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 3hgr_1_B DATA FIRST_RESID 10 DATA SEQUENCE QVDKIPLMSP CKMGKFELCH RVVLAPLTRQ RSYGYIPQPH AILHYSQRST DATA SEQUENCE NGGLLIGEAT VISETGIGYK DVPGIWTKEQ VEAWKPIVDA VHAKGGIFFC DATA SEQUENCE QIWHVGRVSN KDFQPNGEDP ISCTDRGLTP QIMSNGIDIA HFTRPRRLTT DATA SEQUENCE DEIPQIVNEF RVAARNAIEA GFDGVEIHGA HGYLIDQFMK DQVNDRSDKY DATA SEQUENCE GGSLENRCRF ALEIVEAVAN EIGSDRVGIR ISPFAHYNEA GDTNPTALGL DATA SEQUENCE YMVESLNKYD LAYCHVVEPR XXXXXXXXXX TESLVPMRKA YKGTFIVAGG DATA SEQUENCE YDREDGNRAL IEDRADLVAY GRLFISNPDL PKRFELNAPL NKYNRDTFYT DATA SEQUENCE SDPIVGYTDY PFLE 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 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 175.999 176.000 -0.002 0.000 1.003 10 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 10 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 11 V N 1.049 120.962 119.914 -0.002 0.000 2.680 11 V HA 0.686 4.806 4.120 -0.000 0.000 0.309 11 V C -0.824 175.268 176.094 -0.004 0.000 1.052 11 V CA -0.618 61.679 62.300 -0.004 0.000 0.908 11 V CB 1.827 33.647 31.823 -0.005 0.000 1.001 11 V HN 0.683 nan 8.190 nan 0.000 0.431 12 D N 3.505 123.902 120.400 -0.005 0.000 2.533 12 D HA 0.107 4.747 4.640 -0.000 0.000 0.236 12 D C 0.191 176.487 176.300 -0.005 0.000 1.137 12 D CA 0.624 54.621 54.000 -0.005 0.000 0.867 12 D CB 0.861 41.657 40.800 -0.007 0.000 1.170 12 D HN 0.598 nan 8.370 nan 0.000 0.474 13 K N 1.374 121.773 120.400 -0.002 0.000 2.380 13 K HA 0.265 4.585 4.320 -0.000 0.000 0.267 13 K C 0.509 177.107 176.600 -0.003 0.000 0.990 13 K CA 0.024 56.311 56.287 0.000 0.000 0.946 13 K CB 0.525 33.028 32.500 0.006 0.000 0.937 13 K HN 0.473 nan 8.250 nan 0.000 0.491 14 I N -1.536 119.032 120.570 -0.003 0.000 2.828 14 I HA 0.324 4.494 4.170 -0.000 0.000 0.302 14 I C -2.366 173.753 176.117 0.003 0.000 1.101 14 I CA -2.879 58.415 61.300 -0.010 0.000 1.031 14 I CB 2.069 40.051 38.000 -0.031 0.000 1.231 14 I HN 0.259 nan 8.210 nan 0.000 0.427 15 P HA -0.113 nan 4.420 nan 0.000 0.216 15 P C 1.708 179.026 177.300 0.030 0.000 1.150 15 P CA 1.375 64.485 63.100 0.016 0.000 0.843 15 P CB 0.159 31.865 31.700 0.011 0.000 0.787 16 L N -2.045 119.193 121.223 0.024 0.000 2.187 16 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 16 L C 1.981 178.902 176.870 0.084 0.000 1.100 16 L CA 1.095 55.968 54.840 0.056 0.000 0.765 16 L CB -0.558 41.520 42.059 0.031 0.000 0.904 16 L HN 0.041 nan 8.230 nan 0.000 0.437 17 M N -1.429 118.206 119.600 0.059 0.000 2.428 17 M HA 0.114 4.594 4.480 -0.000 0.000 0.239 17 M C 0.690 177.051 176.300 0.102 0.000 1.121 17 M CA 0.259 55.607 55.300 0.079 0.000 1.019 17 M CB -0.332 32.287 32.600 0.031 0.000 1.485 17 M HN -0.033 nan 8.290 nan 0.000 0.484 18 S N 2.123 117.872 115.700 0.081 0.000 2.549 18 S HA 0.264 4.734 4.470 -0.000 0.000 0.279 18 S C -2.146 172.496 174.600 0.071 0.000 1.321 18 S CA -0.825 57.413 58.200 0.064 0.000 1.054 18 S CB 0.436 63.663 63.200 0.044 0.000 0.899 18 S HN 0.109 nan 8.310 nan 0.000 0.497 19 P HA 0.192 nan 4.420 nan 0.000 0.271 19 P C -0.725 176.596 177.300 0.035 0.000 1.233 19 P CA -0.312 62.815 63.100 0.045 0.000 0.789 19 P CB 0.434 32.158 31.700 0.039 0.000 0.951 20 C N 0.993 120.308 119.300 0.026 0.000 2.891 20 C HA 0.718 5.178 4.460 -0.000 0.000 0.342 20 C C -0.471 174.542 174.990 0.038 0.000 1.126 20 C CA -0.323 58.711 59.018 0.026 0.000 1.322 20 C CB 0.378 28.126 27.740 0.014 0.000 1.763 20 C HN 0.629 nan 8.230 nan 0.000 0.491 21 K N 4.881 125.310 120.400 0.047 0.000 2.211 21 K HA 0.765 5.085 4.320 -0.000 0.000 0.275 21 K C -0.558 176.094 176.600 0.087 0.000 1.024 21 K CA -0.147 56.180 56.287 0.066 0.000 0.887 21 K CB 1.412 33.942 32.500 0.050 0.000 1.084 21 K HN 0.960 nan 8.250 nan 0.000 0.463 22 M N 3.493 123.175 119.600 0.138 0.000 2.007 22 M HA 0.449 4.929 4.480 -0.000 0.000 0.285 22 M C 0.620 177.083 176.300 0.271 0.000 0.893 22 M CA 0.648 56.054 55.300 0.178 0.000 0.925 22 M CB 0.537 33.224 32.600 0.144 0.000 1.568 22 M HN 1.250 nan 8.290 nan 0.000 0.414 23 G N 5.123 114.040 108.800 0.194 0.000 2.591 23 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.298 23 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.298 23 G C 0.188 175.134 174.900 0.076 0.000 1.195 23 G CA 0.698 45.900 45.100 0.170 0.000 0.989 23 G HN 0.932 nan 8.290 nan 0.000 0.551 24 K N 0.173 120.544 120.400 -0.049 0.000 2.487 24 K HA 0.389 4.709 4.320 -0.000 0.000 0.192 24 K C 0.196 176.541 176.600 -0.425 0.000 1.027 24 K CA 0.389 56.499 56.287 -0.295 0.000 1.054 24 K CB 0.077 32.292 32.500 -0.475 0.000 0.824 24 K HN 0.266 nan 8.250 nan 0.000 0.510 25 F N 1.823 121.825 119.950 0.086 0.000 2.450 25 F HA 0.301 4.828 4.527 -0.000 0.000 0.332 25 F C 0.381 176.205 175.800 0.041 0.000 1.093 25 F CA -1.218 56.827 58.000 0.075 0.000 1.003 25 F CB 1.232 40.299 39.000 0.110 0.000 1.151 25 F HN -0.143 nan 8.300 nan 0.000 0.474 26 E N 4.129 124.454 120.200 0.208 0.000 2.028 26 E HA 0.301 4.651 4.350 -0.000 0.000 0.266 26 E C -0.622 176.033 176.600 0.092 0.000 0.962 26 E CA -0.234 56.233 56.400 0.113 0.000 0.784 26 E CB 0.981 30.722 29.700 0.070 0.000 1.114 26 E HN 0.522 nan 8.360 nan 0.000 0.414 27 L N 1.239 122.495 121.223 0.055 0.000 2.371 27 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 27 L C 1.171 178.019 176.870 -0.037 0.000 1.124 27 L CA -0.590 54.233 54.840 -0.028 0.000 0.816 27 L CB 1.057 43.069 42.059 -0.080 0.000 1.129 27 L HN 0.531 nan 8.230 nan 0.000 0.448 28 C N 0.492 119.743 119.300 -0.082 0.000 2.696 28 C HA 0.122 4.582 4.460 -0.000 0.000 0.264 28 C C 0.589 175.622 174.990 0.071 0.000 1.288 28 C CA -0.066 58.951 59.018 -0.001 0.000 1.717 28 C CB -1.570 26.195 27.740 0.041 0.000 1.893 28 C HN 0.954 nan 8.230 nan 0.000 0.577 29 H N -3.905 115.185 119.070 0.033 0.000 2.932 29 H HA 0.487 5.043 4.556 -0.000 0.000 0.307 29 H C -0.122 175.222 175.328 0.026 0.000 1.391 29 H CA -0.860 55.208 56.048 0.032 0.000 1.130 29 H CB 0.347 30.132 29.762 0.039 0.000 1.836 29 H HN -0.231 nan 8.280 nan 0.000 0.522 30 R N 0.191 120.860 120.500 0.282 0.000 2.472 30 R HA 0.352 4.692 4.340 -0.000 0.000 0.279 30 R C -0.563 175.880 176.300 0.239 0.000 0.953 30 R CA -0.058 56.139 56.100 0.162 0.000 1.088 30 R CB 0.882 31.228 30.300 0.078 0.000 1.197 30 R HN 0.316 nan 8.270 nan 0.000 0.536 31 V N 2.063 122.258 119.914 0.468 0.000 2.405 31 V HA 0.137 4.257 4.120 -0.000 0.000 0.264 31 V C 0.080 176.427 176.094 0.421 0.000 1.048 31 V CA -0.297 62.247 62.300 0.407 0.000 0.966 31 V CB 1.162 33.088 31.823 0.171 0.000 1.015 31 V HN -0.092 nan 8.190 nan 0.000 0.477 32 V N 6.346 126.445 119.914 0.309 0.000 2.532 32 V HA 0.381 4.501 4.120 -0.000 0.000 0.295 32 V C -0.057 176.210 176.094 0.289 0.000 1.041 32 V CA -0.795 61.605 62.300 0.166 0.000 0.926 32 V CB 1.824 33.576 31.823 -0.120 0.000 0.992 32 V HN 0.696 nan 8.190 nan 0.000 0.457 33 L N 5.078 126.352 121.223 0.086 0.000 2.325 33 L HA 0.662 5.002 4.340 -0.000 0.000 0.284 33 L C 0.619 177.461 176.870 -0.047 0.000 1.089 33 L CA 0.295 55.014 54.840 -0.202 0.000 0.836 33 L CB 0.221 41.864 42.059 -0.692 0.000 1.184 33 L HN 0.802 nan 8.230 nan 0.000 0.444 34 A N 6.756 129.600 122.820 0.041 0.000 2.406 34 A HA 0.538 4.857 4.320 -0.000 0.000 0.243 34 A C -2.322 175.269 177.584 0.013 0.000 1.082 34 A CA -1.073 50.998 52.037 0.057 0.000 0.786 34 A CB -0.642 18.395 19.000 0.061 0.000 1.029 34 A HN 0.710 nan 8.150 nan 0.000 0.495 35 P HA 0.337 nan 4.420 nan 0.000 0.267 35 P C -1.136 176.140 177.300 -0.040 0.000 1.205 35 P CA 0.506 63.597 63.100 -0.015 0.000 0.765 35 P CB 0.317 31.950 31.700 -0.112 0.000 0.828 36 L N 2.849 124.072 121.223 0.000 0.000 2.457 36 L HA 0.268 4.608 4.340 -0.000 0.000 0.266 36 L C 0.009 176.872 176.870 -0.011 0.000 0.979 36 L CA -0.422 54.388 54.840 -0.050 0.000 0.857 36 L CB 1.671 43.671 42.059 -0.098 0.000 1.213 36 L HN 0.177 nan 8.230 nan 0.000 0.418 37 T N 3.124 117.659 114.554 -0.032 0.000 2.769 37 T HA 0.169 4.519 4.350 -0.000 0.000 0.293 37 T C 1.020 175.774 174.700 0.090 0.000 0.931 37 T CA -0.226 61.886 62.100 0.020 0.000 1.139 37 T CB 0.451 69.284 68.868 -0.059 0.000 0.881 37 T HN 0.398 nan 8.240 nan 0.000 0.532 38 R N 2.064 122.609 120.500 0.075 0.000 2.404 38 R HA 0.144 4.484 4.340 -0.000 0.000 0.237 38 R C 0.734 177.070 176.300 0.059 0.000 0.907 38 R CA -0.108 56.006 56.100 0.024 0.000 1.063 38 R CB 0.016 30.286 30.300 -0.049 0.000 1.134 38 R HN 0.742 nan 8.270 nan 0.000 0.529 39 Q N 0.740 120.611 119.800 0.119 0.000 2.434 39 Q HA -0.220 4.120 4.340 -0.000 0.000 0.299 39 Q C -0.124 175.908 176.000 0.054 0.000 1.286 39 Q CA 0.733 56.621 55.803 0.142 0.000 0.872 39 Q CB -1.201 27.678 28.738 0.234 0.000 1.193 39 Q HN 0.298 nan 8.270 nan 0.000 0.466 40 R N -0.496 119.951 120.500 -0.088 0.000 2.613 40 R HA 0.186 4.526 4.340 -0.000 0.000 0.361 40 R C -0.226 175.859 176.300 -0.358 0.000 1.072 40 R CA -0.092 55.867 56.100 -0.235 0.000 1.089 40 R CB 0.973 30.933 30.300 -0.568 0.000 1.343 40 R HN -0.075 nan 8.270 nan 0.000 0.571 41 S N 1.436 117.022 115.700 -0.190 0.000 2.891 41 S HA 0.239 4.709 4.470 -0.000 0.000 0.186 41 S C -0.416 174.108 174.600 -0.127 0.000 1.401 41 S CA -0.609 57.454 58.200 -0.229 0.000 1.035 41 S CB -0.133 63.009 63.200 -0.098 0.000 1.293 41 S HN 0.241 nan 8.310 nan 0.000 0.493 42 Y N 0.956 121.217 120.300 -0.065 0.000 2.944 42 Y HA -0.004 4.546 4.550 -0.000 0.000 0.340 42 Y C 1.683 177.483 175.900 -0.166 0.000 1.275 42 Y CA 0.306 58.341 58.100 -0.108 0.000 1.590 42 Y CB -0.035 38.392 38.460 -0.055 0.000 1.218 42 Y HN 0.752 nan 8.280 nan 0.000 0.576 43 G N 2.712 111.438 108.800 -0.124 0.000 2.203 43 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.263 43 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.263 43 G C -0.226 174.582 174.900 -0.153 0.000 1.012 43 G CA 0.193 45.172 45.100 -0.203 0.000 0.749 43 G HN 0.933 nan 8.290 nan 0.000 0.512 44 Y N -3.319 117.021 120.300 0.067 0.000 4.177 44 Y HA -0.207 4.343 4.550 -0.000 0.000 0.227 44 Y C 1.016 176.854 175.900 -0.103 0.000 1.154 44 Y CA 0.819 58.931 58.100 0.021 0.000 1.887 44 Y CB -2.271 36.227 38.460 0.063 0.000 1.594 44 Y HN 0.560 nan 8.280 nan 0.000 0.668 45 I N 1.166 121.704 120.570 -0.054 0.000 2.436 45 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 45 I C -2.274 173.672 176.117 -0.285 0.000 1.010 45 I CA -2.185 59.016 61.300 -0.166 0.000 1.098 45 I CB 2.277 40.200 38.000 -0.128 0.000 1.266 45 I HN -0.314 nan 8.210 nan 0.000 0.434 46 P HA 0.006 nan 4.420 nan 0.000 0.265 46 P C -1.038 175.989 177.300 -0.454 0.000 1.193 46 P CA 0.003 62.725 63.100 -0.631 0.000 0.765 46 P CB 0.421 31.453 31.700 -1.114 0.000 0.823 47 Q N 4.324 123.829 119.800 -0.492 0.000 2.297 47 Q HA 0.281 4.621 4.340 -0.000 0.000 0.268 47 Q C -1.719 173.960 176.000 -0.535 0.000 1.045 47 Q CA -2.097 53.352 55.803 -0.589 0.000 0.861 47 Q CB 0.178 28.312 28.738 -1.007 0.000 1.344 47 Q HN 0.199 nan 8.270 nan 0.000 0.452 48 P HA -0.230 nan 4.420 nan 0.000 0.216 48 P C 0.820 178.055 177.300 -0.108 0.000 1.157 48 P CA 1.991 64.981 63.100 -0.184 0.000 0.880 48 P CB -0.013 31.633 31.700 -0.090 0.000 0.791 49 H N -1.390 117.718 119.070 0.063 0.000 2.518 49 H HA 0.060 4.616 4.556 -0.000 0.000 0.292 49 H C 1.665 177.162 175.328 0.282 0.000 1.068 49 H CA 1.089 57.233 56.048 0.159 0.000 1.275 49 H CB -1.372 28.491 29.762 0.168 0.000 1.375 49 H HN 0.076 nan 8.280 nan 0.000 0.563 50 A N 1.297 124.265 122.820 0.246 0.000 2.014 50 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 50 A C 2.309 180.129 177.584 0.393 0.000 1.163 50 A CA 1.047 53.346 52.037 0.436 0.000 0.652 50 A CB -0.650 18.541 19.000 0.318 0.000 0.808 50 A HN 0.461 nan 8.150 nan 0.000 0.449 51 I N -0.849 119.847 120.570 0.211 0.000 2.179 51 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 51 I C 2.440 178.648 176.117 0.151 0.000 1.088 51 I CA 1.335 62.732 61.300 0.162 0.000 1.357 51 I CB -0.308 37.740 38.000 0.081 0.000 1.051 51 I HN 0.413 nan 8.210 nan 0.000 0.409 52 L N 0.453 121.764 121.223 0.148 0.000 2.056 52 L HA -0.238 4.102 4.340 -0.000 0.000 0.207 52 L C 2.592 179.494 176.870 0.055 0.000 1.078 52 L CA 1.995 56.900 54.840 0.108 0.000 0.749 52 L CB -0.867 41.268 42.059 0.127 0.000 0.901 52 L HN 0.222 nan 8.230 nan 0.000 0.433 53 H N -1.339 117.698 119.070 -0.055 0.000 2.251 53 H HA -0.254 4.302 4.556 0.000 0.000 0.294 53 H C 1.969 177.128 175.328 -0.280 0.000 1.078 53 H CA 2.722 58.574 56.048 -0.328 0.000 1.246 53 H CB -0.574 28.772 29.762 -0.694 0.000 1.358 53 H HN 0.440 nan 8.280 nan 0.000 0.488 54 Y N -0.350 119.842 120.300 -0.180 0.000 2.274 54 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 54 Y C 3.187 178.923 175.900 -0.273 0.000 1.145 54 Y CA 1.360 59.293 58.100 -0.279 0.000 1.203 54 Y CB -0.578 37.781 38.460 -0.168 0.000 0.984 54 Y HN 0.294 nan 8.280 nan 0.000 0.533 55 S N -0.128 115.565 115.700 -0.012 0.000 2.368 55 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 55 S C 1.903 176.499 174.600 -0.007 0.000 1.030 55 S CA 1.532 59.722 58.200 -0.016 0.000 0.999 55 S CB -0.227 62.987 63.200 0.023 0.000 0.844 55 S HN 0.565 nan 8.310 nan 0.000 0.459 56 Q N -0.093 119.698 119.800 -0.015 0.000 2.170 56 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 56 Q C 1.696 177.734 176.000 0.064 0.000 0.976 56 Q CA 1.071 56.950 55.803 0.127 0.000 0.858 56 Q CB -0.084 28.690 28.738 0.059 0.000 0.907 56 Q HN 0.495 nan 8.270 nan 0.000 0.433 57 R N -0.168 120.259 120.500 -0.122 0.000 2.466 57 R HA 0.195 4.535 4.340 -0.000 0.000 0.279 57 R C -0.004 176.280 176.300 -0.027 0.000 0.976 57 R CA -0.188 55.867 56.100 -0.074 0.000 1.081 57 R CB 0.786 30.876 30.300 -0.349 0.000 1.215 57 R HN -0.108 nan 8.270 nan 0.000 0.546 58 S N 0.867 116.557 115.700 -0.016 0.000 2.541 58 S HA 0.363 4.833 4.470 -0.000 0.000 0.283 58 S C -0.053 174.583 174.600 0.061 0.000 1.196 58 S CA -0.392 57.800 58.200 -0.014 0.000 1.062 58 S CB 0.984 64.148 63.200 -0.060 0.000 1.009 58 S HN 0.306 nan 8.310 nan 0.000 0.502 59 T N 1.587 116.194 114.554 0.088 0.000 2.883 59 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 59 T C -0.628 174.127 174.700 0.092 0.000 1.117 59 T CA -1.030 61.144 62.100 0.124 0.000 1.006 59 T CB 0.968 69.985 68.868 0.248 0.000 1.191 59 T HN 0.478 nan 8.240 nan 0.000 0.508 60 N N 0.376 119.128 118.700 0.087 0.000 2.416 60 N HA 0.416 5.156 4.740 -0.000 0.000 0.265 60 N C 1.410 176.946 175.510 0.044 0.000 1.195 60 N CA 1.487 54.575 53.050 0.064 0.000 0.943 60 N CB -0.410 38.112 38.487 0.059 0.000 1.115 60 N HN 1.330 nan 8.380 nan 0.000 0.481 61 G N 1.934 110.744 108.800 0.017 0.000 2.143 61 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.249 61 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.249 61 G C 0.365 175.152 174.900 -0.189 0.000 0.981 61 G CA -0.019 45.059 45.100 -0.036 0.000 0.665 61 G HN 0.882 nan 8.290 nan 0.000 0.528 62 G N -0.544 108.149 108.800 -0.178 0.000 2.356 62 G HA2 0.664 4.624 3.960 -0.000 0.000 0.298 62 G HA3 0.664 4.624 3.960 -0.000 0.000 0.298 62 G C -0.191 174.622 174.900 -0.146 0.000 1.145 62 G CA -0.500 44.412 45.100 -0.314 0.000 0.850 62 G HN 0.897 nan 8.290 nan 0.000 0.487 63 L N 2.284 123.405 121.223 -0.169 0.000 2.319 63 L HA 0.602 4.942 4.340 -0.000 0.000 0.280 63 L C -0.825 175.998 176.870 -0.078 0.000 1.099 63 L CA -0.466 54.285 54.840 -0.148 0.000 0.828 63 L CB 0.966 42.870 42.059 -0.259 0.000 1.150 63 L HN 0.264 nan 8.230 nan 0.000 0.442 64 L N 6.586 127.798 121.223 -0.017 0.000 2.362 64 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 64 L C -0.559 176.463 176.870 0.254 0.000 0.998 64 L CA -0.011 54.852 54.840 0.038 0.000 0.820 64 L CB 1.792 43.789 42.059 -0.104 0.000 1.270 64 L HN 0.467 nan 8.230 nan 0.000 0.415 65 I N 2.431 123.116 120.570 0.193 0.000 2.382 65 I HA 0.459 4.629 4.170 -0.000 0.000 0.286 65 I C 0.901 177.195 176.117 0.295 0.000 1.002 65 I CA -0.563 60.864 61.300 0.211 0.000 1.135 65 I CB 1.652 39.709 38.000 0.095 0.000 1.288 65 I HN 0.693 nan 8.210 nan 0.000 0.448 66 G N 4.927 113.886 108.800 0.265 0.000 2.667 66 G HA2 0.145 4.105 3.960 -0.000 0.000 0.250 66 G HA3 0.145 4.105 3.960 -0.000 0.000 0.250 66 G C 0.021 175.051 174.900 0.216 0.000 1.212 66 G CA -0.471 44.814 45.100 0.309 0.000 0.874 66 G HN 0.776 nan 8.290 nan 0.000 0.561 67 E N -0.244 120.172 120.200 0.361 0.000 2.404 67 E HA 0.386 4.735 4.350 -0.000 0.000 0.261 67 E C 0.391 177.035 176.600 0.073 0.000 1.074 67 E CA -0.264 56.252 56.400 0.193 0.000 0.917 67 E CB 0.631 30.498 29.700 0.280 0.000 0.965 67 E HN 0.539 nan 8.360 nan 0.000 0.433 68 A N 3.250 125.986 122.820 -0.140 0.000 2.573 68 A HA 0.057 4.377 4.320 -0.000 0.000 0.250 68 A C -0.106 177.589 177.584 0.185 0.000 1.049 68 A CA 0.326 52.218 52.037 -0.242 0.000 0.767 68 A CB -0.342 17.894 19.000 -1.273 0.000 0.965 68 A HN 0.572 nan 8.150 nan 0.000 0.514 69 T N 3.415 118.147 114.554 0.298 0.000 2.770 69 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 69 T C 0.103 175.054 174.700 0.420 0.000 0.988 69 T CA -0.464 61.869 62.100 0.389 0.000 0.957 69 T CB 1.168 70.155 68.868 0.197 0.000 0.930 69 T HN 0.453 nan 8.240 nan 0.000 0.443 70 V N 5.347 125.518 119.914 0.428 0.000 2.585 70 V HA 0.078 4.198 4.120 -0.000 0.000 0.296 70 V C 1.786 178.050 176.094 0.283 0.000 1.035 70 V CA 0.103 62.555 62.300 0.253 0.000 1.084 70 V CB 0.110 32.046 31.823 0.189 0.000 0.953 70 V HN 0.919 nan 8.190 nan 0.000 0.483 71 I N 2.033 122.628 120.570 0.041 0.000 3.226 71 I HA 0.215 4.385 4.170 -0.000 0.000 0.277 71 I C 0.780 176.853 176.117 -0.074 0.000 1.243 71 I CA 0.508 61.810 61.300 0.003 0.000 1.459 71 I CB 0.178 38.013 38.000 -0.276 0.000 1.093 71 I HN 0.691 nan 8.210 nan 0.000 0.453 72 S N -0.750 114.692 115.700 -0.429 0.000 2.615 72 S HA 0.287 4.757 4.470 -0.000 0.000 0.268 72 S C 0.151 173.890 174.600 -1.434 0.000 1.146 72 S CA -0.773 56.818 58.200 -1.016 0.000 0.818 72 S CB 1.424 64.308 63.200 -0.526 0.000 1.111 72 S HN 0.227 nan 8.310 nan 0.000 0.465 73 E N 0.861 120.172 120.200 -1.480 0.000 2.130 73 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 73 E C 1.798 178.051 176.600 -0.578 0.000 0.998 73 E CA 1.935 57.775 56.400 -0.934 0.000 0.806 73 E CB -0.430 28.960 29.700 -0.515 0.000 0.738 73 E HN 0.857 nan 8.360 nan 0.000 0.459 74 T N -2.467 111.809 114.554 -0.463 0.000 3.085 74 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 74 T C 1.703 176.036 174.700 -0.613 0.000 1.127 74 T CA 0.708 62.616 62.100 -0.320 0.000 1.103 74 T CB 0.114 68.937 68.868 -0.075 0.000 0.921 74 T HN 0.146 nan 8.240 nan 0.000 0.510 75 G N 0.929 109.160 108.800 -0.947 0.000 3.026 75 G HA2 0.341 4.301 3.960 -0.000 0.000 0.208 75 G HA3 0.341 4.301 3.960 -0.000 0.000 0.208 75 G C 0.344 174.696 174.900 -0.913 0.000 1.169 75 G CA -0.471 43.800 45.100 -1.382 0.000 0.788 75 G HN 0.570 nan 8.290 nan 0.000 0.533 76 I N 0.691 120.857 120.570 -0.673 0.000 2.395 76 I HA 0.437 4.607 4.170 -0.000 0.000 0.289 76 I C 1.114 176.839 176.117 -0.653 0.000 1.023 76 I CA -0.128 60.809 61.300 -0.606 0.000 1.350 76 I CB 1.850 39.536 38.000 -0.522 0.000 1.409 76 I HN 0.033 nan 8.210 nan 0.000 0.507 77 G N 5.483 113.808 108.800 -0.791 0.000 4.399 77 G HA2 0.282 4.242 3.960 -0.000 0.000 0.268 77 G HA3 0.282 4.242 3.960 -0.000 0.000 0.268 77 G C -0.506 173.576 174.900 -1.363 0.000 1.038 77 G CA 0.114 44.632 45.100 -0.970 0.000 0.811 77 G HN 0.492 nan 8.290 nan 0.000 0.408 78 Y N -0.084 119.663 120.300 -0.921 0.000 2.581 78 Y HA 0.479 5.029 4.550 0.000 0.000 0.337 78 Y C 0.062 175.925 175.900 -0.062 0.000 1.108 78 Y CA -1.219 56.661 58.100 -0.365 0.000 1.033 78 Y CB 1.550 40.027 38.460 0.029 0.000 1.318 78 Y HN -0.234 nan 8.280 nan 0.000 0.459 79 K N 1.715 122.375 120.400 0.433 0.000 2.270 79 K HA 0.106 4.426 4.320 -0.000 0.000 0.276 79 K C -0.587 176.198 176.600 0.308 0.000 1.023 79 K CA -0.015 56.544 56.287 0.453 0.000 0.955 79 K CB 0.286 33.003 32.500 0.361 0.000 0.975 79 K HN 0.729 nan 8.250 nan 0.000 0.471 80 D N 0.307 120.780 120.400 0.123 0.000 2.751 80 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 80 D C -0.142 176.271 176.300 0.189 0.000 1.149 80 D CA 0.890 54.930 54.000 0.067 0.000 0.682 80 D CB -1.556 39.328 40.800 0.141 0.000 1.068 80 D HN 0.291 nan 8.370 nan 0.000 0.429 81 V N -2.594 117.543 119.914 0.372 0.000 2.539 81 V HA 0.668 4.788 4.120 -0.000 0.000 0.292 81 V C -2.051 174.276 176.094 0.388 0.000 1.045 81 V CA -1.713 60.812 62.300 0.376 0.000 0.945 81 V CB 1.784 33.897 31.823 0.482 0.000 0.993 81 V HN -0.167 nan 8.190 nan 0.000 0.464 82 P HA 0.403 nan 4.420 nan 0.000 0.275 82 P C 0.006 177.524 177.300 0.362 0.000 1.228 82 P CA 0.402 63.648 63.100 0.244 0.000 0.786 82 P CB 1.525 33.312 31.700 0.144 0.000 0.927 83 G N 1.102 110.041 108.800 0.232 0.000 2.644 83 G HA2 0.614 4.574 3.960 -0.000 0.000 0.307 83 G HA3 0.614 4.574 3.960 -0.000 0.000 0.307 83 G C -0.835 174.188 174.900 0.205 0.000 1.250 83 G CA -0.804 44.419 45.100 0.205 0.000 0.996 83 G HN 0.557 nan 8.290 nan 0.000 0.489 84 I N 0.160 120.857 120.570 0.211 0.000 3.064 84 I HA 0.244 4.414 4.170 -0.000 0.000 0.323 84 I C 0.136 176.352 176.117 0.165 0.000 1.501 84 I CA -0.614 60.800 61.300 0.189 0.000 0.890 84 I CB 0.125 38.223 38.000 0.164 0.000 1.602 84 I HN 0.708 nan 8.210 nan 0.000 0.586 85 W N 1.696 123.043 121.300 0.077 0.000 3.127 85 W HA 0.432 5.092 4.660 0.000 0.000 0.344 85 W C 0.324 176.871 176.519 0.046 0.000 1.151 85 W CA 0.191 57.558 57.345 0.036 0.000 1.765 85 W CB -0.544 28.915 29.460 -0.002 0.000 1.085 85 W HN 0.148 nan 8.180 nan 0.000 0.596 86 T N -2.378 112.021 114.554 -0.258 0.000 2.916 86 T HA 0.376 4.726 4.350 -0.000 0.000 0.292 86 T C 0.675 175.337 174.700 -0.063 0.000 1.055 86 T CA -0.795 61.219 62.100 -0.144 0.000 1.009 86 T CB 2.491 71.204 68.868 -0.259 0.000 1.118 86 T HN 0.045 nan 8.240 nan 0.000 0.497 87 K N 0.319 120.711 120.400 -0.014 0.000 2.209 87 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 87 K C 2.024 178.619 176.600 -0.009 0.000 1.048 87 K CA 1.281 57.572 56.287 0.006 0.000 0.940 87 K CB -0.015 32.494 32.500 0.015 0.000 0.729 87 K HN 0.779 nan 8.250 nan 0.000 0.451 88 E N 1.287 121.463 120.200 -0.041 0.000 2.072 88 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 88 E C 1.920 178.480 176.600 -0.067 0.000 0.985 88 E CA 1.227 57.596 56.400 -0.052 0.000 0.801 88 E CB 0.189 29.849 29.700 -0.067 0.000 0.750 88 E HN 0.326 nan 8.360 nan 0.000 0.452 89 Q N -0.183 119.559 119.800 -0.097 0.000 2.079 89 Q HA -0.109 4.230 4.340 -0.000 0.000 0.200 89 Q C 2.321 178.392 176.000 0.118 0.000 0.974 89 Q CA 1.321 57.080 55.803 -0.074 0.000 0.840 89 Q CB 0.100 28.755 28.738 -0.139 0.000 0.898 89 Q HN 0.172 nan 8.270 nan 0.000 0.430 90 V N 1.513 121.506 119.914 0.133 0.000 2.407 90 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 90 V C 2.075 178.257 176.094 0.146 0.000 1.055 90 V CA 1.706 64.122 62.300 0.194 0.000 1.049 90 V CB -0.379 31.509 31.823 0.107 0.000 0.662 90 V HN 0.338 nan 8.190 nan 0.000 0.455 91 E N 0.080 120.319 120.200 0.065 0.000 2.152 91 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 91 E C 2.286 178.894 176.600 0.014 0.000 0.983 91 E CA 1.248 57.669 56.400 0.034 0.000 0.818 91 E CB -0.341 29.365 29.700 0.009 0.000 0.758 91 E HN 0.580 nan 8.360 nan 0.000 0.467 92 A N -0.202 122.601 122.820 -0.028 0.000 2.014 92 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 92 A C 1.908 179.421 177.584 -0.119 0.000 1.163 92 A CA 0.565 52.531 52.037 -0.118 0.000 0.652 92 A CB -0.766 18.098 19.000 -0.226 0.000 0.808 92 A HN 0.265 nan 8.150 nan 0.000 0.449 93 W N 0.263 121.539 121.300 -0.040 0.000 2.441 93 W HA -0.026 4.634 4.660 -0.000 0.000 0.302 93 W C 2.227 178.653 176.519 -0.156 0.000 1.191 93 W CA 1.148 58.453 57.345 -0.066 0.000 1.327 93 W CB -0.000 29.451 29.460 -0.015 0.000 1.128 93 W HN 0.182 nan 8.180 nan 0.000 0.522 94 K N -0.386 120.076 120.400 0.103 0.000 2.071 94 K HA -0.259 4.061 4.320 -0.000 0.000 0.217 94 K C -0.610 175.985 176.600 -0.008 0.000 1.054 94 K CA 2.242 58.527 56.287 -0.003 0.000 0.937 94 K CB -1.890 30.617 32.500 0.012 0.000 0.719 94 K HN 0.143 nan 8.250 nan 0.000 0.454 95 P HA -0.117 nan 4.420 nan 0.000 0.218 95 P C 1.214 178.529 177.300 0.025 0.000 1.149 95 P CA 1.176 64.283 63.100 0.011 0.000 0.817 95 P CB 0.013 31.714 31.700 0.002 0.000 0.785 96 I N -1.371 119.235 120.570 0.060 0.000 2.233 96 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 96 I C 2.203 178.366 176.117 0.077 0.000 1.093 96 I CA 1.131 62.508 61.300 0.128 0.000 1.380 96 I CB -0.857 37.301 38.000 0.263 0.000 1.067 96 I HN -0.209 nan 8.210 nan 0.000 0.413 97 V N 1.049 120.960 119.914 -0.005 0.000 2.392 97 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 97 V C 2.008 177.954 176.094 -0.246 0.000 1.059 97 V CA 2.008 64.188 62.300 -0.200 0.000 1.051 97 V CB -0.697 30.824 31.823 -0.504 0.000 0.658 97 V HN 0.418 nan 8.190 nan 0.000 0.455 98 D N 0.254 120.602 120.400 -0.087 0.000 2.144 98 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 98 D C 2.222 178.524 176.300 0.004 0.000 0.978 98 D CA 1.481 55.479 54.000 -0.002 0.000 0.833 98 D CB -0.275 40.540 40.800 0.026 0.000 0.961 98 D HN 0.454 nan 8.370 nan 0.000 0.470 99 A N 0.719 123.530 122.820 -0.015 0.000 1.898 99 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 99 A C 2.522 180.083 177.584 -0.038 0.000 1.181 99 A CA 1.090 53.124 52.037 -0.006 0.000 0.620 99 A CB -0.727 18.281 19.000 0.012 0.000 0.819 99 A HN 0.129 nan 8.150 nan 0.000 0.442 100 V N -0.197 119.640 119.914 -0.128 0.000 2.261 100 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 100 V C 2.425 178.499 176.094 -0.034 0.000 1.047 100 V CA 2.191 64.372 62.300 -0.199 0.000 1.015 100 V CB -1.105 30.407 31.823 -0.519 0.000 0.642 100 V HN 0.655 nan 8.190 nan 0.000 0.446 101 H N 0.226 119.295 119.070 -0.002 0.000 2.489 101 H HA 0.009 4.564 4.556 -0.000 0.000 0.293 101 H C 2.254 177.592 175.328 0.018 0.000 1.066 101 H CA 1.179 57.242 56.048 0.025 0.000 1.305 101 H CB -0.563 29.222 29.762 0.038 0.000 1.386 101 H HN 0.460 nan 8.280 nan 0.000 0.551 102 A N 0.855 123.748 122.820 0.121 0.000 2.015 102 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 102 A C 1.932 179.548 177.584 0.053 0.000 1.163 102 A CA 1.128 53.208 52.037 0.072 0.000 0.646 102 A CB -0.041 18.986 19.000 0.044 0.000 0.806 102 A HN 0.298 nan 8.150 nan 0.000 0.448 103 K N -1.495 118.935 120.400 0.050 0.000 2.399 103 K HA 0.303 4.623 4.320 -0.000 0.000 0.204 103 K C 0.746 177.379 176.600 0.054 0.000 1.023 103 K CA 0.392 56.703 56.287 0.040 0.000 1.127 103 K CB 0.343 32.858 32.500 0.026 0.000 0.856 103 K HN 0.570 nan 8.250 nan 0.000 0.514 104 G N 1.431 110.277 108.800 0.076 0.000 2.136 104 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 104 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 104 G C 0.326 175.283 174.900 0.095 0.000 0.989 104 G CA -0.166 44.983 45.100 0.082 0.000 0.682 104 G HN 0.467 nan 8.290 nan 0.000 0.522 105 G N -0.754 108.110 108.800 0.107 0.000 2.507 105 G HA2 0.606 4.566 3.960 -0.000 0.000 0.271 105 G HA3 0.606 4.566 3.960 -0.000 0.000 0.271 105 G C 0.018 175.030 174.900 0.187 0.000 1.189 105 G CA -0.693 44.457 45.100 0.084 0.000 0.859 105 G HN 0.355 nan 8.290 nan 0.000 0.542 106 I N 0.669 121.316 120.570 0.128 0.000 2.392 106 I HA 0.394 4.564 4.170 -0.000 0.000 0.295 106 I C -0.779 175.510 176.117 0.287 0.000 0.985 106 I CA -0.678 60.734 61.300 0.188 0.000 1.221 106 I CB 1.281 39.260 38.000 -0.035 0.000 1.366 106 I HN 0.397 nan 8.210 nan 0.000 0.467 107 F N 6.006 126.098 119.950 0.236 0.000 2.539 107 F HA 0.481 5.008 4.527 0.000 0.000 0.328 107 F C -1.125 174.937 175.800 0.437 0.000 1.148 107 F CA -0.701 57.440 58.000 0.235 0.000 0.940 107 F CB 1.477 40.510 39.000 0.055 0.000 1.194 107 F HN 0.262 nan 8.300 nan 0.000 0.438 108 F N 4.593 124.611 119.950 0.114 0.000 2.458 108 F HA 0.408 4.935 4.527 -0.000 0.000 0.330 108 F C -0.053 175.449 175.800 -0.498 0.000 1.082 108 F CA -1.023 56.893 58.000 -0.140 0.000 0.995 108 F CB 1.532 40.507 39.000 -0.043 0.000 1.170 108 F HN 0.334 nan 8.300 nan 0.000 0.478 109 C N 4.269 123.106 119.300 -0.773 0.000 2.295 109 C HA 0.295 4.755 4.460 -0.000 0.000 0.331 109 C C -0.021 174.637 174.990 -0.553 0.000 1.280 109 C CA -0.466 57.822 59.018 -1.215 0.000 1.746 109 C CB 0.246 26.675 27.740 -2.186 0.000 2.328 109 C HN 0.832 nan 8.230 nan 0.000 0.521 110 Q N 5.988 125.577 119.800 -0.351 0.000 2.314 110 Q HA 0.452 4.792 4.340 -0.000 0.000 0.257 110 Q C -0.196 175.766 176.000 -0.063 0.000 0.975 110 Q CA -0.233 55.483 55.803 -0.144 0.000 0.933 110 Q CB 0.574 29.248 28.738 -0.108 0.000 1.195 110 Q HN 0.861 nan 8.270 nan 0.000 0.426 111 I N 1.582 122.170 120.570 0.030 0.000 2.365 111 I HA 0.596 4.766 4.170 -0.000 0.000 0.291 111 I C -0.870 175.507 176.117 0.434 0.000 1.004 111 I CA -0.728 60.672 61.300 0.168 0.000 1.311 111 I CB 0.509 38.593 38.000 0.141 0.000 1.401 111 I HN 0.631 nan 8.210 nan 0.000 0.491 112 W N 7.310 128.703 121.300 0.154 0.000 3.033 112 W HA 0.573 5.233 4.660 0.000 0.000 0.336 112 W C -1.859 174.687 176.519 0.046 0.000 1.173 112 W CA -0.572 56.871 57.345 0.164 0.000 1.185 112 W CB 1.273 30.784 29.460 0.084 0.000 1.425 112 W HN 0.638 nan 8.180 nan 0.000 0.536 113 H N 4.249 123.283 119.070 -0.060 0.000 3.017 113 H HA 0.241 4.797 4.556 -0.000 0.000 0.340 113 H C 0.581 175.672 175.328 -0.394 0.000 1.014 113 H CA 0.168 56.007 56.048 -0.350 0.000 1.341 113 H CB 2.028 31.679 29.762 -0.184 0.000 1.739 113 H HN 0.494 nan 8.280 nan 0.000 0.506 114 V N 2.757 122.265 119.914 -0.677 0.000 2.809 114 V HA 0.194 4.314 4.120 -0.000 0.000 0.256 114 V C 1.439 177.631 176.094 0.162 0.000 1.080 114 V CA 1.340 63.476 62.300 -0.273 0.000 1.102 114 V CB -0.980 30.570 31.823 -0.454 0.000 0.705 114 V HN 1.009 nan 8.190 nan 0.000 0.475 115 G N 2.379 111.334 108.800 0.257 0.000 2.556 115 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.283 115 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.283 115 G C 0.888 175.835 174.900 0.078 0.000 1.177 115 G CA 1.066 46.295 45.100 0.215 0.000 0.978 115 G HN 0.991 nan 8.290 nan 0.000 0.554 116 R N 0.006 120.522 120.500 0.027 0.000 2.357 116 R HA 0.225 4.565 4.340 -0.000 0.000 0.202 116 R C 0.962 177.254 176.300 -0.014 0.000 1.047 116 R CA 1.210 57.302 56.100 -0.013 0.000 1.034 116 R CB -0.254 30.005 30.300 -0.070 0.000 0.875 116 R HN 0.456 nan 8.270 nan 0.000 0.473 117 V N 1.428 121.351 119.914 0.015 0.000 2.008 117 V HA 0.162 4.282 4.120 -0.000 0.000 0.262 117 V C 0.011 176.156 176.094 0.086 0.000 1.580 117 V CA -0.075 62.247 62.300 0.037 0.000 1.515 117 V CB -0.296 31.644 31.823 0.194 0.000 1.474 117 V HN 0.380 nan 8.190 nan 0.000 0.504 118 S N 1.780 117.591 115.700 0.186 0.000 2.643 118 S HA 0.504 4.974 4.470 -0.000 0.000 0.270 118 S C -1.587 173.135 174.600 0.203 0.000 1.166 118 S CA -0.742 57.506 58.200 0.081 0.000 0.815 118 S CB 2.107 65.276 63.200 -0.052 0.000 1.139 118 S HN 0.537 nan 8.310 nan 0.000 0.472 119 N N 0.749 119.594 118.700 0.241 0.000 2.238 119 N HA 0.307 5.047 4.740 -0.000 0.000 0.302 119 N C 0.648 176.225 175.510 0.111 0.000 1.072 119 N CA -0.461 52.681 53.050 0.153 0.000 0.792 119 N CB 1.844 40.384 38.487 0.089 0.000 1.425 119 N HN 0.804 nan 8.380 nan 0.000 0.478 120 K N 1.329 121.754 120.400 0.043 0.000 2.286 120 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 120 K C 0.168 176.763 176.600 -0.008 0.000 1.045 120 K CA 1.572 57.869 56.287 0.016 0.000 0.935 120 K CB 0.063 32.561 32.500 -0.004 0.000 0.737 120 K HN 0.352 nan 8.250 nan 0.000 0.460 121 D N 0.084 120.447 120.400 -0.062 0.000 2.309 121 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 121 D C 0.938 177.131 176.300 -0.178 0.000 0.968 121 D CA 0.854 54.761 54.000 -0.156 0.000 0.882 121 D CB -0.061 40.576 40.800 -0.272 0.000 0.918 121 D HN 0.253 nan 8.370 nan 0.000 0.503 122 F N 0.429 120.360 119.950 -0.031 0.000 2.698 122 F HA 0.146 4.673 4.527 -0.000 0.000 0.295 122 F C 1.301 177.059 175.800 -0.070 0.000 1.124 122 F CA 0.174 58.156 58.000 -0.031 0.000 1.426 122 F CB 0.108 39.069 39.000 -0.064 0.000 1.120 122 F HN -0.230 nan 8.300 nan 0.000 0.583 123 Q N 0.936 120.797 119.800 0.100 0.000 2.312 123 Q HA 0.240 4.580 4.340 -0.000 0.000 0.236 123 Q C -2.247 173.750 176.000 -0.005 0.000 0.965 123 Q CA -2.041 53.767 55.803 0.009 0.000 0.894 123 Q CB -0.082 28.652 28.738 -0.007 0.000 1.225 123 Q HN -0.018 nan 8.270 nan 0.000 0.478 124 P HA 0.052 nan 4.420 nan 0.000 0.271 124 P C -0.497 176.794 177.300 -0.016 0.000 1.216 124 P CA -0.014 63.072 63.100 -0.024 0.000 0.771 124 P CB 0.390 32.059 31.700 -0.053 0.000 0.864 125 N N 2.248 120.945 118.700 -0.005 0.000 2.678 125 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 125 N C 0.865 176.368 175.510 -0.011 0.000 1.119 125 N CA 1.681 54.727 53.050 -0.007 0.000 0.718 125 N CB -1.965 36.516 38.487 -0.009 0.000 1.060 125 N HN 0.906 nan 8.380 nan 0.000 0.552 126 G N -0.664 108.129 108.800 -0.012 0.000 2.283 126 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.280 126 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.280 126 G C 0.079 174.970 174.900 -0.015 0.000 1.029 126 G CA 0.939 46.030 45.100 -0.016 0.000 0.840 126 G HN 0.658 nan 8.290 nan 0.000 0.505 127 E N 0.189 120.379 120.200 -0.016 0.000 2.391 127 E HA 0.340 4.690 4.350 -0.000 0.000 0.255 127 E C 0.114 176.707 176.600 -0.012 0.000 1.187 127 E CA -0.458 55.932 56.400 -0.017 0.000 0.941 127 E CB 0.535 30.220 29.700 -0.024 0.000 1.010 127 E HN 0.287 nan 8.360 nan 0.000 0.458 128 D N 1.732 122.126 120.400 -0.011 0.000 2.304 128 D HA 0.172 4.812 4.640 -0.000 0.000 0.247 128 D C -2.233 174.064 176.300 -0.005 0.000 1.089 128 D CA -1.420 52.577 54.000 -0.004 0.000 0.910 128 D CB 0.635 41.431 40.800 -0.007 0.000 1.199 128 D HN 0.096 nan 8.370 nan 0.000 0.426 129 P HA 0.097 nan 4.420 nan 0.000 0.269 129 P C -0.230 177.071 177.300 0.002 0.000 1.217 129 P CA -0.097 63.007 63.100 0.007 0.000 0.783 129 P CB 0.489 32.203 31.700 0.022 0.000 0.898 130 I N -1.852 118.731 120.570 0.021 0.000 2.607 130 I HA 0.818 4.988 4.170 -0.000 0.000 0.305 130 I C -0.039 176.065 176.117 -0.021 0.000 0.995 130 I CA -0.522 60.773 61.300 -0.008 0.000 1.148 130 I CB 2.084 40.075 38.000 -0.016 0.000 1.323 130 I HN 0.263 nan 8.210 nan 0.000 0.461 131 S N 1.783 117.431 115.700 -0.087 0.000 2.703 131 S HA 0.287 4.757 4.470 -0.000 0.000 0.273 131 S C 0.490 174.884 174.600 -0.343 0.000 1.178 131 S CA -0.154 57.943 58.200 -0.172 0.000 0.838 131 S CB 0.846 63.950 63.200 -0.160 0.000 1.178 131 S HN 1.023 nan 8.310 nan 0.000 0.494 132 C N 0.289 119.164 119.300 -0.708 0.000 2.485 132 C HA 0.425 4.885 4.460 -0.000 0.000 0.277 132 C C 1.401 176.107 174.990 -0.474 0.000 1.376 132 C CA 0.930 59.340 59.018 -1.012 0.000 1.759 132 C CB -1.601 25.077 27.740 -1.771 0.000 1.970 132 C HN 0.746 nan 8.230 nan 0.000 0.509 133 T N 0.879 115.226 114.554 -0.346 0.000 2.919 133 T HA 0.484 4.834 4.350 -0.000 0.000 0.282 133 T C -0.259 174.350 174.700 -0.151 0.000 1.020 133 T CA 0.304 62.278 62.100 -0.210 0.000 0.994 133 T CB 1.453 70.212 68.868 -0.181 0.000 1.180 133 T HN 0.539 nan 8.240 nan 0.000 0.566 134 D N -0.244 120.092 120.400 -0.106 0.000 2.462 134 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 134 D C 0.212 176.474 176.300 -0.063 0.000 1.173 134 D CA -0.324 53.629 54.000 -0.077 0.000 0.831 134 D CB 0.046 40.810 40.800 -0.059 0.000 1.001 134 D HN 0.208 nan 8.370 nan 0.000 0.499 135 R N 0.226 120.681 120.500 -0.075 0.000 2.346 135 R HA 0.665 5.005 4.340 -0.000 0.000 0.311 135 R C 0.536 176.797 176.300 -0.065 0.000 0.983 135 R CA -0.699 55.364 56.100 -0.061 0.000 0.880 135 R CB 1.878 32.139 30.300 -0.065 0.000 1.100 135 R HN 0.144 nan 8.270 nan 0.000 0.453 136 G N 2.337 111.112 108.800 -0.042 0.000 2.522 136 G HA2 0.447 4.407 3.960 -0.000 0.000 0.304 136 G HA3 0.447 4.407 3.960 -0.000 0.000 0.304 136 G C -0.350 174.508 174.900 -0.069 0.000 1.210 136 G CA -0.812 44.266 45.100 -0.037 0.000 0.960 136 G HN 0.311 nan 8.290 nan 0.000 0.497 137 L N 0.153 121.302 121.223 -0.124 0.000 2.421 137 L HA 0.380 4.720 4.340 -0.000 0.000 0.263 137 L C 1.290 178.141 176.870 -0.032 0.000 1.122 137 L CA -0.779 53.922 54.840 -0.231 0.000 0.804 137 L CB 1.451 43.071 42.059 -0.731 0.000 1.150 137 L HN 0.692 nan 8.230 nan 0.000 0.457 138 T N -0.803 113.730 114.554 -0.034 0.000 2.899 138 T HA 0.391 4.741 4.350 -0.000 0.000 0.284 138 T C -2.474 172.317 174.700 0.151 0.000 1.004 138 T CA -1.829 60.303 62.100 0.054 0.000 1.043 138 T CB 0.901 69.775 68.868 0.009 0.000 1.013 138 T HN 0.256 nan 8.240 nan 0.000 0.518 139 P HA 0.192 nan 4.420 nan 0.000 0.267 139 P C -0.610 176.722 177.300 0.053 0.000 1.200 139 P CA -0.076 63.010 63.100 -0.023 0.000 0.772 139 P CB 0.295 31.832 31.700 -0.273 0.000 0.855 140 Q N 1.147 120.997 119.800 0.083 0.000 2.397 140 Q HA 0.518 4.858 4.340 -0.000 0.000 0.275 140 Q C -0.554 175.462 176.000 0.026 0.000 1.090 140 Q CA -0.877 54.983 55.803 0.095 0.000 0.809 140 Q CB 2.099 30.965 28.738 0.213 0.000 1.362 140 Q HN 0.373 nan 8.270 nan 0.000 0.431 141 I N 2.632 123.227 120.570 0.042 0.000 2.371 141 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 141 I C 0.248 176.404 176.117 0.066 0.000 1.028 141 I CA -0.095 61.228 61.300 0.038 0.000 1.345 141 I CB 0.576 38.604 38.000 0.046 0.000 1.407 141 I HN 0.476 nan 8.210 nan 0.000 0.501 142 M N 4.016 123.650 119.600 0.056 0.000 2.226 142 M HA 0.054 4.534 4.480 -0.000 0.000 0.324 142 M C 1.771 178.124 176.300 0.089 0.000 1.112 142 M CA -0.042 55.302 55.300 0.073 0.000 1.176 142 M CB 0.800 33.439 32.600 0.065 0.000 1.430 142 M HN 0.785 nan 8.290 nan 0.000 0.462 143 S N 0.938 116.696 115.700 0.097 0.000 2.400 143 S HA -0.297 4.173 4.470 -0.000 0.000 0.234 143 S C 1.169 175.854 174.600 0.141 0.000 1.049 143 S CA 2.269 60.565 58.200 0.159 0.000 1.039 143 S CB -1.314 62.045 63.200 0.265 0.000 0.856 143 S HN 0.926 nan 8.310 nan 0.000 0.465 144 N N 1.052 119.820 118.700 0.114 0.000 2.512 144 N HA 0.150 4.890 4.740 -0.000 0.000 0.183 144 N C 1.453 177.004 175.510 0.068 0.000 1.073 144 N CA 0.471 53.573 53.050 0.088 0.000 0.911 144 N CB -0.608 37.925 38.487 0.077 0.000 0.964 144 N HN 0.667 nan 8.380 nan 0.000 0.447 145 G N 0.631 109.473 108.800 0.070 0.000 2.168 145 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 145 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 145 G C 0.627 175.554 174.900 0.045 0.000 0.977 145 G CA 0.799 45.933 45.100 0.057 0.000 0.659 145 G HN 0.497 nan 8.290 nan 0.000 0.533 146 I N -0.643 119.954 120.570 0.044 0.000 3.673 146 I HA 0.195 4.365 4.170 -0.000 0.000 0.281 146 I C 0.598 176.736 176.117 0.036 0.000 1.182 146 I CA -0.124 61.198 61.300 0.036 0.000 1.391 146 I CB 0.035 38.055 38.000 0.034 0.000 1.383 146 I HN -0.026 nan 8.210 nan 0.000 0.456 147 D N 2.319 122.743 120.400 0.040 0.000 2.313 147 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 147 D C -0.317 176.000 176.300 0.027 0.000 1.094 147 D CA 0.150 54.172 54.000 0.037 0.000 0.925 147 D CB 2.400 43.224 40.800 0.040 0.000 1.188 147 D HN 0.022 nan 8.370 nan 0.000 0.430 148 I N 1.196 121.779 120.570 0.022 0.000 2.382 148 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 148 I C 0.081 176.142 176.117 -0.094 0.000 1.002 148 I CA -0.826 60.447 61.300 -0.045 0.000 1.135 148 I CB 1.656 39.617 38.000 -0.064 0.000 1.288 148 I HN 0.266 nan 8.210 nan 0.000 0.448 149 A N 6.067 128.784 122.820 -0.171 0.000 2.395 149 A HA 0.371 4.691 4.320 -0.000 0.000 0.286 149 A C -0.554 176.643 177.584 -0.646 0.000 1.193 149 A CA -0.018 51.825 52.037 -0.323 0.000 0.852 149 A CB -0.461 18.352 19.000 -0.312 0.000 1.118 149 A HN 0.711 nan 8.150 nan 0.000 0.524 150 H N 0.749 119.520 119.070 -0.498 0.000 2.483 150 H HA 0.648 5.204 4.556 -0.000 0.000 0.338 150 H C -0.865 174.058 175.328 -0.674 0.000 1.152 150 H CA 0.187 55.984 56.048 -0.419 0.000 1.264 150 H CB 0.979 30.635 29.762 -0.176 0.000 1.510 150 H HN 0.588 nan 8.280 nan 0.000 0.530 151 F N -0.413 119.592 119.950 0.092 0.000 2.561 151 F HA 0.389 4.916 4.527 -0.000 0.000 0.321 151 F C 0.232 176.054 175.800 0.037 0.000 1.065 151 F CA -0.909 57.115 58.000 0.041 0.000 0.934 151 F CB 1.798 40.794 39.000 -0.008 0.000 1.215 151 F HN 0.329 nan 8.300 nan 0.000 0.471 152 T N 2.000 116.675 114.554 0.202 0.000 2.837 152 T HA 0.341 4.691 4.350 -0.000 0.000 0.285 152 T C 0.121 174.873 174.700 0.086 0.000 0.984 152 T CA -0.826 61.338 62.100 0.107 0.000 1.049 152 T CB 0.614 69.520 68.868 0.063 0.000 0.947 152 T HN 0.357 nan 8.240 nan 0.000 0.472 153 R N 3.854 124.385 120.500 0.052 0.000 2.538 153 R HA 0.100 4.440 4.340 -0.000 0.000 0.282 153 R C -2.096 174.207 176.300 0.005 0.000 1.009 153 R CA -0.906 55.206 56.100 0.020 0.000 1.063 153 R CB 0.009 30.313 30.300 0.007 0.000 0.945 153 R HN 0.447 nan 8.270 nan 0.000 0.414 154 P HA 0.128 nan 4.420 nan 0.000 0.278 154 P C -1.020 176.257 177.300 -0.037 0.000 1.258 154 P CA -0.539 62.546 63.100 -0.025 0.000 0.811 154 P CB 0.882 32.556 31.700 -0.045 0.000 1.063 155 R N 1.361 121.838 120.500 -0.038 0.000 2.297 155 R HA 0.261 4.601 4.340 -0.000 0.000 0.308 155 R C 0.379 176.641 176.300 -0.063 0.000 1.029 155 R CA -0.726 55.349 56.100 -0.043 0.000 0.929 155 R CB 0.611 30.891 30.300 -0.034 0.000 1.046 155 R HN 0.435 nan 8.270 nan 0.000 0.461 156 R N 5.201 125.658 120.500 -0.070 0.000 2.370 156 R HA 0.094 4.434 4.340 -0.000 0.000 0.309 156 R C -0.410 175.843 176.300 -0.078 0.000 1.059 156 R CA -0.242 55.801 56.100 -0.095 0.000 0.981 156 R CB 0.350 30.598 30.300 -0.086 0.000 0.972 156 R HN 0.600 nan 8.270 nan 0.000 0.437 157 L N 3.628 124.798 121.223 -0.089 0.000 2.483 157 L HA 0.066 4.406 4.340 -0.000 0.000 0.276 157 L C 0.967 177.806 176.870 -0.052 0.000 1.213 157 L CA 0.197 54.997 54.840 -0.067 0.000 0.843 157 L CB 0.907 42.926 42.059 -0.066 0.000 1.107 157 L HN 0.761 nan 8.230 nan 0.000 0.487 158 T N -2.015 112.515 114.554 -0.041 0.000 2.899 158 T HA 0.154 4.504 4.350 -0.000 0.000 0.284 158 T C 1.179 175.872 174.700 -0.011 0.000 1.004 158 T CA -0.560 61.530 62.100 -0.017 0.000 1.043 158 T CB 1.335 70.198 68.868 -0.007 0.000 1.013 158 T HN 0.648 nan 8.240 nan 0.000 0.518 159 T N 1.721 116.299 114.554 0.040 0.000 2.653 159 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 159 T C 1.489 176.242 174.700 0.089 0.000 1.035 159 T CA 2.080 64.247 62.100 0.111 0.000 1.154 159 T CB -0.652 68.306 68.868 0.150 0.000 0.862 159 T HN 0.941 nan 8.240 nan 0.000 0.441 160 D N 0.929 121.362 120.400 0.054 0.000 2.363 160 D HA -0.034 4.606 4.640 -0.000 0.000 0.220 160 D C 1.616 177.925 176.300 0.016 0.000 0.994 160 D CA 0.508 54.535 54.000 0.045 0.000 0.890 160 D CB -0.361 40.460 40.800 0.034 0.000 0.906 160 D HN 0.459 nan 8.370 nan 0.000 0.530 161 E N 0.021 120.214 120.200 -0.013 0.000 2.216 161 E HA 0.106 4.456 4.350 -0.000 0.000 0.192 161 E C 2.133 178.698 176.600 -0.059 0.000 0.973 161 E CA -0.063 56.317 56.400 -0.033 0.000 0.851 161 E CB 0.126 29.800 29.700 -0.044 0.000 0.804 161 E HN 0.261 nan 8.360 nan 0.000 0.477 162 I N 1.703 122.200 120.570 -0.122 0.000 2.185 162 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 162 I C -0.790 175.300 176.117 -0.043 0.000 1.088 162 I CA 1.379 62.542 61.300 -0.229 0.000 1.347 162 I CB -1.097 36.522 38.000 -0.635 0.000 1.041 162 I HN 0.064 nan 8.210 nan 0.000 0.415 163 P HA -0.172 nan 4.420 nan 0.000 0.220 163 P C 1.375 178.705 177.300 0.050 0.000 1.148 163 P CA 1.299 64.440 63.100 0.068 0.000 0.803 163 P CB -0.023 31.723 31.700 0.076 0.000 0.782 164 Q N -1.069 118.745 119.800 0.023 0.000 2.079 164 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 164 Q C 1.889 177.898 176.000 0.016 0.000 0.974 164 Q CA 1.057 56.867 55.803 0.011 0.000 0.840 164 Q CB -0.471 28.262 28.738 -0.010 0.000 0.898 164 Q HN 0.239 nan 8.270 nan 0.000 0.430 165 I N 0.174 120.762 120.570 0.030 0.000 2.252 165 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 165 I C 2.275 178.502 176.117 0.184 0.000 1.102 165 I CA 1.005 62.338 61.300 0.056 0.000 1.385 165 I CB -1.117 36.934 38.000 0.086 0.000 1.064 165 I HN 0.054 nan 8.210 nan 0.000 0.414 166 V N 1.411 121.446 119.914 0.201 0.000 2.469 166 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 166 V C 2.363 178.530 176.094 0.122 0.000 1.064 166 V CA 1.915 64.295 62.300 0.133 0.000 1.066 166 V CB -0.950 30.893 31.823 0.032 0.000 0.667 166 V HN 0.533 nan 8.190 nan 0.000 0.461 167 N N -0.021 118.725 118.700 0.078 0.000 2.270 167 N HA -0.164 4.576 4.740 -0.000 0.000 0.181 167 N C 1.803 177.339 175.510 0.043 0.000 1.016 167 N CA 1.186 54.267 53.050 0.051 0.000 0.870 167 N CB 0.135 38.640 38.487 0.030 0.000 0.979 167 N HN 0.634 nan 8.380 nan 0.000 0.431 168 E N -0.280 119.928 120.200 0.014 0.000 2.077 168 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 168 E C 1.702 178.267 176.600 -0.059 0.000 0.989 168 E CA 0.939 57.303 56.400 -0.059 0.000 0.800 168 E CB -0.244 29.360 29.700 -0.159 0.000 0.746 168 E HN 0.386 nan 8.360 nan 0.000 0.452 169 F N 1.198 121.134 119.950 -0.023 0.000 2.134 169 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 169 F C 2.693 178.465 175.800 -0.046 0.000 1.097 169 F CA 1.142 59.120 58.000 -0.038 0.000 1.264 169 F CB -0.148 38.794 39.000 -0.097 0.000 1.001 169 F HN -0.085 nan 8.300 nan 0.000 0.479 170 R N 0.619 121.204 120.500 0.142 0.000 2.082 170 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 170 R C 2.159 178.483 176.300 0.041 0.000 1.136 170 R CA 2.184 58.321 56.100 0.061 0.000 0.935 170 R CB -0.771 29.553 30.300 0.040 0.000 0.842 170 R HN 0.165 nan 8.270 nan 0.000 0.430 171 V N 1.187 121.125 119.914 0.039 0.000 2.332 171 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 171 V C 2.573 178.689 176.094 0.037 0.000 1.055 171 V CA 1.936 64.257 62.300 0.035 0.000 1.038 171 V CB -0.953 30.894 31.823 0.040 0.000 0.651 171 V HN 0.536 nan 8.190 nan 0.000 0.450 172 A N 0.115 122.956 122.820 0.035 0.000 1.908 172 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 172 A C 2.451 180.026 177.584 -0.014 0.000 1.181 172 A CA 2.298 54.352 52.037 0.028 0.000 0.627 172 A CB -0.826 18.183 19.000 0.016 0.000 0.818 172 A HN 0.596 nan 8.150 nan 0.000 0.445 173 A N -0.258 122.556 122.820 -0.011 0.000 1.877 173 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 173 A C 2.183 179.735 177.584 -0.053 0.000 1.186 173 A CA 2.188 54.190 52.037 -0.058 0.000 0.620 173 A CB -0.477 18.497 19.000 -0.043 0.000 0.822 173 A HN 0.482 nan 8.150 nan 0.000 0.443 174 R N 0.702 121.191 120.500 -0.018 0.000 2.091 174 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 174 R C 1.689 177.991 176.300 0.003 0.000 1.136 174 R CA 2.142 58.239 56.100 -0.006 0.000 0.959 174 R CB -0.628 29.678 30.300 0.009 0.000 0.856 174 R HN 0.578 nan 8.270 nan 0.000 0.437 175 N N 0.257 118.964 118.700 0.012 0.000 2.223 175 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 175 N C 1.451 176.977 175.510 0.027 0.000 1.016 175 N CA 1.452 54.520 53.050 0.030 0.000 0.863 175 N CB -0.371 38.147 38.487 0.051 0.000 0.983 175 N HN 0.384 nan 8.380 nan 0.000 0.429 176 A N 1.461 124.264 122.820 -0.028 0.000 1.873 176 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 176 A C 2.123 179.781 177.584 0.124 0.000 1.186 176 A CA 0.770 52.805 52.037 -0.004 0.000 0.616 176 A CB -0.345 18.470 19.000 -0.308 0.000 0.823 176 A HN 0.078 nan 8.150 nan 0.000 0.442 177 I N 0.233 120.816 120.570 0.022 0.000 2.226 177 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 177 I C 2.414 178.554 176.117 0.037 0.000 1.100 177 I CA 1.888 63.204 61.300 0.027 0.000 1.374 177 I CB -1.378 36.619 38.000 -0.005 0.000 1.057 177 I HN 0.614 nan 8.210 nan 0.000 0.413 178 E N 1.257 121.478 120.200 0.034 0.000 2.153 178 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 178 E C 2.101 178.720 176.600 0.032 0.000 0.988 178 E CA 1.227 57.646 56.400 0.032 0.000 0.811 178 E CB 0.073 29.794 29.700 0.035 0.000 0.746 178 E HN 0.427 nan 8.360 nan 0.000 0.466 179 A N -0.168 122.677 122.820 0.042 0.000 2.206 179 A HA 0.198 4.518 4.320 -0.000 0.000 0.211 179 A C 1.804 179.314 177.584 -0.123 0.000 1.158 179 A CA 1.078 53.113 52.037 -0.003 0.000 0.761 179 A CB -0.331 18.696 19.000 0.045 0.000 0.801 179 A HN 0.524 nan 8.150 nan 0.000 0.473 180 G N -2.216 106.548 108.800 -0.059 0.000 2.195 180 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.224 180 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.224 180 G C 0.116 175.020 174.900 0.005 0.000 0.990 180 G CA -0.132 44.950 45.100 -0.030 0.000 0.639 180 G HN 0.324 nan 8.290 nan 0.000 0.514 181 F N 1.922 121.827 119.950 -0.075 0.000 2.595 181 F HA 0.208 4.735 4.527 0.000 0.000 0.359 181 F C 1.686 177.456 175.800 -0.049 0.000 1.147 181 F CA 0.736 58.647 58.000 -0.148 0.000 1.341 181 F CB 0.533 39.293 39.000 -0.399 0.000 1.104 181 F HN -0.004 nan 8.300 nan 0.000 0.603 182 D N 1.216 121.753 120.400 0.229 0.000 2.269 182 D HA 0.106 4.746 4.640 -0.000 0.000 0.208 182 D C 0.963 177.120 176.300 -0.238 0.000 0.963 182 D CA 1.118 55.214 54.000 0.160 0.000 0.864 182 D CB 0.244 41.222 40.800 0.297 0.000 0.936 182 D HN 0.657 nan 8.370 nan 0.000 0.505 183 G N -0.453 107.893 108.800 -0.758 0.000 2.430 183 G HA2 0.425 4.385 3.960 -0.000 0.000 0.300 183 G HA3 0.425 4.385 3.960 -0.000 0.000 0.300 183 G C -1.594 172.669 174.900 -1.061 0.000 1.330 183 G CA -0.212 44.102 45.100 -1.311 0.000 0.813 183 G HN 0.108 nan 8.290 nan 0.000 0.487 184 V N -2.634 116.854 119.914 -0.710 0.000 2.962 184 V HA 0.896 5.016 4.120 -0.000 0.000 0.313 184 V C -0.740 175.310 176.094 -0.074 0.000 1.099 184 V CA -0.913 61.182 62.300 -0.342 0.000 0.971 184 V CB 1.969 33.616 31.823 -0.293 0.000 1.028 184 V HN 0.971 nan 8.190 nan 0.000 0.430 185 E N 3.034 123.227 120.200 -0.012 0.000 2.129 185 E HA 0.536 4.886 4.350 -0.000 0.000 0.268 185 E C -0.848 175.735 176.600 -0.028 0.000 0.900 185 E CA -0.833 55.580 56.400 0.021 0.000 0.755 185 E CB 1.503 31.281 29.700 0.131 0.000 1.117 185 E HN 0.790 nan 8.360 nan 0.000 0.410 186 I N 3.827 124.357 120.570 -0.066 0.000 2.556 186 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 186 I C 0.483 176.609 176.117 0.015 0.000 1.114 186 I CA -0.122 61.149 61.300 -0.048 0.000 1.418 186 I CB 0.369 38.257 38.000 -0.187 0.000 1.394 186 I HN 0.498 nan 8.210 nan 0.000 0.552 187 H N 6.292 125.387 119.070 0.043 0.000 3.014 187 H HA 0.238 4.794 4.556 -0.000 0.000 0.266 187 H C 0.728 176.103 175.328 0.078 0.000 1.455 187 H CA -0.713 55.376 56.048 0.068 0.000 1.402 187 H CB 0.581 30.455 29.762 0.186 0.000 1.626 187 H HN 0.742 nan 8.280 nan 0.000 0.520 188 G N 2.723 111.643 108.800 0.200 0.000 3.518 188 G HA2 0.443 4.403 3.960 -0.000 0.000 0.273 188 G HA3 0.443 4.403 3.960 -0.000 0.000 0.273 188 G C 0.299 175.284 174.900 0.141 0.000 1.199 188 G CA 0.376 45.552 45.100 0.126 0.000 0.899 188 G HN 0.674 nan 8.290 nan 0.000 0.533 189 A N -0.982 122.008 122.820 0.283 0.000 2.470 189 A HA 0.697 5.017 4.320 -0.000 0.000 0.271 189 A C 0.434 178.133 177.584 0.193 0.000 1.269 189 A CA -0.649 51.422 52.037 0.057 0.000 0.828 189 A CB 0.206 18.980 19.000 -0.377 0.000 1.374 189 A HN 0.599 nan 8.150 nan 0.000 0.454 190 H N -1.070 118.111 119.070 0.185 0.000 2.741 190 H HA -0.188 4.368 4.556 -0.000 0.000 0.305 190 H C 1.250 176.463 175.328 -0.193 0.000 1.169 190 H CA 1.143 57.253 56.048 0.105 0.000 1.144 190 H CB -1.484 28.425 29.762 0.245 0.000 1.397 190 H HN 2.227 nan 8.280 nan 0.000 0.409 191 G N -1.857 106.925 108.800 -0.031 0.000 2.166 191 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.260 191 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.260 191 G C 0.102 174.877 174.900 -0.209 0.000 0.986 191 G CA 0.729 45.739 45.100 -0.149 0.000 0.683 191 G HN 0.535 nan 8.290 nan 0.000 0.527 192 Y N -1.345 119.080 120.300 0.208 0.000 2.314 192 Y HA 0.530 5.080 4.550 -0.000 0.000 0.359 192 Y C 1.841 177.864 175.900 0.205 0.000 1.360 192 Y CA -0.546 57.678 58.100 0.207 0.000 1.697 192 Y CB -0.359 38.259 38.460 0.264 0.000 1.630 192 Y HN 0.025 nan 8.280 nan 0.000 0.583 193 L N 0.572 122.070 121.223 0.458 0.000 2.021 193 L HA -0.245 4.095 4.340 -0.000 0.000 0.215 193 L C 1.840 179.034 176.870 0.541 0.000 1.074 193 L CA 1.852 56.948 54.840 0.427 0.000 0.760 193 L CB -0.886 41.439 42.059 0.443 0.000 0.889 193 L HN 0.690 nan 8.230 nan 0.000 0.433 194 I N -0.891 119.994 120.570 0.524 0.000 2.202 194 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 194 I C 2.149 178.484 176.117 0.364 0.000 1.091 194 I CA 1.540 63.116 61.300 0.459 0.000 1.368 194 I CB -0.525 37.545 38.000 0.117 0.000 1.058 194 I HN 0.300 nan 8.210 nan 0.000 0.410 195 D N 0.667 121.221 120.400 0.257 0.000 2.218 195 D HA -0.202 4.438 4.640 -0.000 0.000 0.204 195 D C 2.213 178.593 176.300 0.132 0.000 0.976 195 D CA 1.247 55.342 54.000 0.158 0.000 0.853 195 D CB 0.052 40.918 40.800 0.109 0.000 0.939 195 D HN 0.298 nan 8.370 nan 0.000 0.481 196 Q N -1.306 118.584 119.800 0.149 0.000 2.124 196 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 196 Q C 1.755 177.728 176.000 -0.046 0.000 0.977 196 Q CA 1.057 56.868 55.803 0.014 0.000 0.850 196 Q CB -0.112 28.605 28.738 -0.035 0.000 0.901 196 Q HN 0.380 nan 8.270 nan 0.000 0.429 197 F N -0.552 119.413 119.950 0.026 0.000 2.293 197 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 197 F C 2.096 177.926 175.800 0.049 0.000 1.089 197 F CA 0.837 58.846 58.000 0.016 0.000 1.377 197 F CB 0.000 39.031 39.000 0.051 0.000 1.051 197 F HN 0.054 nan 8.300 nan 0.000 0.511 198 M N -0.636 119.103 119.600 0.233 0.000 2.156 198 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 198 M C 0.462 176.786 176.300 0.040 0.000 1.067 198 M CA 1.151 56.526 55.300 0.125 0.000 1.131 198 M CB -0.068 32.590 32.600 0.096 0.000 1.368 198 M HN -0.322 nan 8.290 nan 0.000 0.416 199 K N 1.989 122.396 120.400 0.012 0.000 2.339 199 K HA 0.012 4.332 4.320 -0.000 0.000 0.286 199 K C 0.132 176.709 176.600 -0.039 0.000 1.050 199 K CA 0.179 56.447 56.287 -0.032 0.000 0.956 199 K CB 0.575 33.045 32.500 -0.050 0.000 0.990 199 K HN 0.299 nan 8.250 nan 0.000 0.475 200 D N 1.355 121.731 120.400 -0.039 0.000 2.363 200 D HA -0.121 4.519 4.640 -0.000 0.000 0.220 200 D C 0.638 176.917 176.300 -0.035 0.000 0.994 200 D CA 0.775 54.754 54.000 -0.036 0.000 0.890 200 D CB 0.351 41.133 40.800 -0.030 0.000 0.906 200 D HN 0.283 nan 8.370 nan 0.000 0.530 201 Q N -0.008 119.772 119.800 -0.034 0.000 2.425 201 Q HA 0.121 4.461 4.340 -0.000 0.000 0.204 201 Q C 1.402 177.372 176.000 -0.050 0.000 0.933 201 Q CA 0.301 56.088 55.803 -0.027 0.000 0.939 201 Q CB 1.137 29.873 28.738 -0.002 0.000 1.044 201 Q HN 0.394 nan 8.270 nan 0.000 0.513 202 V N -0.063 119.808 119.914 -0.071 0.000 3.058 202 V HA 0.073 4.193 4.120 -0.000 0.000 0.233 202 V C 0.772 176.784 176.094 -0.137 0.000 1.255 202 V CA -0.048 62.188 62.300 -0.106 0.000 1.267 202 V CB 0.187 31.938 31.823 -0.119 0.000 1.049 202 V HN 0.204 nan 8.190 nan 0.000 0.486 203 N N 3.067 121.689 118.700 -0.131 0.000 2.421 203 N HA 0.008 4.748 4.740 -0.000 0.000 0.260 203 N C -0.298 175.154 175.510 -0.097 0.000 1.173 203 N CA 0.267 53.226 53.050 -0.152 0.000 0.960 203 N CB 0.620 39.045 38.487 -0.103 0.000 1.273 203 N HN 0.567 nan 8.380 nan 0.000 0.497 204 D N 2.085 122.422 120.400 -0.104 0.000 2.559 204 D HA 0.073 4.713 4.640 -0.000 0.000 0.234 204 D C 0.118 176.385 176.300 -0.055 0.000 1.226 204 D CA -0.316 53.644 54.000 -0.067 0.000 0.830 204 D CB 0.018 40.781 40.800 -0.063 0.000 1.028 204 D HN 0.282 nan 8.370 nan 0.000 0.492 205 R N 0.052 120.519 120.500 -0.055 0.000 2.694 205 R HA 0.291 4.630 4.340 -0.000 0.000 0.268 205 R C 0.761 177.065 176.300 0.006 0.000 1.061 205 R CA 0.227 56.315 56.100 -0.020 0.000 1.133 205 R CB 0.555 30.865 30.300 0.016 0.000 1.020 205 R HN 0.129 nan 8.270 nan 0.000 0.475 206 S N -0.927 114.782 115.700 0.015 0.000 2.663 206 S HA 0.034 4.504 4.470 -0.000 0.000 0.243 206 S C 0.005 174.623 174.600 0.029 0.000 1.009 206 S CA -0.635 57.574 58.200 0.016 0.000 0.988 206 S CB -0.109 63.094 63.200 0.005 0.000 0.896 206 S HN 0.692 nan 8.310 nan 0.000 0.502 207 D N 2.490 122.925 120.400 0.058 0.000 2.538 207 D HA 0.171 4.811 4.640 -0.000 0.000 0.262 207 D C 1.015 177.350 176.300 0.059 0.000 1.186 207 D CA -0.700 53.341 54.000 0.069 0.000 1.090 207 D CB 0.251 41.119 40.800 0.112 0.000 1.187 207 D HN 0.208 nan 8.370 nan 0.000 0.614 208 K N -1.242 119.179 120.400 0.034 0.000 2.486 208 K HA -0.048 4.272 4.320 -0.000 0.000 0.194 208 K C 0.515 177.019 176.600 -0.160 0.000 1.033 208 K CA 0.703 56.934 56.287 -0.093 0.000 1.004 208 K CB -0.416 31.966 32.500 -0.196 0.000 0.798 208 K HN 0.273 nan 8.250 nan 0.000 0.495 209 Y N 0.962 121.306 120.300 0.073 0.000 2.658 209 Y HA 0.356 4.905 4.550 -0.000 0.000 0.276 209 Y C 0.844 176.821 175.900 0.128 0.000 1.167 209 Y CA -0.344 57.833 58.100 0.128 0.000 1.230 209 Y CB 1.284 39.863 38.460 0.198 0.000 1.144 209 Y HN 0.257 nan 8.280 nan 0.000 0.529 210 G N -2.526 106.373 108.800 0.164 0.000 2.682 210 G HA2 0.448 4.408 3.960 -0.000 0.000 0.303 210 G HA3 0.448 4.408 3.960 -0.000 0.000 0.303 210 G C 0.497 175.417 174.900 0.033 0.000 1.341 210 G CA -0.225 44.929 45.100 0.090 0.000 0.784 210 G HN 0.293 nan 8.290 nan 0.000 0.497 211 G N -1.251 107.555 108.800 0.009 0.000 2.347 211 G HA2 0.048 4.008 3.960 -0.000 0.000 0.247 211 G HA3 0.048 4.008 3.960 -0.000 0.000 0.247 211 G C 0.753 175.640 174.900 -0.021 0.000 1.037 211 G CA 1.646 46.742 45.100 -0.007 0.000 0.622 211 G HN 2.409 nan 8.290 nan 0.000 0.521 212 S N -1.398 114.284 115.700 -0.030 0.000 2.638 212 S HA 0.722 5.192 4.470 -0.000 0.000 0.274 212 S C 0.677 175.216 174.600 -0.101 0.000 1.157 212 S CA 0.153 58.316 58.200 -0.061 0.000 0.826 212 S CB 1.714 64.877 63.200 -0.061 0.000 1.139 212 S HN 1.092 nan 8.310 nan 0.000 0.474 213 L N 1.488 122.607 121.223 -0.173 0.000 2.012 213 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 213 L C 2.635 179.256 176.870 -0.414 0.000 1.073 213 L CA 2.441 57.096 54.840 -0.308 0.000 0.748 213 L CB -0.852 40.947 42.059 -0.432 0.000 0.891 213 L HN 1.021 nan 8.230 nan 0.000 0.431 214 E N -0.709 119.258 120.200 -0.388 0.000 2.038 214 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 214 E C 1.879 178.452 176.600 -0.045 0.000 1.000 214 E CA 1.745 58.022 56.400 -0.206 0.000 0.803 214 E CB -0.054 29.620 29.700 -0.043 0.000 0.750 214 E HN 0.564 nan 8.360 nan 0.000 0.448 215 N N 0.474 119.148 118.700 -0.043 0.000 2.120 215 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 215 N C 1.740 177.307 175.510 0.094 0.000 1.024 215 N CA 1.131 54.181 53.050 0.000 0.000 0.852 215 N CB -0.285 38.198 38.487 -0.006 0.000 1.003 215 N HN 0.145 nan 8.380 nan 0.000 0.424 216 R N -0.473 120.071 120.500 0.074 0.000 2.193 216 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 216 R C 1.132 177.549 176.300 0.195 0.000 1.110 216 R CA 0.810 56.998 56.100 0.146 0.000 0.988 216 R CB -0.320 30.016 30.300 0.060 0.000 0.871 216 R HN 0.306 nan 8.270 nan 0.000 0.458 217 C N -0.677 118.708 119.300 0.141 0.000 2.799 217 C HA 0.175 4.635 4.460 -0.000 0.000 0.267 217 C C 2.367 177.465 174.990 0.181 0.000 1.257 217 C CA -0.638 58.490 59.018 0.182 0.000 1.702 217 C CB -0.643 27.256 27.740 0.265 0.000 1.934 217 C HN 0.448 nan 8.230 nan 0.000 0.594 218 R N 0.689 121.298 120.500 0.181 0.000 2.096 218 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 218 R C 2.060 178.484 176.300 0.207 0.000 1.139 218 R CA 1.911 58.097 56.100 0.144 0.000 0.952 218 R CB -0.511 29.790 30.300 0.002 0.000 0.854 218 R HN 0.461 nan 8.270 nan 0.000 0.436 219 F N 1.074 121.090 119.950 0.110 0.000 2.046 219 F HA -0.195 4.332 4.527 0.000 0.000 0.297 219 F C 2.199 177.897 175.800 -0.170 0.000 1.123 219 F CA 1.669 59.594 58.000 -0.124 0.000 1.199 219 F CB -0.945 37.698 39.000 -0.595 0.000 0.972 219 F HN 0.142 nan 8.300 nan 0.000 0.474 220 A N 0.721 123.427 122.820 -0.190 0.000 1.892 220 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 220 A C 2.397 179.780 177.584 -0.335 0.000 1.188 220 A CA 2.103 53.938 52.037 -0.337 0.000 0.631 220 A CB -1.340 17.585 19.000 -0.125 0.000 0.822 220 A HN 0.524 nan 8.150 nan 0.000 0.447 221 L N -0.865 120.249 121.223 -0.182 0.000 2.093 221 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 221 L C 2.592 179.343 176.870 -0.198 0.000 1.085 221 L CA 1.514 56.234 54.840 -0.200 0.000 0.755 221 L CB -0.669 41.373 42.059 -0.028 0.000 0.904 221 L HN 0.505 nan 8.230 nan 0.000 0.435 222 E N 0.320 120.440 120.200 -0.134 0.000 2.110 222 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 222 E C 2.268 178.749 176.600 -0.199 0.000 0.988 222 E CA 1.119 57.463 56.400 -0.094 0.000 0.804 222 E CB -0.051 29.646 29.700 -0.004 0.000 0.745 222 E HN 0.529 nan 8.360 nan 0.000 0.458 223 I N 0.620 120.960 120.570 -0.383 0.000 2.252 223 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 223 I C 2.384 178.291 176.117 -0.349 0.000 1.102 223 I CA 0.683 61.713 61.300 -0.451 0.000 1.385 223 I CB -0.213 37.295 38.000 -0.820 0.000 1.064 223 I HN -0.031 nan 8.210 nan 0.000 0.414 224 V N 0.852 120.527 119.914 -0.399 0.000 2.332 224 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 224 V C 2.473 178.388 176.094 -0.299 0.000 1.055 224 V CA 2.189 64.241 62.300 -0.412 0.000 1.038 224 V CB -0.631 30.800 31.823 -0.652 0.000 0.651 224 V HN 0.480 nan 8.190 nan 0.000 0.450 225 E N 0.132 120.194 120.200 -0.230 0.000 2.017 225 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 225 E C 2.291 178.893 176.600 0.003 0.000 0.997 225 E CA 1.396 57.815 56.400 0.032 0.000 0.804 225 E CB -0.332 29.450 29.700 0.138 0.000 0.757 225 E HN 0.525 nan 8.360 nan 0.000 0.448 226 A N 0.451 123.248 122.820 -0.039 0.000 1.917 226 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 226 A C 2.416 179.985 177.584 -0.026 0.000 1.182 226 A CA 1.815 53.838 52.037 -0.023 0.000 0.633 226 A CB -0.809 18.174 19.000 -0.029 0.000 0.819 226 A HN 0.249 nan 8.150 nan 0.000 0.448 227 V N -0.319 119.559 119.914 -0.060 0.000 2.307 227 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 227 V C 3.065 179.135 176.094 -0.040 0.000 1.045 227 V CA 1.879 64.147 62.300 -0.054 0.000 1.024 227 V CB -1.359 30.410 31.823 -0.091 0.000 0.651 227 V HN 0.626 nan 8.190 nan 0.000 0.449 228 A N 0.651 123.451 122.820 -0.034 0.000 1.908 228 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 228 A C 2.062 179.657 177.584 0.018 0.000 1.181 228 A CA 2.196 54.237 52.037 0.006 0.000 0.627 228 A CB -0.712 18.327 19.000 0.065 0.000 0.818 228 A HN 0.610 nan 8.150 nan 0.000 0.445 229 N N -0.502 118.212 118.700 0.023 0.000 2.244 229 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 229 N C 1.731 177.246 175.510 0.008 0.000 1.016 229 N CA 1.579 54.641 53.050 0.020 0.000 0.866 229 N CB -0.278 38.223 38.487 0.024 0.000 0.980 229 N HN 0.709 nan 8.380 nan 0.000 0.430 230 E N 1.335 121.536 120.200 0.001 0.000 2.072 230 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 230 E C 1.691 178.286 176.600 -0.009 0.000 0.982 230 E CA 0.932 57.331 56.400 -0.003 0.000 0.803 230 E CB -0.024 29.674 29.700 -0.003 0.000 0.755 230 E HN 0.569 nan 8.360 nan 0.000 0.453 231 I N -4.109 116.451 120.570 -0.017 0.000 4.240 231 I HA 0.519 4.689 4.170 -0.000 0.000 0.331 231 I C 0.456 176.562 176.117 -0.018 0.000 1.381 231 I CA 0.062 61.348 61.300 -0.024 0.000 1.136 231 I CB 0.939 38.911 38.000 -0.047 0.000 1.137 231 I HN 0.110 nan 8.210 nan 0.000 0.411 232 G N 2.292 111.088 108.800 -0.007 0.000 3.190 232 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 232 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 232 G C 0.447 175.356 174.900 0.015 0.000 1.033 232 G CA -0.071 45.032 45.100 0.005 0.000 0.797 232 G HN 0.559 nan 8.290 nan 0.000 0.567 233 S N 0.257 115.978 115.700 0.035 0.000 2.440 233 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 233 S C 1.670 176.316 174.600 0.077 0.000 1.010 233 S CA 1.862 60.095 58.200 0.056 0.000 0.972 233 S CB -0.159 63.091 63.200 0.084 0.000 0.774 233 S HN 1.050 nan 8.310 nan 0.000 0.501 234 D N 0.880 121.326 120.400 0.077 0.000 2.363 234 D HA -0.068 4.572 4.640 -0.000 0.000 0.226 234 D C 1.264 177.705 176.300 0.235 0.000 1.020 234 D CA 0.224 54.300 54.000 0.127 0.000 0.892 234 D CB -0.181 40.650 40.800 0.052 0.000 0.900 234 D HN 0.471 nan 8.370 nan 0.000 0.531 235 R N 0.290 120.871 120.500 0.136 0.000 2.596 235 R HA 0.275 4.615 4.340 -0.000 0.000 0.369 235 R C -0.588 175.645 176.300 -0.112 0.000 1.042 235 R CA -0.140 55.989 56.100 0.048 0.000 1.120 235 R CB 1.835 32.107 30.300 -0.045 0.000 1.353 235 R HN -0.012 nan 8.270 nan 0.000 0.564 236 V N 0.164 120.089 119.914 0.019 0.000 2.540 236 V HA 0.682 4.802 4.120 -0.000 0.000 0.302 236 V C 0.322 176.336 176.094 -0.134 0.000 1.035 236 V CA -0.859 61.403 62.300 -0.062 0.000 0.873 236 V CB 1.840 33.616 31.823 -0.078 0.000 0.992 236 V HN 0.297 nan 8.190 nan 0.000 0.428 237 G N 2.844 111.469 108.800 -0.291 0.000 2.816 237 G HA2 0.885 4.845 3.960 -0.000 0.000 0.288 237 G HA3 0.885 4.845 3.960 -0.000 0.000 0.288 237 G C -1.575 173.092 174.900 -0.389 0.000 1.334 237 G CA -0.721 43.905 45.100 -0.791 0.000 0.978 237 G HN 0.773 nan 8.290 nan 0.000 0.493 238 I N -0.681 119.712 120.570 -0.294 0.000 2.722 238 I HA 0.592 4.762 4.170 -0.000 0.000 0.292 238 I C -1.119 174.959 176.117 -0.064 0.000 1.267 238 I CA -0.962 60.247 61.300 -0.151 0.000 1.036 238 I CB 2.183 40.074 38.000 -0.181 0.000 1.281 238 I HN 0.563 nan 8.210 nan 0.000 0.423 239 R N 7.725 128.163 120.500 -0.104 0.000 2.514 239 R HA 0.811 5.151 4.340 -0.000 0.000 0.301 239 R C -1.330 174.857 176.300 -0.188 0.000 0.962 239 R CA -0.564 55.422 56.100 -0.191 0.000 0.882 239 R CB 1.576 31.626 30.300 -0.417 0.000 1.143 239 R HN 0.697 nan 8.270 nan 0.000 0.452 240 I N -0.431 120.023 120.570 -0.193 0.000 2.994 240 I HA 0.540 4.710 4.170 -0.000 0.000 0.306 240 I C -0.994 175.040 176.117 -0.138 0.000 1.195 240 I CA -0.863 60.355 61.300 -0.136 0.000 1.001 240 I CB 2.759 40.703 38.000 -0.094 0.000 1.244 240 I HN 0.644 nan 8.210 nan 0.000 0.437 241 S N 1.339 116.983 115.700 -0.093 0.000 2.440 241 S HA 0.458 4.928 4.470 -0.000 0.000 0.142 241 S C -2.497 172.078 174.600 -0.043 0.000 1.578 241 S CA -0.903 57.282 58.200 -0.025 0.000 1.260 241 S CB 0.695 63.893 63.200 -0.004 0.000 1.407 241 S HN 0.594 nan 8.310 nan 0.000 0.392 242 P HA -0.061 nan 4.420 nan 0.000 0.216 242 P C 0.642 177.670 177.300 -0.452 0.000 1.150 242 P CA 1.172 64.061 63.100 -0.352 0.000 0.843 242 P CB -0.158 31.208 31.700 -0.558 0.000 0.787 243 F N -1.131 118.818 119.950 -0.002 0.000 2.743 243 F HA 0.249 4.776 4.527 -0.000 0.000 0.297 243 F C 1.529 177.310 175.800 -0.030 0.000 1.131 243 F CA -0.339 57.661 58.000 0.001 0.000 1.426 243 F CB -0.793 38.245 39.000 0.064 0.000 1.116 243 F HN -0.196 nan 8.300 nan 0.000 0.583 244 A N -0.092 122.788 122.820 0.100 0.000 2.407 244 A HA 0.180 4.500 4.320 -0.000 0.000 0.248 244 A C 0.586 178.118 177.584 -0.086 0.000 1.082 244 A CA -0.070 52.035 52.037 0.113 0.000 0.785 244 A CB 0.043 19.161 19.000 0.196 0.000 1.020 244 A HN 0.439 nan 8.150 nan 0.000 0.489 245 H N 0.536 119.696 119.070 0.150 0.000 2.893 245 H HA 0.065 4.621 4.556 -0.000 0.000 0.270 245 H C -0.580 174.819 175.328 0.119 0.000 1.095 245 H CA -0.169 55.943 56.048 0.107 0.000 1.186 245 H CB 0.077 29.891 29.762 0.085 0.000 1.562 245 H HN 0.793 nan 8.280 nan 0.000 0.536 246 Y N 2.965 123.314 120.300 0.082 0.000 2.811 246 Y HA -0.191 4.359 4.550 0.000 0.000 0.334 246 Y C 0.586 176.456 175.900 -0.051 0.000 1.247 246 Y CA 0.459 58.570 58.100 0.018 0.000 1.526 246 Y CB 0.238 38.693 38.460 -0.009 0.000 1.284 246 Y HN 0.248 nan 8.280 nan 0.000 0.586 247 N N 3.932 122.379 118.700 -0.421 0.000 2.776 247 N HA -0.260 4.480 4.740 -0.000 0.000 0.249 247 N C -0.427 174.938 175.510 -0.242 0.000 1.111 247 N CA 1.379 54.173 53.050 -0.427 0.000 0.711 247 N CB -1.337 36.865 38.487 -0.475 0.000 1.065 247 N HN 0.921 nan 8.380 nan 0.000 0.556 248 E N -2.763 117.357 120.200 -0.133 0.000 2.440 248 E HA -0.267 4.083 4.350 -0.000 0.000 0.246 248 E C 0.010 176.578 176.600 -0.053 0.000 1.165 248 E CA 0.854 57.214 56.400 -0.068 0.000 0.726 248 E CB -1.367 28.267 29.700 -0.109 0.000 1.271 248 E HN 0.589 nan 8.360 nan 0.000 0.397 249 A N 0.660 123.456 122.820 -0.040 0.000 3.154 249 A HA 0.566 4.886 4.320 -0.000 0.000 0.310 249 A C 0.713 178.247 177.584 -0.083 0.000 1.093 249 A CA 0.143 52.146 52.037 -0.057 0.000 1.006 249 A CB 0.469 19.427 19.000 -0.070 0.000 1.084 249 A HN 0.300 nan 8.150 nan 0.000 0.549 250 G N -0.527 108.240 108.800 -0.056 0.000 2.543 250 G HA2 0.497 4.457 3.960 -0.000 0.000 0.290 250 G HA3 0.497 4.457 3.960 -0.000 0.000 0.290 250 G C -0.865 173.966 174.900 -0.115 0.000 1.310 250 G CA -0.239 44.724 45.100 -0.228 0.000 1.025 250 G HN 0.340 nan 8.290 nan 0.000 0.502 251 D N -2.228 118.107 120.400 -0.108 0.000 2.859 251 D HA 0.206 4.846 4.640 -0.000 0.000 0.223 251 D C 1.311 177.615 176.300 0.007 0.000 1.218 251 D CA -0.042 53.926 54.000 -0.053 0.000 0.850 251 D CB 1.882 42.623 40.800 -0.098 0.000 1.656 251 D HN 0.367 nan 8.370 nan 0.000 0.484 252 T N 0.253 114.814 114.554 0.013 0.000 2.915 252 T HA -0.041 4.309 4.350 -0.000 0.000 0.269 252 T C 0.877 175.594 174.700 0.029 0.000 1.071 252 T CA 0.653 62.772 62.100 0.033 0.000 1.132 252 T CB 0.113 68.993 68.868 0.020 0.000 0.878 252 T HN 0.208 nan 8.240 nan 0.000 0.479 253 N N 1.541 120.241 118.700 0.000 0.000 2.765 253 N HA 0.339 5.079 4.740 -0.000 0.000 0.277 253 N C -2.468 173.014 175.510 -0.047 0.000 1.750 253 N CA -1.895 51.155 53.050 0.000 0.000 0.827 253 N CB 1.636 40.121 38.487 -0.003 0.000 1.200 253 N HN 0.101 nan 8.380 nan 0.000 0.494 254 P HA -0.173 nan 4.420 nan 0.000 0.214 254 P C 1.580 178.645 177.300 -0.391 0.000 1.163 254 P CA 1.943 64.850 63.100 -0.321 0.000 0.889 254 P CB 0.122 31.634 31.700 -0.313 0.000 0.790 255 T N -2.475 112.032 114.554 -0.080 0.000 2.720 255 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 255 T C 1.922 176.648 174.700 0.044 0.000 1.037 255 T CA 1.545 63.702 62.100 0.096 0.000 1.144 255 T CB -1.330 67.685 68.868 0.246 0.000 0.864 255 T HN 0.032 nan 8.240 nan 0.000 0.444 256 A N 1.415 124.254 122.820 0.031 0.000 1.930 256 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 256 A C 2.341 179.956 177.584 0.052 0.000 1.175 256 A CA 1.475 53.542 52.037 0.050 0.000 0.627 256 A CB -0.856 18.165 19.000 0.034 0.000 0.815 256 A HN 0.496 nan 8.150 nan 0.000 0.443 257 L N 0.246 121.458 121.223 -0.019 0.000 2.017 257 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 257 L C 2.344 179.231 176.870 0.028 0.000 1.073 257 L CA 2.464 57.299 54.840 -0.009 0.000 0.745 257 L CB -1.257 40.751 42.059 -0.086 0.000 0.894 257 L HN 0.275 nan 8.230 nan 0.000 0.432 258 G N -0.394 108.369 108.800 -0.062 0.000 2.421 258 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.216 258 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.216 258 G C 1.607 176.557 174.900 0.083 0.000 1.171 258 G CA 1.005 46.096 45.100 -0.015 0.000 0.775 258 G HN 0.421 nan 8.290 nan 0.000 0.543 259 L N -0.645 120.642 121.223 0.106 0.000 2.017 259 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 259 L C 2.528 179.472 176.870 0.123 0.000 1.073 259 L CA 1.843 56.756 54.840 0.122 0.000 0.745 259 L CB -0.729 41.401 42.059 0.118 0.000 0.894 259 L HN 0.342 nan 8.230 nan 0.000 0.432 260 Y N -0.966 119.358 120.300 0.040 0.000 2.128 260 Y HA -0.331 4.219 4.550 -0.000 0.000 0.284 260 Y C 2.432 178.363 175.900 0.052 0.000 1.154 260 Y CA 2.194 60.319 58.100 0.041 0.000 1.149 260 Y CB -0.149 38.326 38.460 0.026 0.000 0.976 260 Y HN 0.164 nan 8.280 nan 0.000 0.505 261 M N -0.251 119.413 119.600 0.107 0.000 2.086 261 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 261 M C 2.386 178.682 176.300 -0.007 0.000 1.067 261 M CA 1.959 57.276 55.300 0.027 0.000 1.116 261 M CB -1.582 31.051 32.600 0.055 0.000 1.348 261 M HN 0.401 nan 8.290 nan 0.000 0.407 262 V N -1.571 118.372 119.914 0.047 0.000 2.407 262 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 262 V C 1.861 178.068 176.094 0.188 0.000 1.055 262 V CA 1.727 64.107 62.300 0.132 0.000 1.049 262 V CB -1.271 30.673 31.823 0.202 0.000 0.662 262 V HN 0.452 nan 8.190 nan 0.000 0.455 263 E N 1.294 121.530 120.200 0.060 0.000 2.106 263 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 263 E C 2.393 178.977 176.600 -0.027 0.000 0.984 263 E CA 1.569 57.977 56.400 0.014 0.000 0.806 263 E CB -0.264 29.409 29.700 -0.045 0.000 0.750 263 E HN 0.688 nan 8.360 nan 0.000 0.458 264 S N 1.065 116.690 115.700 -0.125 0.000 2.406 264 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 264 S C 1.980 176.678 174.600 0.163 0.000 1.020 264 S CA 0.560 58.712 58.200 -0.080 0.000 0.965 264 S CB -0.039 63.013 63.200 -0.247 0.000 0.798 264 S HN 0.164 nan 8.310 nan 0.000 0.488 265 L N 1.710 123.036 121.223 0.172 0.000 2.376 265 L HA -0.004 4.336 4.340 -0.000 0.000 0.219 265 L C 2.070 179.176 176.870 0.393 0.000 1.133 265 L CA 0.361 55.376 54.840 0.291 0.000 0.816 265 L CB -0.538 41.633 42.059 0.187 0.000 0.933 265 L HN 0.228 nan 8.230 nan 0.000 0.449 266 N N 1.355 120.214 118.700 0.266 0.000 2.104 266 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 266 N C 1.762 177.304 175.510 0.053 0.000 1.024 266 N CA 1.594 54.710 53.050 0.111 0.000 0.853 266 N CB -0.174 38.325 38.487 0.020 0.000 1.008 266 N HN 0.506 nan 8.380 nan 0.000 0.424 267 K N -0.211 120.192 120.400 0.005 0.000 2.280 267 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 267 K C 1.070 177.541 176.600 -0.216 0.000 1.047 267 K CA 1.162 57.356 56.287 -0.154 0.000 0.942 267 K CB -0.364 31.963 32.500 -0.289 0.000 0.739 267 K HN 0.248 nan 8.250 nan 0.000 0.457 268 Y N 1.299 121.601 120.300 0.005 0.000 2.523 268 Y HA 0.025 4.575 4.550 -0.000 0.000 0.279 268 Y C -0.045 175.864 175.900 0.013 0.000 1.139 268 Y CA 0.345 58.448 58.100 0.005 0.000 1.296 268 Y CB -0.095 38.367 38.460 0.004 0.000 1.045 268 Y HN 0.203 nan 8.280 nan 0.000 0.538 269 D N 0.766 121.255 120.400 0.148 0.000 2.737 269 D HA -0.198 4.442 4.640 -0.000 0.000 0.238 269 D C -0.636 175.740 176.300 0.126 0.000 1.157 269 D CA 0.293 54.349 54.000 0.093 0.000 0.694 269 D CB -1.054 39.770 40.800 0.040 0.000 1.021 269 D HN 0.238 nan 8.370 nan 0.000 0.420 270 L N -0.110 121.217 121.223 0.172 0.000 2.475 270 L HA 0.475 4.815 4.340 -0.000 0.000 0.253 270 L C 2.180 179.148 176.870 0.164 0.000 1.198 270 L CA -0.226 54.697 54.840 0.139 0.000 0.814 270 L CB 0.252 42.373 42.059 0.103 0.000 1.134 270 L HN 0.204 nan 8.230 nan 0.000 0.478 271 A N 1.074 123.980 122.820 0.143 0.000 2.015 271 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 271 A C 0.271 178.036 177.584 0.302 0.000 1.163 271 A CA 1.497 53.681 52.037 0.246 0.000 0.646 271 A CB -0.324 18.907 19.000 0.384 0.000 0.806 271 A HN 0.762 nan 8.150 nan 0.000 0.448 272 Y N -5.262 115.145 120.300 0.177 0.000 2.774 272 Y HA 0.510 5.060 4.550 -0.000 0.000 0.346 272 Y C -1.237 174.691 175.900 0.047 0.000 1.222 272 Y CA -2.013 56.172 58.100 0.142 0.000 1.088 272 Y CB 0.043 38.492 38.460 -0.018 0.000 1.354 272 Y HN 0.179 nan 8.280 nan 0.000 0.455 273 C N 2.915 122.371 119.300 0.260 0.000 2.381 273 C HA 0.565 5.025 4.460 -0.000 0.000 0.328 273 C C -1.306 173.610 174.990 -0.123 0.000 1.190 273 C CA -0.199 58.746 59.018 -0.122 0.000 1.369 273 C CB -0.455 26.820 27.740 -0.776 0.000 2.029 273 C HN 0.938 nan 8.230 nan 0.000 0.448 274 H N 4.420 123.430 119.070 -0.101 0.000 2.594 274 H HA 0.672 5.228 4.556 0.000 0.000 0.304 274 H C -0.927 174.204 175.328 -0.329 0.000 1.068 274 H CA 0.054 55.954 56.048 -0.247 0.000 1.308 274 H CB 1.152 30.865 29.762 -0.083 0.000 1.409 274 H HN 0.546 nan 8.280 nan 0.000 0.460 275 V N 6.219 126.033 119.914 -0.167 0.000 2.656 275 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 275 V C -0.166 175.901 176.094 -0.046 0.000 1.051 275 V CA -0.954 61.238 62.300 -0.179 0.000 0.893 275 V CB 2.131 33.791 31.823 -0.272 0.000 0.999 275 V HN 0.500 nan 8.190 nan 0.000 0.426 276 V N 3.655 123.562 119.914 -0.012 0.000 2.465 276 V HA 0.314 4.434 4.120 -0.000 0.000 0.279 276 V C 0.511 176.693 176.094 0.147 0.000 1.045 276 V CA -0.666 61.671 62.300 0.062 0.000 0.938 276 V CB 1.236 33.099 31.823 0.066 0.000 0.986 276 V HN 0.829 nan 8.190 nan 0.000 0.467 277 E N 4.684 124.971 120.200 0.146 0.000 2.422 277 E HA 0.195 4.545 4.350 -0.000 0.000 0.260 277 E C -2.191 174.462 176.600 0.089 0.000 1.108 277 E CA -1.180 55.291 56.400 0.119 0.000 0.943 277 E CB 0.348 30.108 29.700 0.100 0.000 0.961 277 E HN 0.482 nan 8.360 nan 0.000 0.443 278 P HA 0.280 nan 4.420 nan 0.000 0.277 278 P C -0.067 177.237 177.300 0.007 0.000 1.271 278 P CA 0.325 63.413 63.100 -0.019 0.000 0.795 278 P CB 0.466 31.988 31.700 -0.297 0.000 1.101 291 E N 0.487 120.676 120.200 -0.019 0.000 4.220 291 E HA -0.003 4.347 4.350 -0.000 0.000 0.160 291 E C -0.368 175.941 176.600 -0.486 0.000 1.630 291 E CA 1.045 57.176 56.400 -0.448 0.000 0.960 291 E CB -1.396 28.090 29.700 -0.358 0.000 1.061 291 E HN 1.273 nan 8.360 nan 0.000 0.360 292 S N 1.915 117.354 115.700 -0.435 0.000 2.567 292 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 292 S C 0.134 174.724 174.600 -0.017 0.000 1.152 292 S CA -0.856 57.227 58.200 -0.194 0.000 0.835 292 S CB 1.366 64.529 63.200 -0.062 0.000 1.115 292 S HN 0.326 nan 8.310 nan 0.000 0.459 293 L N 2.984 124.256 121.223 0.081 0.000 2.585 293 L HA 0.184 4.524 4.340 -0.000 0.000 0.226 293 L C 1.912 178.869 176.870 0.146 0.000 1.113 293 L CA 0.102 55.090 54.840 0.247 0.000 0.876 293 L CB -0.316 41.970 42.059 0.378 0.000 1.072 293 L HN 0.572 nan 8.230 nan 0.000 0.468 294 V N 1.205 121.159 119.914 0.067 0.000 2.231 294 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 294 V C -0.026 176.057 176.094 -0.019 0.000 1.054 294 V CA 2.218 64.519 62.300 0.002 0.000 1.015 294 V CB -1.588 30.239 31.823 0.007 0.000 0.638 294 V HN 0.346 nan 8.190 nan 0.000 0.444 295 P HA -0.178 nan 4.420 nan 0.000 0.216 295 P C 1.925 179.243 177.300 0.030 0.000 1.150 295 P CA 1.733 64.857 63.100 0.040 0.000 0.843 295 P CB -0.121 31.629 31.700 0.083 0.000 0.787 296 M N -2.036 117.603 119.600 0.066 0.000 2.200 296 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 296 M C 2.379 178.591 176.300 -0.146 0.000 1.066 296 M CA 1.351 56.703 55.300 0.087 0.000 1.127 296 M CB -0.417 32.351 32.600 0.279 0.000 1.379 296 M HN -0.203 nan 8.290 nan 0.000 0.420 297 R N 1.322 121.521 120.500 -0.502 0.000 2.075 297 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 297 R C 1.731 177.815 176.300 -0.360 0.000 1.126 297 R CA 1.643 57.161 56.100 -0.970 0.000 0.963 297 R CB -0.259 29.520 30.300 -0.868 0.000 0.858 297 R HN 0.374 nan 8.270 nan 0.000 0.435 298 K N -0.395 119.892 120.400 -0.188 0.000 2.148 298 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 298 K C 1.914 178.487 176.600 -0.045 0.000 1.050 298 K CA 1.327 57.559 56.287 -0.091 0.000 0.942 298 K CB -0.030 32.439 32.500 -0.051 0.000 0.724 298 K HN 0.153 nan 8.250 nan 0.000 0.446 299 A N 0.242 123.055 122.820 -0.011 0.000 2.072 299 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 299 A C 0.518 178.155 177.584 0.089 0.000 1.156 299 A CA 0.178 52.237 52.037 0.037 0.000 0.701 299 A CB -0.188 18.849 19.000 0.062 0.000 0.816 299 A HN 0.315 nan 8.150 nan 0.000 0.458 300 Y N 0.661 120.939 120.300 -0.037 0.000 2.316 300 Y HA 0.346 4.896 4.550 -0.000 0.000 0.331 300 Y C 0.918 176.826 175.900 0.013 0.000 1.083 300 Y CA -0.311 57.806 58.100 0.028 0.000 1.206 300 Y CB 0.957 39.497 38.460 0.134 0.000 1.195 300 Y HN 0.065 nan 8.280 nan 0.000 0.497 301 K N 3.604 123.685 120.400 -0.532 0.000 2.393 301 K HA 0.201 4.521 4.320 -0.000 0.000 0.193 301 K C 0.743 177.086 176.600 -0.429 0.000 1.026 301 K CA 0.346 56.405 56.287 -0.380 0.000 1.064 301 K CB 0.546 32.894 32.500 -0.253 0.000 0.833 301 K HN 0.791 nan 8.250 nan 0.000 0.521 302 G N 0.105 108.400 108.800 -0.842 0.000 2.828 302 G HA2 0.147 4.107 3.960 -0.000 0.000 0.244 302 G HA3 0.147 4.107 3.960 -0.000 0.000 0.244 302 G C -0.708 174.266 174.900 0.123 0.000 1.365 302 G CA -0.565 44.349 45.100 -0.309 0.000 1.041 302 G HN -0.084 nan 8.290 nan 0.000 0.560 303 T N 0.882 115.602 114.554 0.277 0.000 2.829 303 T HA 0.203 4.553 4.350 -0.000 0.000 0.293 303 T C -0.892 174.097 174.700 0.481 0.000 0.970 303 T CA 0.612 62.900 62.100 0.313 0.000 1.168 303 T CB -0.006 68.999 68.868 0.228 0.000 0.911 303 T HN 0.225 nan 8.240 nan 0.000 0.535 304 F N 4.189 124.250 119.950 0.186 0.000 2.443 304 F HA 0.635 5.162 4.527 -0.000 0.000 0.335 304 F C -0.312 175.456 175.800 -0.053 0.000 1.104 304 F CA -1.461 56.605 58.000 0.110 0.000 1.013 304 F CB 0.780 39.855 39.000 0.126 0.000 1.136 304 F HN 0.395 nan 8.300 nan 0.000 0.470 305 I N 6.410 126.741 120.570 -0.398 0.000 2.498 305 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 305 I C -0.932 174.878 176.117 -0.512 0.000 1.032 305 I CA -1.169 59.832 61.300 -0.497 0.000 1.073 305 I CB 1.891 39.370 38.000 -0.869 0.000 1.251 305 I HN 0.383 nan 8.210 nan 0.000 0.426 306 V N 2.568 122.264 119.914 -0.365 0.000 2.881 306 V HA 1.041 5.160 4.120 -0.000 0.000 0.316 306 V C -0.239 175.712 176.094 -0.238 0.000 1.070 306 V CA -0.452 61.712 62.300 -0.226 0.000 0.976 306 V CB 1.647 33.414 31.823 -0.094 0.000 1.038 306 V HN 0.904 nan 8.190 nan 0.000 0.446 307 A N 1.035 123.856 122.820 0.001 0.000 2.604 307 A HA 0.975 5.295 4.320 -0.000 0.000 0.295 307 A C -0.020 177.683 177.584 0.200 0.000 1.067 307 A CA -0.301 51.771 52.037 0.059 0.000 0.683 307 A CB 1.399 20.487 19.000 0.147 0.000 1.281 307 A HN 2.783 nan 8.150 nan 0.000 0.407 308 G N -0.307 108.617 108.800 0.207 0.000 2.491 308 G HA2 0.547 4.507 3.960 -0.000 0.000 0.508 308 G HA3 0.547 4.507 3.960 -0.000 0.000 0.508 308 G C 1.118 176.055 174.900 0.062 0.000 1.143 308 G CA 0.883 46.061 45.100 0.130 0.000 1.277 308 G HN 2.826 nan 8.290 nan 0.000 0.599 309 G N -0.264 108.572 108.800 0.061 0.000 2.159 309 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.256 309 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.256 309 G C 0.575 175.465 174.900 -0.016 0.000 0.977 309 G CA 0.839 45.943 45.100 0.007 0.000 0.652 309 G HN 1.505 nan 8.290 nan 0.000 0.531 310 Y N 1.914 122.222 120.300 0.013 0.000 2.379 310 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 310 Y C 1.050 177.148 175.900 0.330 0.000 1.238 310 Y CA 0.396 58.534 58.100 0.064 0.000 1.405 310 Y CB 0.760 39.114 38.460 -0.177 0.000 1.310 310 Y HN 0.442 nan 8.280 nan 0.000 0.569 311 D N -0.139 120.521 120.400 0.434 0.000 2.758 311 D HA 0.264 4.904 4.640 -0.000 0.000 0.279 311 D C 0.786 177.090 176.300 0.007 0.000 1.111 311 D CA -0.896 53.281 54.000 0.295 0.000 1.109 311 D CB 0.542 41.420 40.800 0.131 0.000 1.428 311 D HN 0.385 nan 8.370 nan 0.000 0.586 312 R N -0.033 120.203 120.500 -0.441 0.000 2.094 312 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 312 R C 1.921 178.024 176.300 -0.328 0.000 1.137 312 R CA 2.174 57.764 56.100 -0.850 0.000 0.943 312 R CB -0.219 29.626 30.300 -0.758 0.000 0.850 312 R HN 0.660 nan 8.270 nan 0.000 0.433 313 E N -0.013 120.088 120.200 -0.164 0.000 2.023 313 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 313 E C 1.468 178.065 176.600 -0.006 0.000 1.003 313 E CA 1.903 58.258 56.400 -0.074 0.000 0.809 313 E CB -0.081 29.590 29.700 -0.049 0.000 0.755 313 E HN 0.384 nan 8.360 nan 0.000 0.449 314 D N -0.451 119.973 120.400 0.041 0.000 2.182 314 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 314 D C 1.754 178.231 176.300 0.297 0.000 0.986 314 D CA 1.190 55.255 54.000 0.108 0.000 0.847 314 D CB -0.563 40.233 40.800 -0.006 0.000 0.942 314 D HN 0.389 nan 8.370 nan 0.000 0.467 315 G N 0.907 109.879 108.800 0.288 0.000 2.404 315 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 315 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 315 G C 1.662 176.612 174.900 0.084 0.000 1.174 315 G CA 0.318 45.548 45.100 0.217 0.000 0.780 315 G HN 0.171 nan 8.290 nan 0.000 0.537 316 N N 0.290 119.005 118.700 0.025 0.000 2.188 316 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 316 N C 2.143 177.669 175.510 0.027 0.000 1.018 316 N CA 0.664 53.717 53.050 0.004 0.000 0.858 316 N CB -0.298 38.168 38.487 -0.034 0.000 0.989 316 N HN 0.343 nan 8.380 nan 0.000 0.426 317 R N 0.831 121.358 120.500 0.044 0.000 2.092 317 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 317 R C 1.963 178.304 176.300 0.068 0.000 1.119 317 R CA 1.185 57.313 56.100 0.046 0.000 0.970 317 R CB -0.083 30.241 30.300 0.041 0.000 0.864 317 R HN 0.149 nan 8.270 nan 0.000 0.440 318 A N 0.869 123.759 122.820 0.115 0.000 1.902 318 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 318 A C 2.115 179.737 177.584 0.063 0.000 1.181 318 A CA 1.117 53.228 52.037 0.123 0.000 0.623 318 A CB -0.441 18.666 19.000 0.179 0.000 0.818 318 A HN 0.325 nan 8.150 nan 0.000 0.443 319 L N -0.379 120.868 121.223 0.041 0.000 2.093 319 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 319 L C 2.281 179.166 176.870 0.025 0.000 1.085 319 L CA 0.538 55.394 54.840 0.027 0.000 0.755 319 L CB -0.368 41.703 42.059 0.020 0.000 0.904 319 L HN 0.289 nan 8.230 nan 0.000 0.435 320 I N 0.027 120.612 120.570 0.024 0.000 2.315 320 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 320 I C 2.054 178.181 176.117 0.018 0.000 1.117 320 I CA 1.500 62.811 61.300 0.017 0.000 1.404 320 I CB -0.810 37.198 38.000 0.014 0.000 1.071 320 I HN 0.364 nan 8.210 nan 0.000 0.419 321 E N 0.142 120.357 120.200 0.025 0.000 2.502 321 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 321 E C 0.067 176.677 176.600 0.018 0.000 1.062 321 E CA 0.068 56.481 56.400 0.021 0.000 0.867 321 E CB -0.024 29.693 29.700 0.028 0.000 0.888 321 E HN 0.280 nan 8.360 nan 0.000 0.510 322 D N 0.484 120.896 120.400 0.019 0.000 2.837 322 D HA -0.218 4.422 4.640 -0.000 0.000 0.230 322 D C 0.521 176.826 176.300 0.009 0.000 1.152 322 D CA 0.633 54.640 54.000 0.013 0.000 0.736 322 D CB -0.751 40.050 40.800 0.001 0.000 1.084 322 D HN 0.159 nan 8.370 nan 0.000 0.429 323 R N -0.656 119.864 120.500 0.033 0.000 2.275 323 R HA 0.496 4.836 4.340 -0.000 0.000 0.199 323 R C 0.825 177.182 176.300 0.095 0.000 0.989 323 R CA 1.085 57.211 56.100 0.043 0.000 1.016 323 R CB 0.556 30.909 30.300 0.089 0.000 0.918 323 R HN 0.264 nan 8.270 nan 0.000 0.473 324 A N -0.787 122.096 122.820 0.104 0.000 2.564 324 A HA 0.305 4.625 4.320 -0.000 0.000 0.291 324 A C -1.086 176.556 177.584 0.096 0.000 1.102 324 A CA -0.839 51.308 52.037 0.184 0.000 0.660 324 A CB 0.924 20.017 19.000 0.155 0.000 1.283 324 A HN 0.004 nan 8.150 nan 0.000 0.430 325 D N -0.695 119.761 120.400 0.093 0.000 2.455 325 D HA 0.286 4.926 4.640 -0.000 0.000 0.228 325 D C -0.123 176.168 176.300 -0.015 0.000 1.070 325 D CA 0.834 54.860 54.000 0.043 0.000 0.881 325 D CB 0.702 41.544 40.800 0.069 0.000 1.087 325 D HN 0.362 nan 8.370 nan 0.000 0.498 326 L N 0.906 122.085 121.223 -0.074 0.000 2.409 326 L HA 0.479 4.819 4.340 -0.000 0.000 0.262 326 L C -1.021 175.707 176.870 -0.238 0.000 0.992 326 L CA -0.953 53.798 54.840 -0.148 0.000 0.817 326 L CB 3.267 45.183 42.059 -0.238 0.000 1.350 326 L HN -0.358 nan 8.230 nan 0.000 0.411 327 V N 1.254 121.034 119.914 -0.223 0.000 2.487 327 V HA 0.698 4.818 4.120 -0.000 0.000 0.298 327 V C -0.020 175.865 176.094 -0.348 0.000 1.028 327 V CA -0.615 61.439 62.300 -0.410 0.000 0.860 327 V CB 1.621 33.175 31.823 -0.447 0.000 0.991 327 V HN 0.821 nan 8.190 nan 0.000 0.427 328 A N 4.422 126.972 122.820 -0.450 0.000 2.301 328 A HA 0.847 5.167 4.320 -0.000 0.000 0.312 328 A C -1.318 176.085 177.584 -0.302 0.000 1.182 328 A CA -0.329 51.570 52.037 -0.231 0.000 0.826 328 A CB 0.498 19.395 19.000 -0.172 0.000 1.134 328 A HN 0.740 nan 8.150 nan 0.000 0.501 329 Y N 1.143 121.531 120.300 0.147 0.000 2.364 329 Y HA 0.515 5.065 4.550 0.000 0.000 0.340 329 Y C 1.207 177.212 175.900 0.176 0.000 0.975 329 Y CA 0.335 58.539 58.100 0.174 0.000 1.089 329 Y CB 2.481 41.036 38.460 0.157 0.000 1.192 329 Y HN 0.773 nan 8.280 nan 0.000 0.454 330 G N 2.120 111.025 108.800 0.175 0.000 2.651 330 G HA2 0.011 3.971 3.960 -0.000 0.000 0.226 330 G HA3 0.011 3.971 3.960 -0.000 0.000 0.226 330 G C 1.290 176.136 174.900 -0.090 0.000 1.542 330 G CA -0.162 44.948 45.100 0.018 0.000 0.868 330 G HN 0.588 nan 8.290 nan 0.000 0.588 331 R N 0.036 120.385 120.500 -0.252 0.000 2.103 331 R HA 0.025 4.365 4.340 -0.000 0.000 0.242 331 R C 2.616 178.765 176.300 -0.252 0.000 1.142 331 R CA 1.110 56.873 56.100 -0.560 0.000 0.960 331 R CB -0.532 29.183 30.300 -0.973 0.000 0.858 331 R HN 0.276 nan 8.270 nan 0.000 0.439 332 L N -0.854 120.390 121.223 0.035 0.000 2.201 332 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 332 L C 1.930 178.738 176.870 -0.102 0.000 1.105 332 L CA 0.647 55.532 54.840 0.075 0.000 0.775 332 L CB -0.224 41.864 42.059 0.047 0.000 0.913 332 L HN 0.116 nan 8.230 nan 0.000 0.440 333 F N 0.085 119.936 119.950 -0.164 0.000 2.456 333 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 333 F C 2.128 177.757 175.800 -0.285 0.000 1.104 333 F CA 0.692 58.557 58.000 -0.226 0.000 1.435 333 F CB -0.137 38.776 39.000 -0.144 0.000 1.078 333 F HN -0.059 nan 8.300 nan 0.000 0.546 334 I N -0.808 119.697 120.570 -0.108 0.000 2.233 334 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 334 I C 2.289 178.043 176.117 -0.605 0.000 1.093 334 I CA 1.641 62.792 61.300 -0.248 0.000 1.380 334 I CB -0.515 37.296 38.000 -0.316 0.000 1.067 334 I HN 0.066 nan 8.210 nan 0.000 0.413 335 S N -0.547 114.738 115.700 -0.693 0.000 2.558 335 S HA 0.112 4.582 4.470 -0.000 0.000 0.217 335 S C 0.627 174.910 174.600 -0.528 0.000 0.975 335 S CA -0.057 57.431 58.200 -1.186 0.000 0.912 335 S CB -0.203 62.674 63.200 -0.539 0.000 0.776 335 S HN 0.335 nan 8.310 nan 0.000 0.526 336 N N 2.141 120.616 118.700 -0.374 0.000 2.716 336 N HA 0.280 5.020 4.740 -0.000 0.000 0.253 336 N C -2.663 172.641 175.510 -0.344 0.000 1.170 336 N CA -1.268 51.572 53.050 -0.350 0.000 0.807 336 N CB 1.942 40.187 38.487 -0.404 0.000 1.183 336 N HN 0.067 nan 8.380 nan 0.000 0.524 337 P HA -0.143 nan 4.420 nan 0.000 0.216 337 P C 0.212 177.374 177.300 -0.230 0.000 1.150 337 P CA 1.506 64.369 63.100 -0.396 0.000 0.843 337 P CB 0.161 31.279 31.700 -0.971 0.000 0.787 338 D N -1.222 118.991 120.400 -0.311 0.000 3.071 338 D HA 0.035 4.675 4.640 -0.000 0.000 0.259 338 D C 1.362 177.451 176.300 -0.351 0.000 1.331 338 D CA -0.372 53.539 54.000 -0.148 0.000 0.861 338 D CB -1.019 39.822 40.800 0.068 0.000 1.059 338 D HN 0.096 nan 8.370 nan 0.000 0.486 339 L N -0.022 120.825 121.223 -0.626 0.000 2.012 339 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 339 L C -0.671 175.621 176.870 -0.964 0.000 1.073 339 L CA 1.804 56.018 54.840 -1.043 0.000 0.748 339 L CB -0.915 40.151 42.059 -1.656 0.000 0.891 339 L HN 0.099 nan 8.230 nan 0.000 0.431 340 P HA -0.206 nan 4.420 nan 0.000 0.214 340 P C 1.337 178.444 177.300 -0.321 0.000 1.163 340 P CA 1.333 64.130 63.100 -0.505 0.000 0.883 340 P CB 0.028 31.407 31.700 -0.536 0.000 0.788 341 K N 0.076 120.331 120.400 -0.241 0.000 2.063 341 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 341 K C 2.136 178.666 176.600 -0.116 0.000 1.048 341 K CA 1.558 57.767 56.287 -0.131 0.000 0.928 341 K CB -0.525 31.935 32.500 -0.067 0.000 0.713 341 K HN -0.080 nan 8.250 nan 0.000 0.442 342 R N -1.054 119.331 120.500 -0.191 0.000 2.075 342 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 342 R C 2.174 178.464 176.300 -0.016 0.000 1.126 342 R CA 1.371 57.386 56.100 -0.141 0.000 0.963 342 R CB -0.359 29.797 30.300 -0.240 0.000 0.858 342 R HN 0.149 nan 8.270 nan 0.000 0.435 343 F N 1.282 121.105 119.950 -0.212 0.000 2.134 343 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 343 F C 2.397 178.114 175.800 -0.139 0.000 1.097 343 F CA 1.052 58.933 58.000 -0.197 0.000 1.264 343 F CB -0.874 37.966 39.000 -0.268 0.000 1.001 343 F HN 0.138 nan 8.300 nan 0.000 0.479 344 E N 0.262 120.498 120.200 0.060 0.000 2.160 344 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 344 E C 1.899 178.502 176.600 0.005 0.000 0.991 344 E CA 1.034 57.439 56.400 0.008 0.000 0.810 344 E CB -0.173 29.512 29.700 -0.025 0.000 0.742 344 E HN 0.397 nan 8.360 nan 0.000 0.466 345 L N 0.146 121.373 121.223 0.006 0.000 2.585 345 L HA 0.099 4.438 4.340 -0.000 0.000 0.226 345 L C 0.604 177.479 176.870 0.008 0.000 1.113 345 L CA -0.056 54.785 54.840 0.002 0.000 0.876 345 L CB 0.004 42.060 42.059 -0.005 0.000 1.072 345 L HN 0.167 nan 8.230 nan 0.000 0.468 346 N N 0.789 119.503 118.700 0.024 0.000 2.740 346 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 346 N C -0.180 175.342 175.510 0.020 0.000 1.062 346 N CA 0.689 53.752 53.050 0.022 0.000 0.704 346 N CB -0.635 37.850 38.487 -0.003 0.000 0.968 346 N HN 0.404 nan 8.380 nan 0.000 0.547 347 A N 0.070 122.904 122.820 0.023 0.000 2.286 347 A HA 0.720 5.040 4.320 -0.000 0.000 0.286 347 A C -1.799 175.789 177.584 0.007 0.000 1.097 347 A CA -0.954 51.086 52.037 0.005 0.000 0.821 347 A CB 0.280 19.273 19.000 -0.011 0.000 1.076 347 A HN 0.298 nan 8.150 nan 0.000 0.490 348 P HA 0.336 nan 4.420 nan 0.000 0.270 348 P C -1.061 176.225 177.300 -0.023 0.000 1.227 348 P CA 0.121 63.217 63.100 -0.007 0.000 0.788 348 P CB 0.315 32.010 31.700 -0.009 0.000 0.926 349 L N 1.874 123.081 121.223 -0.026 0.000 2.365 349 L HA 0.374 4.714 4.340 -0.000 0.000 0.273 349 L C 0.219 177.057 176.870 -0.055 0.000 1.000 349 L CA -1.035 53.771 54.840 -0.057 0.000 0.819 349 L CB 1.420 43.454 42.059 -0.041 0.000 1.284 349 L HN 0.276 nan 8.230 nan 0.000 0.418 350 N N 2.206 120.869 118.700 -0.062 0.000 2.454 350 N HA 0.117 4.857 4.740 -0.000 0.000 0.260 350 N C 0.102 175.586 175.510 -0.042 0.000 1.218 350 N CA 0.057 53.097 53.050 -0.017 0.000 0.904 350 N CB 0.851 39.356 38.487 0.030 0.000 1.065 350 N HN 0.602 nan 8.380 nan 0.000 0.462 351 K N 1.777 122.154 120.400 -0.038 0.000 2.270 351 K HA 0.232 4.552 4.320 -0.000 0.000 0.276 351 K C -0.242 176.332 176.600 -0.043 0.000 1.023 351 K CA -0.323 55.869 56.287 -0.158 0.000 0.955 351 K CB -0.231 32.183 32.500 -0.142 0.000 0.975 351 K HN 0.594 nan 8.250 nan 0.000 0.471 352 Y N -0.580 119.780 120.300 0.101 0.000 2.320 352 Y HA 0.568 5.118 4.550 -0.000 0.000 0.324 352 Y C 0.107 176.119 175.900 0.187 0.000 1.190 352 Y CA -2.363 55.844 58.100 0.179 0.000 1.215 352 Y CB 1.070 39.640 38.460 0.183 0.000 1.221 352 Y HN 0.605 nan 8.280 nan 0.000 0.486 353 N N 2.187 121.157 118.700 0.450 0.000 2.501 353 N HA 0.208 4.948 4.740 -0.000 0.000 0.245 353 N C 0.715 176.022 175.510 -0.338 0.000 0.974 353 N CA -0.915 52.199 53.050 0.107 0.000 0.941 353 N CB 0.808 39.356 38.487 0.102 0.000 1.122 353 N HN 0.806 nan 8.380 nan 0.000 0.507 354 R N 2.218 122.253 120.500 -0.775 0.000 2.152 354 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 354 R C 0.036 175.880 176.300 -0.759 0.000 1.117 354 R CA 1.016 56.051 56.100 -1.775 0.000 0.981 354 R CB -0.165 29.616 30.300 -0.867 0.000 0.870 354 R HN 0.447 nan 8.270 nan 0.000 0.451 355 D N 1.466 121.670 120.400 -0.326 0.000 2.221 355 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 355 D C 0.971 177.242 176.300 -0.050 0.000 0.982 355 D CA 2.014 55.946 54.000 -0.115 0.000 0.857 355 D CB 0.099 40.865 40.800 -0.057 0.000 0.934 355 D HN 0.554 nan 8.370 nan 0.000 0.475 356 T N -2.660 111.858 114.554 -0.059 0.000 3.296 356 T HA 0.144 4.494 4.350 -0.000 0.000 0.285 356 T C 1.150 175.950 174.700 0.165 0.000 1.014 356 T CA -0.535 61.603 62.100 0.063 0.000 0.920 356 T CB -0.352 68.561 68.868 0.076 0.000 1.143 356 T HN -0.212 nan 8.240 nan 0.000 0.522 357 F N 1.314 121.210 119.950 -0.092 0.000 2.146 357 F HA 0.206 4.733 4.527 -0.000 0.000 0.298 357 F C 1.224 176.736 175.800 -0.482 0.000 1.096 357 F CA 0.037 57.819 58.000 -0.363 0.000 1.275 357 F CB -0.535 38.037 39.000 -0.713 0.000 1.008 357 F HN 0.349 nan 8.300 nan 0.000 0.480 358 Y N -0.612 119.846 120.300 0.263 0.000 2.481 358 Y HA 0.172 4.722 4.550 0.000 0.000 0.247 358 Y C 1.320 177.286 175.900 0.110 0.000 1.151 358 Y CA -0.658 57.539 58.100 0.161 0.000 1.238 358 Y CB -1.133 37.432 38.460 0.175 0.000 1.179 358 Y HN -0.177 nan 8.280 nan 0.000 0.524 359 T N -1.524 113.143 114.554 0.189 0.000 2.748 359 T HA 0.080 4.430 4.350 -0.000 0.000 0.304 359 T C 1.250 175.994 174.700 0.073 0.000 1.041 359 T CA 0.123 62.297 62.100 0.122 0.000 1.033 359 T CB 1.231 70.148 68.868 0.082 0.000 0.995 359 T HN 0.277 nan 8.240 nan 0.000 0.536 360 S N -1.770 113.968 115.700 0.063 0.000 2.572 360 S HA 0.177 4.647 4.470 -0.000 0.000 0.228 360 S C -0.040 174.582 174.600 0.037 0.000 0.963 360 S CA -0.607 57.636 58.200 0.071 0.000 0.939 360 S CB -0.504 62.772 63.200 0.126 0.000 0.804 360 S HN 0.816 nan 8.310 nan 0.000 0.480 361 D N 2.594 122.982 120.400 -0.019 0.000 2.382 361 D HA 0.273 4.913 4.640 -0.000 0.000 0.245 361 D C -1.681 174.524 176.300 -0.159 0.000 1.120 361 D CA -1.866 52.110 54.000 -0.039 0.000 0.890 361 D CB 1.204 41.993 40.800 -0.018 0.000 1.201 361 D HN -0.013 nan 8.370 nan 0.000 0.433 362 P HA -0.008 nan 4.420 nan 0.000 0.223 362 P C 0.343 177.582 177.300 -0.101 0.000 1.151 362 P CA 1.021 63.852 63.100 -0.448 0.000 0.787 362 P CB 0.344 31.945 31.700 -0.165 0.000 0.788 363 I N -2.890 117.683 120.570 0.006 0.000 3.674 363 I HA 0.022 4.192 4.170 -0.000 0.000 0.248 363 I C 0.087 176.248 176.117 0.073 0.000 1.134 363 I CA -0.041 61.310 61.300 0.085 0.000 1.519 363 I CB -0.263 37.769 38.000 0.053 0.000 1.598 363 I HN -0.493 nan 8.210 nan 0.000 0.442 364 V N 3.433 123.358 119.914 0.018 0.000 2.621 364 V HA -0.001 4.119 4.120 -0.000 0.000 0.300 364 V C 1.298 177.397 176.094 0.009 0.000 1.031 364 V CA 1.566 63.857 62.300 -0.015 0.000 1.210 364 V CB -0.790 31.021 31.823 -0.019 0.000 0.864 364 V HN 0.838 nan 8.190 nan 0.000 0.477 365 G N 3.745 112.508 108.800 -0.062 0.000 2.184 365 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 365 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 365 G C 0.356 175.434 174.900 0.297 0.000 0.975 365 G CA 0.816 45.938 45.100 0.037 0.000 0.642 365 G HN 0.899 nan 8.290 nan 0.000 0.536 366 Y N 0.287 120.621 120.300 0.057 0.000 2.736 366 Y HA 0.268 4.818 4.550 0.000 0.000 0.272 366 Y C 2.505 178.521 175.900 0.193 0.000 1.118 366 Y CA 2.132 60.271 58.100 0.065 0.000 1.248 366 Y CB 0.435 38.848 38.460 -0.079 0.000 1.437 366 Y HN 0.491 nan 8.280 nan 0.000 0.481 367 T N -3.084 111.541 114.554 0.118 0.000 3.058 367 T HA 0.121 4.471 4.350 -0.000 0.000 0.278 367 T C 0.413 175.149 174.700 0.061 0.000 0.974 367 T CA 0.318 62.455 62.100 0.061 0.000 0.893 367 T CB -0.171 68.744 68.868 0.079 0.000 1.138 367 T HN 0.317 nan 8.240 nan 0.000 0.529 368 D N 0.460 120.861 120.400 0.002 0.000 2.352 368 D HA 0.038 4.678 4.640 -0.000 0.000 0.236 368 D C -0.581 175.635 176.300 -0.139 0.000 1.148 368 D CA -0.496 53.465 54.000 -0.065 0.000 0.844 368 D CB -0.657 40.080 40.800 -0.104 0.000 0.933 368 D HN 0.389 nan 8.370 nan 0.000 0.507 369 Y N 2.094 122.374 120.300 -0.033 0.000 2.350 369 Y HA 0.295 4.845 4.550 -0.000 0.000 0.340 369 Y C -1.751 174.063 175.900 -0.145 0.000 1.006 369 Y CA -2.385 55.670 58.100 -0.075 0.000 1.166 369 Y CB 1.047 39.452 38.460 -0.093 0.000 1.168 369 Y HN -0.047 nan 8.280 nan 0.000 0.502 370 P HA 0.105 nan 4.420 nan 0.000 0.274 370 P C -0.823 176.447 177.300 -0.050 0.000 1.237 370 P CA 0.029 63.163 63.100 0.056 0.000 0.793 370 P CB 1.018 32.767 31.700 0.081 0.000 0.977 371 F N -0.414 119.541 119.950 0.009 0.000 2.375 371 F HA 0.323 4.850 4.527 0.000 0.000 0.317 371 F C 1.217 177.005 175.800 -0.020 0.000 1.124 371 F CA -0.959 57.032 58.000 -0.016 0.000 1.050 371 F CB -0.051 38.936 39.000 -0.022 0.000 1.314 371 F HN 0.072 nan 8.300 nan 0.000 0.511 372 L N 1.402 122.733 121.223 0.180 0.000 2.525 372 L HA 0.178 4.518 4.340 -0.000 0.000 0.278 372 L C 0.862 177.780 176.870 0.079 0.000 1.218 372 L CA -0.012 54.877 54.840 0.083 0.000 0.878 372 L CB -0.071 42.016 42.059 0.048 0.000 1.127 372 L HN 0.833 nan 8.230 nan 0.000 0.492 373 E N 0.000 120.230 120.200 0.050 0.000 2.725 373 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 373 E CA 0.000 56.422 56.400 0.037 0.000 0.976 373 E CB 0.000 29.715 29.700 0.026 0.000 0.812 373 E HN 0.000 nan 8.360 nan 0.000 0.440