.117 -0.104 0.000 0.992 322 I CA -0.392 60.878 61.300 -0.051 0.000 1.268 322 I CB 1.616 39.595 38.000 -0.035 0.000 1.387 322 I HN 0.208 nan 8.210 nan 0.000 0.478 323 V N 6.822 126.684 119.914 -0.086 0.000 2.577 323 V HA 0.843 3.153 4.120 -3.017 0.000 0.303 323 V C -0.123 175.933 176.094 -0.063 0.000 1.042 323 V CA -0.533 61.675 62.300 -0.152 0.000 0.872 323 V CB 1.578 33.297 31.823 -0.175 0.000 0.998 323 V HN 0.870 nan 8.190 nan 0.000 0.423 324 A N 4.555 127.342 122.820 -0.056 0.000 2.371 324 A HA 0.438 2.948 4.320 -3.017 0.000 0.257 324 A C 1.089 178.685 177.584 0.019 0.000 1.089 324 A CA 0.294 52.329 52.037 -0.003 0.000 0.794 324 A CB 0.382 19.383 19.000 0.002 0.000 1.029 324 A HN 1.109 nan 8.150 nan 0.000 0.488 325 E N 2.057 122.262 120.200 0.009 0.000 2.268 325 E HA -0.102 2.438 4.350 -3.017 0.000 0.195 325 E C 1.155 177.747 176.600 -0.015 0.000 0.995 325 E CA 1.152 57.551 56.400 -0.001 0.000 0.836 325 E CB -0.195 29.500 29.700 -0.009 0.000 0.763 325 E HN 0.671 nan 8.360 nan 0.000 0.491 326 G N 0.761 109.556 108.800 -0.008 0.000 2.985 326 G HA2 0.005 2.155 3.960 -3.017 0.000 0.209 326 G HA3 0.005 2.155 3.960 -3.017 0.000 0.209 326 G C 0.065 174.939 174.900 -0.043 0.000 1.165 326 G CA -0.583 44.497 45.100 -0.033 0.000 0.776 326 G HN 0.253 nan 8.290 nan 0.000 0.541 327 F N 1.031 120.875 119.950 -0.177 0.000 2.444 327 F HA 0.429 3.146 4.527 -3.016 0.000 0.331 327 F C 1.383 176.956 175.800 -0.377 0.000 1.167 327 F CA 0.714 58.562 58.000 -0.252 0.000 1.262 327 F CB 1.019 39.860 39.000 -0.265 0.000 1.196 327 F HN 0.167 nan 8.300 nan 0.000 0.583 328 G N 3.652 111.503 108.800 -1.583 0.000 2.321 328 G HA2 -0.314 1.836 3.960 -3.017 0.000 0.287 328 G HA3 -0.314 1.836 3.960 -3.017 0.000 0.287 328 G C 0.755 175.254 174.900 -0.669 0.000 1.018 328 G CA 0.591 44.699 45.100 -1.653 0.000 0.855 328 G HN 0.628 nan 8.290 nan 0.000 0.507 329 Q N 0.245 119.816 119.800 -0.381 0.000 2.369 329 Q HA -0.016 2.514 4.340 -3.017 0.000 0.206 329 Q C 1.927 177.886 176.000 -0.067 0.000 0.963 329 Q CA 1.501 57.203 55.803 -0.169 0.000 0.894 329 Q CB -0.030 28.631 28.738 -0.129 0.000 0.965 329 Q HN 0.908 nan 8.270 nan 0.000 0.475 330 D N -2.183 118.193 120.400 -0.040 0.000 2.319 330 D HA -0.090 2.739 4.640 -3.017 0.000 0.230 330 D C 0.549 176.977 176.300 0.213 0.000 1.094 330 D CA -0.106 53.932 54.000 0.065 0.000 0.856 330 D CB -0.319 40.510 40.800 0.047 0.000 0.915 330 D HN 0.170 nan 8.370 nan 0.000 0.517 331 W N 1.779 123.002 121.300 -0.130 0.000 3.290 331 W HA 0.445 3.292 4.660 -3.022 0.000 0.287 331 W C 1.167 177.648 176.519 -0.063 0.000 1.288 331 W CA -0.180 57.106 57.345 -0.098 0.000 1.725 331 W CB 0.670 30.068 29.460 -0.103 0.000 1.103 331 W HN 0.086 nan 8.180 nan 0.000 0.670 332 G N -0.364 108.520 108.800 0.140 0.000 2.554 332 G HA2 0.417 2.567 3.960 -3.017 0.000 0.306 332 G HA3 0.417 2.567 3.960 -3.017 0.000 0.306 332 G C -0.605 174.317 174.900 0.037 0.000 1.320 332 G CA -1.054 44.089 45.100 0.072 0.000 0.800 332 G HN -0.078 nan 8.290 nan 0.000 0.481 339 D N 0.456 120.956 120.400 0.166 0.000 2.478 339 D HA 0.548 3.378 4.640 -3.017 0.000 0.263 339 D C 1.027 177.392 176.300 0.108 0.000 1.153 339 D CA -0.082 53.981 54.000 0.105 0.000 1.038 339 D CB 1.072 41.914 40.800 0.070 0.000 1.120 339 D HN 0.657 nan 8.370 nan 0.000 0.564 340 A N -0.114 122.752 122.820 0.076 0.000 2.076 340 A HA -0.122 2.388 4.320 -3.017 0.000 0.220 340 A C 2.001 179.631 177.584 0.078 0.000 1.160 340 A CA 1.634 53.712 52.037 0.068 0.000 0.653 340 A CB -0.710 18.322 19.000 0.053 0.000 0.801 340 A HN 0.458 nan 8.150 nan 0.000 0.455 341 S N -2.334 113.419 115.700 0.087 0.000 2.524 341 S HA 0.366 3.026 4.470 -3.017 0.000 0.216 341 S C 1.391 176.048 174.600 0.095 0.000 0.987 341 S CA 0.830 59.085 58.200 0.092 0.000 0.909 341 S CB 0.307 63.562 63.200 0.092 0.000 0.781 341 S HN 1.581 nan 8.310 nan 0.000 0.521 342 G N 1.996 110.870 108.800 0.123 0.000 2.163 342 G HA2 -0.190 1.960 3.960 -3.017 0.000 0.213 342 G HA3 -0.190 1.960 3.960 -3.017 0.000 0.213 342 G C -0.290 174.771 174.900 0.269 0.000 0.991 342 G CA -0.612 44.588 45.100 0.167 0.000 0.653 342 G HN 0.409 nan 8.290 nan 0.000 0.518 343 N N 1.134 119.938 118.700 0.172 0.000 2.518 343 N HA 0.245 3.175 4.740 -3.017 0.000 0.266 343 N C 0.246 175.764 175.510 0.013 0.000 1.196 343 N CA 0.103 53.207 53.050 0.091 0.000 0.947 343 N CB 0.764 39.273 38.487 0.036 0.000 1.098 343 N HN 0.096 nan 8.380 nan 0.000 0.450 344 K N 2.128 122.442 120.400 -0.143 0.000 2.383 344 K HA 0.059 2.569 4.320 -3.017 0.000 0.286 344 K C 0.137 176.577 176.600 -0.266 0.000 1.051 344 K CA 0.099 56.121 56.287 -0.441 0.000 0.974 344 K CB 0.500 32.782 32.500 -0.363 0.000 0.968 344 K HN 0.338 nan 8.250 nan 0.000 0.475 345 K N 3.349 123.587 120.400 -0.271 0.000 2.401 345 K HA 0.132 2.642 4.320 -3.017 0.000 0.278 345 K C 0.227 176.748 176.600 -0.131 0.000 1.018 345 K CA -0.150 56.053 56.287 -0.139 0.000 0.981 345 K CB 0.514 32.960 32.500 -0.090 0.000 0.933 345 K HN 0.352 nan 8.250 nan 0.000 0.477 346 L N 4.665 125.836 121.223 -0.086 0.000 2.399 346 L HA 0.366 2.896 4.340 -3.017 0.000 0.266 346 L C 0.675 177.512 176.870 -0.056 0.000 1.114 346 L CA -0.818 53.977 54.840 -0.076 0.000 0.804 346 L CB 0.536 42.558 42.059 -0.061 0.000 1.146 346 L HN 0.566 nan 8.230 nan 0.000 0.451 347 I N -1.622 118.916 120.570 -0.054 0.000 2.575 347 I HA 0.141 2.501 4.170 -3.017 0.000 0.285 347 I C 0.051 176.146 176.117 -0.036 0.000 1.085 347 I CA -0.383 60.896 61.300 -0.035 0.000 1.403 347 I CB 0.766 38.751 38.000 -0.025 0.000 1.409 347 I HN 0.521 nan 8.210 nan 0.000 0.557 348 D N 5.493 125.879 120.400 -0.023 0.000 2.357 348 D HA 0.013 2.843 4.640 -3.017 0.000 0.265 348 D C 0.647 176.917 176.300 -0.050 0.000 1.334 348 D CA 0.006 53.992 54.000 -0.023 0.000 0.984 348 D CB 0.651 41.449 40.800 -0.002 0.000 1.077 348 D HN 0.663 nan 8.370 nan 0.000 0.514 349 I N 3.886 124.418 120.570 -0.063 0.000 2.676 349 I HA 0.035 2.395 4.170 -3.017 0.000 0.259 349 I C 2.045 178.089 176.117 -0.122 0.000 1.194 349 I CA 0.959 62.200 61.300 -0.099 0.000 1.473 349 I CB -0.336 37.589 38.000 -0.125 0.000 1.096 349 I HN 0.462 nan 8.210 nan 0.000 0.443 350 G N -0.075 108.658 108.800 -0.112 0.000 2.459 350 G HA2 -0.207 1.943 3.960 -3.017 0.000 0.217 350 G HA3 -0.207 1.943 3.960 -3.017 0.000 0.217 350 G C 1.694 176.178 174.900 -0.692 0.000 1.183 350 G CA 1.172 46.111 45.100 -0.268 0.000 0.776 350 G HN 0.318 nan 8.290 nan 0.000 0.552 351 V N 0.965 120.598 119.914 -0.469 0.000 2.358 351 V HA -0.118 2.192 4.120 -3.017 0.000 0.246 351 V C 2.812 178.777 176.094 -0.216 0.000 1.047 351 V CA 1.576 63.643 62.300 -0.388 0.000 1.035 351 V CB -0.328 31.408 31.823 -0.144 0.000 0.658 351 V HN 0.389 nan 8.190 nan 0.000 0.452 352 I N -0.554 119.950 120.570 -0.110 0.000 2.202 352 I HA -0.230 2.130 4.170 -3.017 0.000 0.242 352 I C 2.367 178.514 176.117 0.049 0.000 1.091 352 I CA 1.371 62.672 61.300 0.002 0.000 1.368 352 I CB -0.365 37.674 38.000 0.065 0.000 1.058 352 I HN 0.310 nan 8.210 nan 0.000 0.410 353 L N 0.313 121.541 121.223 0.009 0.000 2.046 353 L HA -0.194 2.336 4.340 -3.017 0.000 0.208 353 L C 2.420 179.301 176.870 0.019 0.000 1.077 353 L CA 2.096 56.983 54.840 0.078 0.000 0.747 353 L CB -0.890 41.159 42.059 -0.017 0.000 0.896 353 L HN 0.152 nan 8.230 nan 0.000 0.432 354 T N -0.571 113.915 114.554 -0.114 0.000 2.746 354 T HA -0.185 2.355 4.350 -3.017 0.000 0.267 354 T C 1.720 176.412 174.700 -0.014 0.000 1.039 354 T CA 1.807 63.848 62.100 -0.099 0.000 1.142 354 T CB -0.212 68.511 68.868 -0.243 0.000 0.866 354 T HN 0.476 nan 8.240 nan 0.000 0.444 355 E N 0.638 120.829 120.200 -0.014 0.000 2.047 355 E HA -0.099 2.441 4.350 -3.017 0.000 0.191 355 E C 2.433 179.073 176.600 0.066 0.000 0.987 355 E CA 0.757 57.173 56.400 0.026 0.000 0.799 355 E CB 0.042 29.753 29.700 0.019 0.000 0.752 355 E HN 0.268 nan 8.360 nan 0.000 0.449 356 K N 0.482 120.936 120.400 0.091 0.000 2.103 356 K HA -0.124 2.386 4.320 -3.017 0.000 0.207 356 K C 2.177 178.859 176.600 0.136 0.000 1.048 356 K CA 0.834 57.188 56.287 0.112 0.000 0.930 356 K CB -0.431 32.157 32.500 0.146 0.000 0.716 356 K HN 0.094 nan 8.250 nan 0.000 0.444 357 V N 1.595 121.581 119.914 0.120 0.000 2.379 357 V HA -0.194 2.116 4.120 -3.017 0.000 0.245 357 V C 2.312 178.517 176.094 0.185 0.000 1.044 357 V CA 1.510 63.893 62.300 0.139 0.000 1.036 357 V CB -0.342 31.526 31.823 0.075 0.000 0.664 357 V HN 0.299 nan 8.190 nan 0.000 0.453 358 K N 0.308 120.783 120.400 0.125 0.000 2.009 358 K HA -0.182 2.328 4.320 -3.017 0.000 0.210 358 K C 2.357 179.024 176.600 0.113 0.000 1.049 358 K CA 1.623 57.975 56.287 0.109 0.000 0.929 358 K CB -0.563 31.981 32.500 0.074 0.000 0.714 358 K HN 0.443 nan 8.250 nan 0.000 0.440 359 A N 1.272 124.157 122.820 0.108 0.000 1.884 359 A HA -0.263 2.247 4.320 -3.017 0.000 0.219 359 A C 2.073 179.734 177.584 0.128 0.000 1.197 359 A CA 1.932 54.028 52.037 0.099 0.000 0.637 359 A CB -1.032 18.023 19.000 0.093 0.000 0.827 359 A HN 0.449 nan 8.150 nan 0.000 0.450 360 F N 0.369 120.345 119.950 0.043 0.000 2.126 360 F HA -0.149 2.547 4.527 -3.051 0.000 0.299 360 F C 1.859 177.717 175.800 0.098 0.000 1.096 360 F CA 2.003 60.039 58.000 0.059 0.000 1.255 360 F CB -0.157 38.875 39.000 0.052 0.000 0.997 360 F HN 0.150 nan 8.300 nan 0.000 0.479 361 L N -0.084 121.199 121.223 0.101 0.000 2.313 361 L HA -0.102 2.428 4.340 -3.017 0.000 0.214 361 L C 2.396 179.264 176.870 -0.003 0.000 1.119 361 L CA 0.975 55.838 54.840 0.039 0.000 0.809 361 L CB -0.625 41.528 42.059 0.157 0.000 0.933 361 L HN 0.108 nan 8.230 nan 0.000 0.449 362 K N 0.934 121.336 120.400 0.003 0.000 2.025 362 K HA -0.093 2.417 4.320 -3.017 0.000 0.207 362 K C 2.029 178.596 176.600 -0.055 0.000 1.049 362 K CA 1.218 57.500 56.287 -0.009 0.000 0.933 362 K CB -0.094 32.414 32.500 0.012 0.000 0.714 362 K HN 0.226 nan 8.250 nan 0.000 0.438 363 A N 0.762 123.531 122.820 -0.086 0.000 2.248 363 A HA -0.048 2.462 4.320 -3.017 0.000 0.210 363 A C 0.713 178.189 177.584 -0.179 0.000 1.174 363 A CA 0.915 52.885 52.037 -0.112 0.000 0.750 363 A CB -0.172 18.774 19.000 -0.091 0.000 0.780 363 A HN 0.356 nan 8.150 nan 0.000 0.478 364 N N -0.760 117.808 118.700 -0.220 0.000 2.451 364 N HA 0.109 3.039 4.740 -3.017 0.000 0.271 364 N C 0.334 175.734 175.510 -0.184 0.000 1.410 364 N CA -0.117 52.781 53.050 -0.253 0.000 0.884 364 N CB 0.540 38.790 38.487 -0.394 0.000 1.332 364 N HN 0.402 nan 8.380 nan 0.000 0.498 365 K N 0.430 120.761 120.400 -0.115 0.000 2.160 365 K HA -0.157 2.353 4.320 -3.017 0.000 0.206 365 K C 2.002 178.526 176.600 -0.127 0.000 1.047 365 K CA 1.124 57.363 56.287 -0.080 0.000 0.930 365 K CB 0.102 32.570 32.500 -0.052 0.000 0.720 365 K HN 0.083 nan 8.250 nan 0.000 0.450 366 S N 1.234 116.838 115.700 -0.161 0.000 2.398 366 S HA -0.256 2.404 4.470 -3.017 0.000 0.220 366 S C 2.053 176.494 174.600 -0.266 0.000 1.038 366 S CA 1.721 59.814 58.200 -0.178 0.000 1.080 366 S CB -0.203 62.895 63.200 -0.170 0.000 1.039 366 S HN 0.314 nan 8.310 nan 0.000 0.419 367 R N -0.727 119.510 120.500 -0.438 0.000 2.096 367 R HA -0.056 2.474 4.340 -3.017 0.000 0.235 367 R C -0.201 175.576 176.300 -0.871 0.000 1.127 367 R CA 1.287 56.968 56.100 -0.698 0.000 0.968 367 R CB -0.155 29.542 30.300 -1.006 0.000 0.861 367 R HN 0.558 nan 8.270 nan 0.000 0.440 368 Y N -0.341 119.743 120.300 -0.361 0.000 2.712 368 Y HA 0.346 2.575 4.550 -3.869 0.000 0.328 368 Y C -1.939 173.816 175.900 -0.243 0.000 0.995 368 Y CA -3.482 54.296 58.100 -0.537 0.000 1.283 368 Y CB 1.242 39.361 38.460 -0.567 0.000 1.092 368 Y HN 0.030 nan 8.280 nan 0.000 0.519 369 P HA -0.165 nan 4.420 nan 0.000 0.205 369 P C 0.345 177.671 177.300 0.044 0.000 1.181 369 P CA 1.488 64.589 63.100 0.001 0.000 0.933 369 P CB 0.417 32.138 31.700 0.035 0.000 0.775 370 D N -1.293 119.165 120.400 0.098 0.000 2.387 370 D HA 0.423 3.253 4.640 -3.017 0.000 0.251 370 D C -0.145 176.239 176.300 0.138 0.000 1.141 370 D CA 0.191 54.248 54.000 0.095 0.000 0.987 370 D CB 0.892 41.738 40.800 0.076 0.000 1.116 370 D HN 0.129 nan 8.370 nan 0.000 0.491 371 S N -0.792 114.968 115.700 0.100 0.000 2.756 371 S HA 0.327 2.987 4.470 -3.017 0.000 0.295 371 S C -1.463 173.189 174.600 0.086 0.000 0.945 371 S CA -0.956 57.309 58.200 0.109 0.000 0.838 371 S CB 0.515 63.782 63.200 0.111 0.000 1.042 371 S HN 0.285 nan 8.310 nan 0.000 0.467 372 T N 1.715 116.324 114.554 0.091 0.000 2.912 372 T HA 0.695 3.235 4.350 -3.017 0.000 0.299 372 T C -0.989 173.768 174.700 0.095 0.000 1.052 372 T CA -0.808 61.338 62.100 0.077 0.000 0.996 372 T CB 1.725 70.623 68.868 0.048 0.000 1.070 372 T HN 1.041 nan 8.240 nan 0.000 0.465 373 V N 3.549 123.515 119.914 0.087 0.000 2.409 373 V HA 0.510 2.820 4.120 -3.017 0.000 0.291 373 V C -0.494 175.655 176.094 0.091 0.000 1.020 373 V CA -0.900 61.455 62.300 0.092 0.000 0.848 373 V CB 1.485 33.364 31.823 0.092 0.000 0.990 373 V HN 0.688 nan 8.190 nan 0.000 0.430 374 K N 4.360 124.815 120.400 0.092 0.000 2.292 374 K HA 0.461 2.971 4.320 -3.017 0.000 0.257 374 K C -1.224 175.468 176.600 0.153 0.000 0.940 374 K CA -0.541 55.805 56.287 0.098 0.000 0.811 374 K CB 2.774 35.307 32.500 0.054 0.000 1.120 374 K HN 0.765 nan 8.250 nan 0.000 0.428 375 Y N 3.296 123.603 120.300 0.012 0.000 2.352 375 Y HA 0.513 3.252 4.550 -3.019 0.000 0.339 375 Y C -0.762 175.138 175.900 -0.000 0.000 0.992 375 Y CA -0.945 57.158 58.100 0.005 0.000 1.100 375 Y CB 1.002 39.467 38.460 0.008 0.000 1.192 375 Y HN 0.477 nan 8.280 nan 0.000 0.458 376 I N 5.968 126.223 120.570 -0.525 0.000 2.418 376 I HA 0.207 2.567 4.170 -3.017 0.000 0.287 376 I C -1.211 174.449 176.117 -0.762 0.000 1.008 376 I CA -0.702 60.277 61.300 -0.535 0.000 1.104 376 I CB 1.700 39.568 38.000 -0.220 0.000 1.264 376 I HN 0.604 nan 8.210 nan 0.000 0.438 377 D N 9.037 129.019 120.400 -0.695 0.000 2.479 377 D HA 0.276 3.106 4.640 -3.017 0.000 0.247 377 D C -1.765 174.383 176.300 -0.254 0.000 1.119 377 D CA -1.933 51.798 54.000 -0.449 0.000 0.922 377 D CB 1.210 41.786 40.800 -0.373 0.000 1.014 377 D HN 0.255 nan 8.370 nan 0.000 0.510 378 P HA 0.109 nan 4.420 nan 0.000 0.255 378 P C 0.845 178.076 177.300 -0.114 0.000 1.427 378 P CA -0.140 62.887 63.100 -0.121 0.000 0.863 378 P CB 0.530 32.177 31.700 -0.089 0.000 1.444 379 S N 0.429 116.012 115.700 -0.195 0.000 2.377 379 S HA -0.205 2.455 4.470 -3.017 0.000 0.224 379 S C 1.560 176.075 174.600 -0.142 0.000 1.042 379 S CA 1.543 59.603 58.200 -0.234 0.000 1.086 379 S CB -1.058 61.892 63.200 -0.417 0.000 0.995 379 S HN 0.219 nan 8.310 nan 0.000 0.428 380 Y N 1.457 121.758 120.300 0.001 0.000 2.224 380 Y HA 0.054 2.794 4.550 -3.015 0.000 0.289 380 Y C 2.410 178.316 175.900 0.010 0.000 1.146 380 Y CA 0.398 58.504 58.100 0.010 0.000 1.182 380 Y CB -0.825 37.642 38.460 0.010 0.000 0.983 380 Y HN 0.228 nan 8.280 nan 0.000 0.524 381 M N -0.993 118.682 119.600 0.125 0.000 2.279 381 M HA -0.177 2.493 4.480 -3.017 0.000 0.264 381 M C 1.863 178.194 176.300 0.051 0.000 1.062 381 M CA 1.557 56.901 55.300 0.074 0.000 1.099 381 M CB -0.466 32.154 32.600 0.035 0.000 1.394 381 M HN 0.271 nan 8.290 nan 0.000 0.426 382 I N -0.110 120.482 120.570 0.037 0.000 2.277 382 I HA -0.219 2.141 4.170 -3.017 0.000 0.243 382 I C 2.422 178.573 176.117 0.056 0.000 1.094 382 I CA 1.169 62.485 61.300 0.026 0.000 1.393 382 I CB -0.286 37.715 38.000 0.001 0.000 1.078 382 I HN 0.266 nan 8.210 nan 0.000 0.417 383 R N 1.041 121.592 120.500 0.085 0.000 2.148 383 R HA 0.062 2.592 4.340 -3.017 0.000 0.223 383 R C 1.636 178.005 176.300 0.115 0.000 1.088 383 R CA 1.139 57.304 56.100 0.108 0.000 0.985 383 R CB -0.223 30.159 30.300 0.137 0.000 0.880 383 R HN 0.251 nan 8.270 nan 0.000 0.451 384 A N 0.902 123.792 122.820 0.116 0.000 2.507 384 A HA 0.153 2.663 4.320 -3.017 0.000 0.270 384 A C 0.490 178.125 177.584 0.085 0.000 1.318 384 A CA -0.555 51.543 52.037 0.102 0.000 0.924 384 A CB -0.291 18.767 19.000 0.097 0.000 1.061 384 A HN 0.475 nan 8.150 nan 0.000 0.516 385 C N -1.662 117.684 119.300 0.076 0.000 2.454 385 C HA 0.861 3.511 4.460 -3.017 0.000 0.336 385 C C -2.949 172.073 174.990 0.053 0.000 1.189 385 C CA -2.512 56.539 59.018 0.055 0.000 1.877 385 C CB 1.565 29.328 27.740 0.038 0.000 2.348 385 C HN 0.267 nan 8.230 nan 0.000 0.508 386 P HA 0.376 nan 4.420 nan 0.000 0.272 386 P C -2.635 174.677 177.300 0.019 0.000 1.223 386 P CA -0.896 62.211 63.100 0.013 0.000 0.784 386 P CB -0.341 31.333 31.700 -0.043 0.000 0.923 387 P HA 0.060 nan 4.420 nan 0.000 0.271 387 P C 0.019 177.331 177.300 0.020 0.000 1.216 387 P CA -0.156 62.973 63.100 0.049 0.000 0.776 387 P CB 0.138 31.877 31.700 0.065 0.000 0.881 388 S N 1.860 117.576 115.700 0.026 0.000 2.560 388 S HA 0.110 2.770 4.470 -3.017 0.000 0.276 388 S C 1.563 176.177 174.600 0.023 0.000 1.350 388 S CA 0.132 58.340 58.200 0.014 0.000 1.024 388 S CB 0.070 63.275 63.200 0.009 0.000 0.864 388 S HN 0.525 nan 8.310 nan 0.000 0.536 389 A N 2.505 125.334 122.820 0.015 0.000 1.917 389 A HA -0.180 2.330 4.320 -3.017 0.000 0.219 389 A C 2.241 179.852 177.584 0.044 0.000 1.182 389 A CA 1.803 53.854 52.037 0.022 0.000 0.633 389 A CB -1.184 17.826 19.000 0.017 0.000 0.819 389 A HN 0.931 nan 8.150 nan 0.000 0.448 390 N N -0.126 118.601 118.700 0.044 0.000 2.166 390 N HA -0.143 2.787 4.740 -3.017 0.000 0.186 390 N C 1.054 176.633 175.510 0.115 0.000 1.019 390 N CA 1.525 54.614 53.050 0.064 0.000 0.856 390 N CB -0.331 38.175 38.487 0.032 0.000 0.993 390 N HN 0.416 nan 8.380 nan 0.000 0.426 391 D N 1.104 121.572 120.400 0.114 0.000 2.144 391 D HA -0.048 2.782 4.640 -3.017 0.000 0.199 391 D C 1.865 178.288 176.300 0.206 0.000 0.984 391 D CA 0.642 54.763 54.000 0.202 0.000 0.834 391 D CB -0.136 40.774 40.800 0.184 0.000 0.955 391 D HN 0.199 nan 8.370 nan 0.000 0.465 392 A N 0.782 123.669 122.820 0.112 0.000 1.877 392 A HA -0.161 2.349 4.320 -3.017 0.000 0.216 392 A C 2.173 179.791 177.584 0.057 0.000 1.186 392 A CA 1.145 53.216 52.037 0.057 0.000 0.620 392 A CB -0.815 18.202 19.000 0.029 0.000 0.822 392 A HN 0.278 nan 8.150 nan 0.000 0.443 393 L N -1.383 119.894 121.223 0.091 0.000 2.042 393 L HA -0.129 2.401 4.340 -3.017 0.000 0.210 393 L C 2.190 179.153 176.870 0.155 0.000 1.076 393 L CA 2.251 57.146 54.840 0.092 0.000 0.749 393 L CB -0.729 41.395 42.059 0.107 0.000 0.893 393 L HN 0.464 nan 8.230 nan 0.000 0.432 394 F N -0.840 119.149 119.950 0.066 0.000 2.084 394 F HA -0.274 2.444 4.527 -3.016 0.000 0.296 394 F C 2.576 178.428 175.800 0.087 0.000 1.111 394 F CA 1.800 59.878 58.000 0.129 0.000 1.224 394 F CB -0.432 38.670 39.000 0.170 0.000 0.991 394 F HN 0.164 nan 8.300 nan 0.000 0.471 395 C N 0.771 120.085 119.300 0.023 0.000 2.385 395 C HA -0.280 2.370 4.460 -3.017 0.000 0.275 395 C C 3.123 177.958 174.990 -0.259 0.000 1.207 395 C CA 1.371 60.252 59.018 -0.229 0.000 1.760 395 C CB -1.849 25.735 27.740 -0.259 0.000 2.051 395 C HN 0.664 nan 8.230 nan 0.000 0.467 396 A N -0.206 122.507 122.820 -0.178 0.000 1.933 396 A HA -0.158 2.352 4.320 -3.017 0.000 0.218 396 A C 2.171 179.620 177.584 -0.224 0.000 1.175 396 A CA 2.464 54.384 52.037 -0.195 0.000 0.628 396 A CB -0.978 17.934 19.000 -0.147 0.000 0.814 396 A HN 0.609 nan 8.150 nan 0.000 0.444 397 T N 0.534 114.960 114.554 -0.214 0.000 2.701 397 T HA -0.074 2.466 4.350 -3.017 0.000 0.263 397 T C 1.858 176.305 174.700 -0.422 0.000 1.040 397 T CA 1.409 63.323 62.100 -0.310 0.000 1.147 397 T CB -0.430 68.267 68.868 -0.284 0.000 0.865 397 T HN 0.347 nan 8.240 nan 0.000 0.426 398 L N 0.870 121.858 121.223 -0.391 0.000 2.013 398 L HA -0.179 2.351 4.340 -3.017 0.000 0.212 398 L C 3.081 179.795 176.870 -0.261 0.000 1.073 398 L CA 1.511 56.184 54.840 -0.278 0.000 0.753 398 L CB -0.732 41.178 42.059 -0.250 0.000 0.890 398 L HN 0.268 nan 8.230 nan 0.000 0.432 399 A N -0.876 121.758 122.820 -0.310 0.000 1.902 399 A HA -0.209 2.301 4.320 -3.017 0.000 0.217 399 A C 2.352 179.688 177.584 -0.414 0.000 1.181 399 A CA 2.372 54.182 52.037 -0.378 0.000 0.623 399 A CB -0.892 17.884 19.000 -0.374 0.000 0.818 399 A HN 0.400 nan 8.150 nan 0.000 0.443 400 T N 0.358 114.699 114.554 -0.355 0.000 2.674 400 T HA -0.085 2.455 4.350 -3.017 0.000 0.265 400 T C 1.816 176.270 174.700 -0.412 0.000 1.039 400 T CA 1.540 63.413 62.100 -0.378 0.000 1.150 400 T CB -0.402 68.291 68.868 -0.292 0.000 0.864 400 T HN 0.366 nan 8.240 nan 0.000 0.427 401 L N 0.764 121.822 121.223 -0.275 0.000 2.131 401 L HA -0.108 2.422 4.340 -3.017 0.000 0.210 401 L C 2.961 179.728 176.870 -0.172 0.000 1.092 401 L CA 1.077 55.844 54.840 -0.121 0.000 0.759 401 L CB -0.624 41.359 42.059 -0.126 0.000 0.903 401 L HN 0.243 nan 8.230 nan 0.000 0.435 402 A N -0.363 122.273 122.820 -0.307 0.000 1.902 402 A HA -0.156 2.354 4.320 -3.017 0.000 0.217 402 A C 2.318 179.550 177.584 -0.586 0.000 1.181 402 A CA 1.901 53.586 52.037 -0.587 0.000 0.623 402 A CB -0.760 17.932 19.000 -0.514 0.000 0.818 402 A HN 0.206 nan 8.150 nan 0.000 0.443 403 V N -0.667 118.985 119.914 -0.438 0.000 2.379 403 V HA -0.254 2.056 4.120 -3.017 0.000 0.245 403 V C 2.248 178.202 176.094 -0.234 0.000 1.044 403 V CA 2.190 64.340 62.300 -0.250 0.000 1.036 403 V CB -1.156 30.471 31.823 -0.327 0.000 0.664 403 V HN 0.735 nan 8.190 nan 0.000 0.453 404 H N -0.177 118.810 119.070 -0.139 0.000 2.290 404 H HA -0.148 2.598 4.556 -3.017 0.000 0.298 404 H C 2.524 177.814 175.328 -0.065 0.000 1.087 404 H CA 1.643 57.665 56.048 -0.045 0.000 1.291 404 H CB 0.168 29.955 29.762 0.041 0.000 1.369 404 H HN 0.341 nan 8.280 nan 0.000 0.492 405 E N 0.448 120.683 120.200 0.058 0.000 2.072 405 E HA -0.106 2.434 4.350 -3.017 0.000 0.191 405 E C 2.477 179.129 176.600 0.087 0.000 0.985 405 E CA 0.836 57.294 56.400 0.096 0.000 0.801 405 E CB -0.292 29.534 29.700 0.209 0.000 0.750 405 E HN 0.482 nan 8.360 nan 0.000 0.452 406 A N 1.273 124.053 122.820 -0.067 0.000 1.930 406 A HA -0.147 2.363 4.320 -3.017 0.000 0.217 406 A C 2.182 179.853 177.584 0.144 0.000 1.175 406 A CA 1.252 53.309 52.037 0.033 0.000 0.627 406 A CB -0.332 18.546 19.000 -0.204 0.000 0.815 406 A HN 0.111 nan 8.150 nan 0.000 0.443 407 M N -0.253 119.354 119.600 0.012 0.000 2.149 407 M HA -0.104 2.566 4.480 -3.017 0.000 0.261 407 M C 2.040 178.463 176.300 0.206 0.000 1.064 407 M CA 1.474 56.816 55.300 0.069 0.000 1.102 407 M CB -1.375 30.979 32.600 -0.410 0.000 1.369 407 M HN 0.444 nan 8.290 nan 0.000 0.408 408 A N -0.371 122.528 122.820 0.132 0.000 2.346 408 A HA 0.426 2.936 4.320 -3.017 0.000 0.242 408 A C 1.478 179.111 177.584 0.082 0.000 1.323 408 A CA 0.638 52.751 52.037 0.126 0.000 0.940 408 A CB -1.356 17.709 19.000 0.107 0.000 0.943 408 A HN 0.707 nan 8.150 nan 0.000 0.501 409 G N -1.628 107.214 108.800 0.070 0.000 2.168 409 G HA2 0.016 2.165 3.960 -3.017 0.000 0.257 409 G HA3 0.016 2.165 3.960 -3.017 0.000 0.257 409 G C 0.465 175.350 174.900 -0.026 0.000 0.997 409 G CA 0.459 45.483 45.100 -0.125 0.000 0.708 409 G HN 1.691 nan 8.290 nan 0.000 0.520 410 A N -0.700 122.191 122.820 0.118 0.000 2.425 410 A HA 0.811 3.321 4.320 -3.017 0.000 0.249 410 A C 0.589 178.284 177.584 0.186 0.000 1.084 410 A CA 1.197 53.330 52.037 0.160 0.000 0.781 410 A CB 1.017 20.195 19.000 0.296 0.000 1.019 410 A HN 1.579 nan 8.150 nan 0.000 0.490 411 T N -0.311 114.274 114.554 0.051 0.000 2.840 411 T HA 0.532 3.072 4.350 -3.017 0.000 0.317 411 T C 0.513 175.166 174.700 -0.078 0.000 1.401 411 T CA 0.825 62.926 62.100 0.003 0.000 1.028 411 T CB 0.810 69.680 68.868 0.003 0.000 1.317 411 T HN 2.513 nan 8.240 nan 0.000 0.495 412 G N 0.961 109.703 108.800 -0.097 0.000 2.148 412 G HA2 -0.217 1.933 3.960 -3.017 0.000 0.254 412 G HA3 -0.217 1.933 3.960 -3.017 0.000 0.254 412 G C 0.589 175.394 174.900 -0.158 0.000 0.981 412 G CA 0.600 45.639 45.100 -0.103 0.000 0.670 412 G HN 1.765 nan 8.290 nan 0.000 0.528 413 C N -1.122 118.012 119.300 -0.276 0.000 3.044 413 C HA 0.943 3.593 4.460 -3.017 0.000 0.315 413 C C 0.300 174.972 174.990 -0.530 0.000 1.320 413 C CA -1.277 57.532 59.018 -0.348 0.000 1.582 413 C CB 1.384 28.922 27.740 -0.337 0.000 2.039 413 C HN 1.174 nan 8.230 nan 0.000 0.466 414 I N -0.539 119.809 120.570 -0.370 0.000 2.797 414 I HA 0.733 3.093 4.170 -3.017 0.000 0.307 414 I C -0.580 175.450 176.117 -0.145 0.000 1.033 414 I CA -0.898 60.237 61.300 -0.274 0.000 1.071 414 I CB 1.456 39.411 38.000 -0.075 0.000 1.255 414 I HN 0.878 nan 8.210 nan 0.000 0.445 415 I N 3.432 124.067 120.570 0.108 0.000 2.440 415 I HA 0.799 3.159 4.170 -3.017 0.000 0.294 415 I C -0.094 176.131 176.117 0.179 0.000 0.995 415 I CA -0.042 61.401 61.300 0.239 0.000 1.306 415 I CB 1.142 39.379 38.000 0.395 0.000 1.407 415 I HN 0.974 nan 8.210 nan 0.000 0.501 416 A N 7.855 130.775 122.820 0.165 0.000 2.583 416 A HA 0.716 3.226 4.320 -3.017 0.000 0.289 416 A C -1.329 176.286 177.584 0.052 0.000 1.151 416 A CA -0.779 51.328 52.037 0.116 0.000 0.695 416 A CB 1.876 20.924 19.000 0.081 0.000 1.290 416 A HN 0.669 nan 8.150 nan 0.000 0.419 417 M N 1.060 120.649 119.600 -0.019 0.000 2.197 417 M HA 0.488 3.158 4.480 -3.017 0.000 0.301 417 M C -1.201 174.976 176.300 -0.204 0.000 0.987 417 M CA -0.182 55.010 55.300 -0.179 0.000 0.921 417 M CB 1.456 33.928 32.600 -0.212 0.000 1.569 417 M HN 0.810 nan 8.290 nan 0.000 0.431 418 R N 2.058 122.421 120.500 -0.228 0.000 2.628 418 R HA 0.411 2.941 4.340 -3.017 0.000 0.288 418 R C -0.820 175.403 176.300 -0.129 0.000 0.980 418 R CA -0.636 55.203 56.100 -0.435 0.000 0.891 418 R CB 1.404 31.427 30.300 -0.463 0.000 1.188 418 R HN 0.904 nan 8.270 nan 0.000 0.450 419 H N 1.605 120.765 119.070 0.151 0.000 2.692 419 H HA -0.215 2.531 4.556 -3.017 0.000 0.316 419 H C -0.200 175.163 175.328 0.057 0.000 1.176 419 H CA 0.652 56.779 56.048 0.132 0.000 1.142 419 H CB -1.208 28.602 29.762 0.080 0.000 1.475 419 H HN 0.830 nan 8.280 nan 0.000 0.423 420 N N -1.310 117.455 118.700 0.108 0.000 2.708 420 N HA -0.219 2.711 4.740 -3.017 0.000 0.251 420 N C -0.905 174.632 175.510 0.045 0.000 1.123 420 N CA 1.566 54.650 53.050 0.057 0.000 0.739 420 N CB -0.541 37.995 38.487 0.082 0.000 1.113 420 N HN 0.700 nan 8.380 nan 0.000 0.561 421 N N -1.280 117.425 118.700 0.008 0.000 2.265 421 N HA 0.455 3.385 4.740 -3.017 0.000 0.300 421 N C -1.302 174.159 175.510 -0.081 0.000 1.148 421 N CA -0.587 52.491 53.050 0.047 0.000 0.772 421 N CB 1.020 39.577 38.487 0.115 0.000 1.434 421 N HN 0.046 nan 8.380 nan 0.000 0.481 422 Y N 1.459 121.822 120.300 0.104 0.000 2.327 422 Y HA 0.459 3.199 4.550 -3.017 0.000 0.336 422 Y C 0.337 176.289 175.900 0.086 0.000 1.035 422 Y CA -0.662 57.495 58.100 0.095 0.000 1.165 422 Y CB 0.535 39.043 38.460 0.080 0.000 1.181 422 Y HN 0.307 nan 8.280 nan 0.000 0.494 423 I N 1.047 121.730 120.570 0.189 0.000 2.892 423 I HA 0.613 2.973 4.170 -3.017 0.000 0.306 423 I C -1.438 174.758 176.117 0.131 0.000 1.078 423 I CA -1.229 60.156 61.300 0.140 0.000 1.032 423 I CB 2.223 40.294 38.000 0.118 0.000 1.229 423 I HN 0.361 nan 8.210 nan 0.000 0.435 424 L N 4.297 125.572 121.223 0.087 0.000 2.307 424 L HA 0.675 3.205 4.340 -3.017 0.000 0.282 424 L C -0.784 176.067 176.870 -0.030 0.000 1.051 424 L CA -0.948 53.918 54.840 0.044 0.000 0.804 424 L CB 1.781 43.870 42.059 0.050 0.000 1.197 424 L HN 0.428 nan 8.230 nan 0.000 0.431 425 V N 3.414 123.271 119.914 -0.095 0.000 2.668 425 V HA 0.310 2.620 4.120 -3.017 0.000 0.304 425 V C -2.414 173.563 176.094 -0.196 0.000 1.071 425 V CA -1.768 60.424 62.300 -0.181 0.000 0.894 425 V CB 2.161 33.850 31.823 -0.223 0.000 1.008 425 V HN 0.592 nan 8.190 nan 0.000 0.425 426 P HA 0.267 nan 4.420 nan 0.000 0.267 426 P C 1.126 178.334 177.300 -0.153 0.000 1.205 426 P CA 0.172 63.173 63.100 -0.165 0.000 0.765 426 P CB 0.707 32.322 31.700 -0.142 0.000 0.828 427 I N 2.628 123.124 120.570 -0.123 0.000 2.145 427 I HA -0.356 2.004 4.170 -3.017 0.000 0.244 427 I C 2.150 178.227 176.117 -0.067 0.000 1.075 427 I CA 1.785 63.034 61.300 -0.084 0.000 1.332 427 I CB -0.474 37.490 38.000 -0.060 0.000 1.033 427 I HN 0.458 nan 8.210 nan 0.000 0.410 428 K N 0.308 120.668 120.400 -0.068 0.000 2.044 428 K HA -0.196 2.314 4.320 -3.017 0.000 0.210 428 K C 2.089 178.656 176.600 -0.055 0.000 1.049 428 K CA 1.702 57.958 56.287 -0.050 0.000 0.927 428 K CB -0.485 31.985 32.500 -0.049 0.000 0.713 428 K HN 0.228 nan 8.250 nan 0.000 0.443 429 V N 1.364 121.214 119.914 -0.107 0.000 2.261 429 V HA -0.255 2.055 4.120 -3.017 0.000 0.246 429 V C 2.473 178.523 176.094 -0.072 0.000 1.047 429 V CA 2.065 64.283 62.300 -0.137 0.000 1.015 429 V CB -0.796 30.811 31.823 -0.359 0.000 0.642 429 V HN 0.373 nan 8.190 nan 0.000 0.446 430 A N 0.804 123.562 122.820 -0.104 0.000 1.902 430 A HA -0.222 2.288 4.320 -3.017 0.000 0.217 430 A C 2.339 179.956 177.584 0.056 0.000 1.181 430 A CA 2.441 54.479 52.037 0.003 0.000 0.623 430 A CB -1.013 17.971 19.000 -0.026 0.000 0.818 430 A HN 0.648 nan 8.150 nan 0.000 0.443 431 T N -3.494 111.077 114.554 0.028 0.000 3.160 431 T HA 0.123 2.662 4.350 -3.017 0.000 0.257 431 T C 1.432 176.166 174.700 0.057 0.000 1.147 431 T CA 1.165 63.292 62.100 0.045 0.000 1.064 431 T CB 0.065 68.952 68.868 0.032 0.000 0.949 431 T HN 0.209 nan 8.240 nan 0.000 0.526 432 S N 0.445 116.181 115.700 0.060 0.000 2.492 432 S HA 0.338 2.998 4.470 -3.017 0.000 0.218 432 S C 0.722 175.370 174.600 0.080 0.000 1.016 432 S CA -0.051 58.186 58.200 0.061 0.000 0.916 432 S CB 0.274 63.501 63.200 0.045 0.000 0.791 432 S HN 0.645 nan 8.310 nan 0.000 0.513 433 V N 0.836 120.818 119.914 0.113 0.000 3.102 433 V HA 0.807 3.117 4.120 -3.017 0.000 0.312 433 V C -0.910 175.254 176.094 0.117 0.000 1.135 433 V CA -1.536 60.831 62.300 0.112 0.000 1.022 433 V CB 1.926 33.825 31.823 0.127 0.000 1.056 433 V HN 0.374 nan 8.190 nan 0.000 0.436 434 R N 0.755 121.313 120.500 0.096 0.000 2.725 434 R HA 0.722 3.252 4.340 -3.017 0.000 0.277 434 R C -0.821 175.537 176.300 0.097 0.000 0.987 434 R CA -0.937 55.225 56.100 0.103 0.000 0.901 434 R CB 2.382 32.754 30.300 0.120 0.000 1.207 434 R HN 0.774 nan 8.270 nan 0.000 0.463 435 R N 1.481 122.052 120.500 0.120 0.000 2.441 435 R HA 0.511 3.041 4.340 -3.017 0.000 0.284 435 R C -1.082 175.383 176.300 0.276 0.000 1.070 435 R CA -0.434 55.770 56.100 0.172 0.000 1.047 435 R CB 1.394 31.765 30.300 0.118 0.000 1.016 435 R HN 0.466 nan 8.270 nan 0.000 0.477 436 V N 4.910 124.976 119.914 0.254 0.000 3.012 436 V HA 0.241 2.551 4.120 -3.017 0.000 0.307 436 V C -0.384 175.660 176.094 -0.083 0.000 1.166 436 V CA -0.950 61.352 62.300 0.003 0.000 0.974 436 V CB 2.351 34.150 31.823 -0.041 0.000 1.040 436 V HN 0.696 nan 8.190 nan 0.000 0.428 437 L N 3.538 124.450 121.223 -0.518 0.000 2.559 437 L HA 0.108 2.638 4.340 -3.017 0.000 0.282 437 L C 0.208 176.984 176.870 -0.157 0.000 1.232 437 L CA 0.571 55.192 54.840 -0.364 0.000 0.885 437 L CB 0.232 41.994 42.059 -0.495 0.000 1.131 437 L HN 0.647 nan 8.230 nan 0.000 0.498 438 D N 4.035 124.419 120.400 -0.026 0.000 2.359 438 D HA 0.142 2.972 4.640 -3.017 0.000 0.230 438 D C 0.904 177.194 176.300 -0.016 0.000 1.118 438 D CA -0.289 53.699 54.000 -0.020 0.000 0.844 438 D CB 1.319 42.141 40.800 0.037 0.000 1.059 438 D HN 0.402 nan 8.370 nan 0.000 0.493 439 L N 3.551 124.709 121.223 -0.107 0.000 2.456 439 L HA -0.057 2.473 4.340 -3.017 0.000 0.224 439 L C 1.926 178.889 176.870 0.155 0.000 1.148 439 L CA 0.535 55.318 54.840 -0.095 0.000 0.825 439 L CB -0.134 41.780 42.059 -0.241 0.000 0.937 439 L HN 0.218 nan 8.230 nan 0.000 0.450 440 R N 0.298 120.853 120.500 0.091 0.000 2.334 440 R HA 0.222 2.752 4.340 -3.017 0.000 0.216 440 R C 0.855 177.215 176.300 0.100 0.000 0.905 440 R CA 0.204 56.362 56.100 0.097 0.000 1.064 440 R CB -0.322 30.010 30.300 0.054 0.000 1.046 440 R HN 0.151 nan 8.270 nan 0.000 0.508 441 G N 0.476 109.351 108.800 0.125 0.000 2.562 441 G HA2 0.054 2.204 3.960 -3.017 0.000 0.275 441 G HA3 0.054 2.204 3.960 -3.017 0.000 0.275 441 G C 0.514 175.483 174.900 0.115 0.000 1.196 441 G CA -0.415 44.751 45.100 0.109 0.000 0.908 441 G HN -0.079 nan 8.290 nan 0.000 0.524 442 Q N -0.635 119.211 119.800 0.076 0.000 2.096 442 Q HA -0.128 2.402 4.340 -3.017 0.000 0.204 442 Q C 2.574 178.611 176.000 0.062 0.000 0.982 442 Q CA 0.938 56.772 55.803 0.052 0.000 0.850 442 Q CB -0.422 28.333 28.738 0.028 0.000 0.901 442 Q HN 0.512 nan 8.270 nan 0.000 0.422 443 L N -0.156 121.129 121.223 0.104 0.000 1.955 443 L HA -0.157 2.373 4.340 -3.017 0.000 0.213 443 L C 2.057 179.004 176.870 0.128 0.000 1.072 443 L CA 1.941 56.854 54.840 0.122 0.000 0.755 443 L CB -1.039 41.135 42.059 0.193 0.000 0.888 443 L HN 0.415 nan 8.230 nan 0.000 0.432 444 W N 0.765 122.076 121.300 0.019 0.000 2.374 444 W HA -0.225 2.625 4.660 -3.017 0.000 0.288 444 W C 2.493 179.011 176.519 -0.002 0.000 1.218 444 W CA 1.669 59.015 57.345 0.001 0.000 1.245 444 W CB -0.053 29.401 29.460 -0.009 0.000 1.126 444 W HN 0.250 nan 8.180 nan 0.000 0.545 445 R N 0.015 120.524 120.500 0.014 0.000 2.105 445 R HA -0.208 2.322 4.340 -3.017 0.000 0.239 445 R C 2.273 178.479 176.300 -0.157 0.000 1.135 445 R CA 1.785 57.843 56.100 -0.069 0.000 0.967 445 R CB -0.651 29.651 30.300 0.004 0.000 0.861 445 R HN 0.345 nan 8.270 nan 0.000 0.442 446 Q N 0.004 119.725 119.800 -0.133 0.000 2.119 446 Q HA -0.089 2.441 4.340 -3.017 0.000 0.201 446 Q C 2.188 178.044 176.000 -0.240 0.000 0.972 446 Q CA 1.212 56.929 55.803 -0.143 0.000 0.847 446 Q CB 0.131 28.819 28.738 -0.083 0.000 0.903 446 Q HN 0.175 nan 8.270 nan 0.000 0.433 447 V N 1.160 120.836 119.914 -0.396 0.000 2.343 447 V HA -0.286 2.024 4.120 -3.017 0.000 0.247 447 V C 2.173 177.926 176.094 -0.568 0.000 1.051 447 V CA 1.820 63.776 62.300 -0.574 0.000 1.036 447 V CB -0.568 30.614 31.823 -1.069 0.000 0.654 447 V HN 0.332 nan 8.190 nan 0.000 0.451 448 R N -0.048 120.081 120.500 -0.618 0.000 2.073 448 R HA -0.205 2.325 4.340 -3.017 0.000 0.234 448 R C 2.348 178.522 176.300 -0.210 0.000 1.134 448 R CA 1.713 57.590 56.100 -0.373 0.000 0.952 448 R CB -0.481 29.659 30.300 -0.266 0.000 0.850 448 R HN 0.658 nan 8.270 nan 0.000 0.433 449 E N 1.590 121.682 120.200 -0.180 0.000 2.035 449 E HA -0.236 2.304 4.350 -3.017 0.000 0.204 449 E C 2.069 178.604 176.600 -0.108 0.000 1.025 449 E CA 2.033 58.363 56.400 -0.117 0.000 0.835 449 E CB -0.161 29.480 29.700 -0.098 0.000 0.764 449 E HN 0.475 nan 8.360 nan 0.000 0.457 450 I N -0.102 120.392 120.570 -0.126 0.000 2.676 450 I HA -0.010 2.350 4.170 -3.017 0.000 0.259 450 I C 1.021 177.088 176.117 -0.084 0.000 1.194 450 I CA 0.717 61.959 61.300 -0.096 0.000 1.473 450 I CB -0.592 37.348 38.000 -0.100 0.000 1.096 450 I HN -0.022 nan 8.210 nan 0.000 0.443 451 T N 0.161 114.645 114.554 -0.116 0.000 2.899 451 T HA 0.493 3.033 4.350 -3.017 0.000 0.284 451 T C 0.276 174.949 174.700 -0.046 0.000 1.004 451 T CA -0.645 61.401 62.100 -0.090 0.000 1.043 451 T CB 1.858 70.643 68.868 -0.139 0.000 1.013 451 T HN 0.038 nan 8.240 nan 0.000 0.518 452 V N 2.522 122.431 119.914 -0.008 0.000 2.872 452 V HA 0.032 2.342 4.120 -3.017 0.000 0.302 452 V C 0.115 176.211 176.094 0.004 0.000 1.166 452 V CA 0.447 62.765 62.300 0.030 0.000 1.298 452 V CB -0.292 31.544 31.823 0.021 0.000 0.894 452 V HN 0.918 nan 8.190 nan 0.000 0.509 453 D N 3.221 123.634 120.400 0.021 0.000 2.362 453 D HA 0.421 3.251 4.640 -3.017 0.000 0.247 453 D C 0.735 177.052 176.300 0.029 0.000 1.050 453 D CA -0.637 53.370 54.000 0.012 0.000 0.839 453 D CB 2.031 42.831 40.800 -0.000 0.000 1.283 453 D HN 0.261 nan 8.370 nan 0.000 0.477 454 L N 0.923 122.163 121.223 0.029 0.000 2.005 454 L HA -0.014 2.516 4.340 -3.017 0.000 0.207 454 L C 1.934 178.823 176.870 0.032 0.000 1.072 454 L CA 1.301 56.161 54.840 0.034 0.000 0.744 454 L CB -0.163 41.917 42.059 0.036 0.000 0.895 454 L HN 0.500 nan 8.230 nan 0.000 0.433 455 G N -0.087 108.730 108.800 0.028 0.000 3.397 455 G HA2 0.077 2.227 3.960 -3.017 0.000 0.248 455 G HA3 0.077 2.227 3.960 -3.017 0.000 0.248 455 G C 0.040 174.952 174.900 0.019 0.000 1.284 455 G CA 0.206 45.321 45.100 0.024 0.000 1.570 455 G HN 0.359 nan 8.290 nan 0.000 0.587 456 S N -0.728 114.986 115.700 0.022 0.000 2.561 456 S HA 0.345 3.005 4.470 -3.017 0.000 0.303 456 S C -0.843 173.772 174.600 0.025 0.000 1.110 456 S CA -0.912 57.298 58.200 0.017 0.000 1.034 456 S CB 2.369 65.574 63.200 0.008 0.000 1.010 456 S HN 0.056 nan 8.310 nan 0.000 0.482 457 D N 2.882 123.295 120.400 0.020 0.000 2.455 457 D HA 0.008 2.838 4.640 -3.017 0.000 0.265 457 D C 1.361 177.680 176.300 0.032 0.000 1.284 457 D CA 0.097 54.112 54.000 0.025 0.000 0.944 457 D CB 0.486 41.297 40.800 0.019 0.000 1.121 457 D HN 0.339 nan 8.370 nan 0.000 0.525 458 V N 5.454 125.397 119.914 0.048 0.000 2.277 458 V HA -0.307 2.003 4.120 -3.017 0.000 0.253 458 V C 2.583 178.713 176.094 0.061 0.000 1.067 458 V CA 2.423 64.765 62.300 0.071 0.000 1.047 458 V CB -0.492 31.386 31.823 0.091 0.000 0.649 458 V HN 0.634 nan 8.190 nan 0.000 0.447 459 R N -0.416 120.113 120.500 0.048 0.000 2.092 459 R HA -0.124 2.406 4.340 -3.017 0.000 0.226 459 R C 2.353 178.669 176.300 0.027 0.000 1.140 459 R CA 1.964 58.088 56.100 0.040 0.000 0.910 459 R CB -0.462 29.858 30.300 0.033 0.000 0.822 459 R HN 0.429 nan 8.270 nan 0.000 0.433 460 L N 0.681 121.915 121.223 0.018 0.000 2.187 460 L HA -0.174 2.356 4.340 -3.017 0.000 0.213 460 L C 2.668 179.538 176.870 -0.000 0.000 1.100 460 L CA 1.116 55.962 54.840 0.009 0.000 0.765 460 L CB -0.492 41.572 42.059 0.008 0.000 0.904 460 L HN 0.452 nan 8.230 nan 0.000 0.437 461 A N 0.370 123.188 122.820 -0.003 0.000 1.877 461 A HA -0.248 2.262 4.320 -3.017 0.000 0.216 461 A C 2.423 179.980 177.584 -0.045 0.000 1.186 461 A CA 1.861 53.881 52.037 -0.028 0.000 0.620 461 A CB -0.487 18.494 19.000 -0.032 0.000 0.822 461 A HN 0.384 nan 8.150 nan 0.000 0.443 462 R N -0.094 120.392 120.500 -0.024 0.000 2.115 462 R HA -0.061 2.469 4.340 -3.017 0.000 0.226 462 R C 2.182 178.481 176.300 -0.002 0.000 1.100 462 R CA 1.595 57.684 56.100 -0.018 0.000 0.980 462 R CB -0.243 30.082 30.300 0.042 0.000 0.875 462 R HN 0.517 nan 8.270 nan 0.000 0.445 463 K N 0.616 121.019 120.400 0.006 0.000 2.097 463 K HA -0.118 2.392 4.320 -3.017 0.000 0.206 463 K C 1.576 178.176 176.600 -0.001 0.000 1.049 463 K CA 1.421 57.713 56.287 0.008 0.000 0.933 463 K CB -0.031 32.475 32.500 0.010 0.000 0.717 463 K HN 0.283 nan 8.250 nan 0.000 0.442 464 L N 0.367 121.585 121.223 -0.009 0.000 2.554 464 L HA 0.037 2.567 4.340 -3.017 0.000 0.226 464 L C 2.245 179.103 176.870 -0.020 0.000 1.137 464 L CA 0.195 55.027 54.840 -0.013 0.000 0.863 464 L CB -0.154 41.896 42.059 -0.015 0.000 0.985 464 L HN 0.327 nan 8.230 nan 0.000 0.451 465 E N 1.687 121.870 120.200 -0.027 0.000 2.011 465 E HA -0.154 2.386 4.350 -3.017 0.000 0.191 465 E C 2.240 178.834 176.600 -0.010 0.000 0.979 465 E CA 0.974 57.356 56.400 -0.030 0.000 0.822 465 E CB -0.005 29.663 29.700 -0.053 0.000 0.782 465 E HN 0.456 nan 8.360 nan 0.000 0.459 466 I N -0.701 119.870 120.570 0.002 0.000 2.502 466 I HA -0.254 2.106 4.170 -3.017 0.000 0.258 466 I C 2.268 178.389 176.117 0.008 0.000 1.172 466 I CA 1.156 62.462 61.300 0.011 0.000 1.430 466 I CB -0.604 37.409 38.000 0.020 0.000 1.086 466 I HN 0.077 nan 8.210 nan 0.000 0.440 467 R N 1.347 121.849 120.500 0.004 0.000 2.062 467 R HA -0.005 2.525 4.340 -3.017 0.000 0.229 467 R C 2.517 178.817 176.300 0.001 0.000 1.128 467 R CA 1.009 57.111 56.100 0.003 0.000 0.960 467 R CB -0.293 30.008 30.300 0.002 0.000 0.855 467 R HN 0.388 nan 8.270 nan 0.000 0.432 468 R N 0.785 121.283 120.500 -0.003 0.000 2.133 468 R HA -0.206 2.324 4.340 -3.017 0.000 0.247 468 R C 2.090 178.390 176.300 -0.000 0.000 1.151 468 R CA 1.791 57.889 56.100 -0.004 0.000 0.971 468 R CB -0.163 30.132 30.300 -0.009 0.000 0.866 468 R HN 0.410 nan 8.270 nan 0.000 0.447 469 E N 0.398 120.600 120.200 0.003 0.000 2.028 469 E HA -0.127 2.413 4.350 -3.017 0.000 0.190 469 E C 2.126 178.731 176.600 0.008 0.000 0.984 469 E CA 0.847 57.251 56.400 0.006 0.000 0.800 469 E CB -0.102 29.604 29.700 0.011 0.000 0.758 469 E HN 0.234 nan 8.360 nan 0.000 0.448 470 L N 1.305 122.533 121.223 0.009 0.000 2.051 470 L HA -0.292 2.237 4.340 -3.017 0.000 0.214 470 L C 2.669 179.545 176.870 0.009 0.000 1.076 470 L CA 1.432 56.278 54.840 0.010 0.000 0.758 470 L CB -0.495 41.569 42.059 0.010 0.000 0.890 470 L HN 0.265 nan 8.230 nan 0.000 0.433 471 E N 0.185 120.389 120.200 0.007 0.000 2.007 471 E HA -0.316 2.224 4.350 -3.017 0.000 0.203 471 E C 2.189 178.793 176.600 0.007 0.000 1.020 471 E CA 1.420 57.824 56.400 0.006 0.000 0.845 471 E CB -0.153 29.549 29.700 0.004 0.000 0.779 471 E HN 0.400 nan 8.360 nan 0.000 0.466 472 A N 2.001 124.825 122.820 0.006 0.000 1.923 472 A HA -0.304 2.206 4.320 -3.017 0.000 0.222 472 A C 2.362 179.951 177.584 0.008 0.000 1.258 472 A CA 2.734 54.774 52.037 0.005 0.000 0.670 472 A CB -1.519 17.483 19.000 0.004 0.000 0.834 472 A HN 0.682 nan 8.150 nan 0.000 0.470 473 I N -2.506 118.070 120.570 0.009 0.000 2.361 473 I HA -0.236 2.124 4.170 -3.017 0.000 0.251 473 I C 1.804 177.931 176.117 0.016 0.000 1.133 473 I CA 2.564 63.871 61.300 0.011 0.000 1.413 473 I CB -0.648 37.359 38.000 0.011 0.000 1.073 473 I HN 0.318 nan 8.210 nan 0.000 0.424 474 N N 1.215 119.925 118.700 0.017 0.000 2.171 474 N HA -0.163 2.767 4.740 -3.017 0.000 0.184 474 N C 1.940 177.465 175.510 0.025 0.000 1.021 474 N CA 1.230 54.294 53.050 0.024 0.000 0.854 474 N CB -0.191 38.308 38.487 0.020 0.000 0.994 474 N HN 0.288 nan 8.380 nan 0.000 0.426 475 R N 1.579 122.090 120.500 0.018 0.000 2.096 475 R HA -0.104 2.426 4.340 -3.017 0.000 0.240 475 R C 1.577 177.888 176.300 0.018 0.000 1.139 475 R CA 1.632 57.742 56.100 0.016 0.000 0.952 475 R CB -0.700 29.606 30.300 0.010 0.000 0.854 475 R HN 0.202 nan 8.270 nan 0.000 0.436 476 N N 0.349 119.057 118.700 0.014 0.000 2.018 476 N HA -0.189 2.741 4.740 -3.017 0.000 0.196 476 N C 1.697 177.216 175.510 0.014 0.000 1.043 476 N CA 1.437 54.492 53.050 0.009 0.000 0.856 476 N CB -0.404 38.085 38.487 0.004 0.000 1.042 476 N HN 0.191 nan 8.380 nan 0.000 0.423 477 R N 1.032 121.548 120.500 0.027 0.000 2.105 477 R HA -0.105 2.425 4.340 -3.017 0.000 0.239 477 R C 1.052 177.412 176.300 0.101 0.000 1.135 477 R CA 1.327 57.456 56.100 0.047 0.000 0.967 477 R CB -0.467 29.878 30.300 0.074 0.000 0.861 477 R HN 0.290 nan 8.270 nan 0.000 0.442 478 D N -0.464 119.989 120.400 0.088 0.000 2.075 478 D HA -0.169 2.661 4.640 -3.017 0.000 0.196 478 D C 1.877 178.228 176.300 0.085 0.000 0.985 478 D CA 1.567 55.626 54.000 0.100 0.000 0.834 478 D CB -0.355 40.478 40.800 0.054 0.000 0.987 478 D HN 0.155 nan 8.370 nan 0.000 0.452 479 R N 0.546 121.073 120.500 0.045 0.000 2.165 479 R HA -0.199 2.331 4.340 -3.017 0.000 0.254 479 R C 1.904 178.219 176.300 0.024 0.000 1.153 479 R CA 1.483 57.600 56.100 0.029 0.000 0.971 479 R CB -0.567 29.741 30.300 0.014 0.000 0.878 479 R HN 0.243 nan 8.270 nan 0.000 0.449 480 L N -1.043 120.185 121.223 0.008 0.000 2.270 480 L HA -0.023 2.507 4.340 -3.017 0.000 0.210 480 L C 2.515 179.355 176.870 -0.049 0.000 1.104 480 L CA 0.521 55.340 54.840 -0.035 0.000 0.804 480 L CB -0.504 41.511 42.059 -0.073 0.000 0.937 480 L HN 0.301 nan 8.230 nan 0.000 0.450 481 H N 0.804 119.874 119.070 0.000 0.000 2.326 481 H HA -0.013 2.733 4.556 -3.017 0.000 0.301 481 H C 0.820 176.148 175.328 -0.000 0.000 1.081 481 H CA 0.758 56.806 56.048 0.000 0.000 1.334 481 H CB 0.031 29.793 29.762 0.000 0.000 1.385 481 H HN 0.402 nan 8.280 nan 0.000 0.504 482 E N 0.000 120.281 120.200 0.135 0.000 2.725 482 E HA 0.000 2.540 4.350 -3.017 0.000 0.291 482 E CA 0.000 56.442 56.400 0.069 0.000 0.976 482 E CB 0.000 29.729 29.700 0.048 0.000 0.812 482 E HN 0.000 nan 8.360 nan 0.000 0.440