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 1jf6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLLEAIFHEA KGSYAYPISE TQLRVRLRAK KGDVVRCEVL YADRYASPEE DATA SEQUENCE ELAHALAGKA GSDERFDYFE ALLECSTKRV KYVFLLTGPQ GEAVYFGETG DATA SEQUENCE FSAERSKAGV FQYAYIHRSE VFTTPEWAKE AVIYQIFPER FANGDPSNDP DATA SEQUENCE PGTEQWAKDA RPRHDSFYGG DLKGVIDRLP YLEELGVTAL YFTPIFASPS DATA SEQUENCE HHKYDTADYL AIDPQFGDLP TFRRLVDEAH RRGIKIILDA VFNHAGDQFF DATA SEQUENCE AFRDVLQKGE QSRYKDWFFI EDFPVSKTSR TNYETYAVQV PAMPKLRTEN DATA SEQUENCE PEVKEYLFDV ARFWMEQGID GWRLDVANEV DHAFWREFRR LVKSLNPDAL DATA SEQUENCE IVGEIWHDAS GWLMGDQFDS VMNYLFRESV IRFFATGEIH AERFDAELTR DATA SEQUENCE ARMLYPEQAA QGLWNLLDSH DTERFLTSCG GNEAKFRLAV LFQMTYLGTP DATA SEQUENCE LIYYGDEIGM AGATDPDCRR PMIWEEKEQN RGLFEFYKEL IRLRHRLASL DATA SEQUENCE TRGNVRSWHA DKQANLYAFV RTVQDQHVGV VLNNRGEKQT VLLQVPESGG DATA SEQUENCE KTWLDCLTGE EVHGKQGQLK LTLRPYQGMI LWNGR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.234 176.300 -0.109 0.000 1.140 1 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 1 M CB 0.000 32.556 32.600 -0.074 0.000 1.302 2 L N 4.045 125.212 121.223 -0.094 0.000 2.454 2 L HA 0.334 4.673 4.340 -0.003 0.000 0.284 2 L C 0.251 177.024 176.870 -0.161 0.000 1.139 2 L CA 0.209 54.986 54.840 -0.106 0.000 0.911 2 L CB 0.225 42.246 42.059 -0.064 0.000 1.262 2 L HN 0.960 nan 8.230 nan 0.000 0.453 3 L N 2.554 123.604 121.223 -0.289 0.000 2.191 3 L HA -0.116 4.223 4.340 -0.003 0.000 0.212 3 L C 1.467 178.106 176.870 -0.385 0.000 1.103 3 L CA 0.820 55.314 54.840 -0.576 0.000 0.769 3 L CB -0.276 41.236 42.059 -0.911 0.000 0.908 3 L HN 0.600 nan 8.230 nan 0.000 0.438 4 E N 0.129 120.221 120.200 -0.179 0.000 2.516 4 E HA -0.031 4.318 4.350 -0.003 0.000 0.199 4 E C 1.563 178.177 176.600 0.023 0.000 1.069 4 E CA 0.644 57.019 56.400 -0.041 0.000 0.876 4 E CB 0.074 29.764 29.700 -0.017 0.000 0.843 4 E HN 0.402 nan 8.360 nan 0.000 0.530 5 A N -0.013 122.815 122.820 0.013 0.000 2.431 5 A HA 0.260 4.578 4.320 -0.003 0.000 0.239 5 A C 0.506 178.182 177.584 0.154 0.000 1.230 5 A CA -0.334 51.785 52.037 0.135 0.000 0.928 5 A CB 0.220 19.318 19.000 0.164 0.000 1.006 5 A HN 0.096 nan 8.150 nan 0.000 0.520 6 I N 0.241 120.846 120.570 0.057 0.000 2.428 6 I HA 0.422 4.590 4.170 -0.003 0.000 0.289 6 I C -0.461 175.746 176.117 0.151 0.000 1.019 6 I CA -0.348 60.980 61.300 0.046 0.000 1.351 6 I CB 1.084 39.016 38.000 -0.112 0.000 1.412 6 I HN 0.302 nan 8.210 nan 0.000 0.513 7 F N 6.333 126.299 119.950 0.027 0.000 2.588 7 F HA 0.666 5.192 4.527 -0.002 0.000 0.310 7 F C -0.858 175.043 175.800 0.169 0.000 1.082 7 F CA -0.434 57.612 58.000 0.077 0.000 0.929 7 F CB 1.541 40.462 39.000 -0.132 0.000 1.254 7 F HN 0.548 nan 8.300 nan 0.000 0.455 8 H N 1.971 120.240 119.070 -1.335 0.000 3.024 8 H HA 0.542 5.096 4.556 -0.003 0.000 0.324 8 H C -2.085 172.603 175.328 -1.066 0.000 1.347 8 H CA -0.398 54.920 56.048 -1.216 0.000 1.182 8 H CB 1.845 31.142 29.762 -0.775 0.000 1.889 8 H HN 0.702 nan 8.280 nan 0.000 0.528 9 E N 1.776 120.972 120.200 -1.673 0.000 2.381 9 E HA 0.551 4.900 4.350 -0.003 0.000 0.286 9 E C -1.376 174.849 176.600 -0.626 0.000 0.960 9 E CA -0.910 55.023 56.400 -0.778 0.000 0.793 9 E CB 1.602 31.128 29.700 -0.290 0.000 1.225 9 E HN 0.647 nan 8.360 nan 0.000 0.420 10 A N 3.673 126.432 122.820 -0.102 0.000 2.810 10 A HA 0.174 4.493 4.320 -0.003 0.000 0.247 10 A C 0.094 177.822 177.584 0.241 0.000 1.576 10 A CA 0.539 52.718 52.037 0.236 0.000 1.294 10 A CB -0.808 18.402 19.000 0.350 0.000 0.976 10 A HN 0.583 nan 8.150 nan 0.000 0.631 11 K N -2.607 117.900 120.400 0.178 0.000 2.597 11 K HA 0.615 4.934 4.320 -0.003 0.000 0.278 11 K C 0.683 177.428 176.600 0.242 0.000 0.984 11 K CA -0.395 56.026 56.287 0.225 0.000 0.775 11 K CB -0.352 32.219 32.500 0.117 0.000 1.465 11 K HN 1.218 nan 8.250 nan 0.000 0.351 12 G N 0.780 109.724 108.800 0.239 0.000 2.634 12 G HA2 -0.357 3.602 3.960 -0.003 0.000 0.309 12 G HA3 -0.357 3.602 3.960 -0.003 0.000 0.309 12 G C 0.503 175.633 174.900 0.383 0.000 1.265 12 G CA 0.771 46.036 45.100 0.275 0.000 0.998 12 G HN 0.779 nan 8.290 nan 0.000 0.551 13 S N -0.185 115.785 115.700 0.451 0.000 2.577 13 S HA 0.349 4.818 4.470 -0.003 0.000 0.219 13 S C 1.076 175.805 174.600 0.215 0.000 0.962 13 S CA 0.931 59.390 58.200 0.431 0.000 0.921 13 S CB 0.166 63.563 63.200 0.329 0.000 0.789 13 S HN 0.500 nan 8.310 nan 0.000 0.497 14 Y N 1.408 121.789 120.300 0.135 0.000 2.430 14 Y HA 0.599 5.147 4.550 -0.003 0.000 0.248 14 Y C 0.788 176.651 175.900 -0.062 0.000 1.108 14 Y CA -0.784 57.315 58.100 -0.002 0.000 1.264 14 Y CB 0.550 38.916 38.460 -0.157 0.000 1.172 14 Y HN 0.238 nan 8.280 nan 0.000 0.520 15 A N 0.415 123.270 122.820 0.057 0.000 2.497 15 A HA 0.667 4.986 4.320 -0.003 0.000 0.280 15 A C -1.874 175.745 177.584 0.059 0.000 1.065 15 A CA -0.554 51.472 52.037 -0.019 0.000 0.781 15 A CB 0.071 19.196 19.000 0.208 0.000 1.289 15 A HN 0.218 nan 8.150 nan 0.000 0.415 16 Y N 0.770 120.996 120.300 -0.123 0.000 2.521 16 Y HA 0.809 5.357 4.550 -0.003 0.000 0.332 16 Y C -3.380 172.394 175.900 -0.211 0.000 1.121 16 Y CA -2.964 55.074 58.100 -0.103 0.000 1.037 16 Y CB 1.080 39.563 38.460 0.039 0.000 1.330 16 Y HN 0.375 nan 8.280 nan 0.000 0.452 17 P HA 0.270 nan 4.420 nan 0.000 0.277 17 P C 0.161 177.542 177.300 0.135 0.000 1.240 17 P CA -0.229 62.864 63.100 -0.012 0.000 0.798 17 P CB 2.192 33.873 31.700 -0.032 0.000 0.979 18 I N -1.037 119.562 120.570 0.048 0.000 4.139 18 I HA 0.281 4.449 4.170 -0.003 0.000 0.335 18 I C 0.436 176.563 176.117 0.017 0.000 1.327 18 I CA -0.148 61.186 61.300 0.057 0.000 1.112 18 I CB 0.050 38.069 38.000 0.032 0.000 1.058 18 I HN 0.378 nan 8.210 nan 0.000 0.396 19 S N -1.031 114.668 115.700 -0.002 0.000 2.661 19 S HA 0.363 4.831 4.470 -0.003 0.000 0.268 19 S C 0.388 174.978 174.600 -0.017 0.000 1.162 19 S CA -0.365 57.831 58.200 -0.006 0.000 0.817 19 S CB 0.911 64.099 63.200 -0.021 0.000 1.141 19 S HN 0.174 nan 8.310 nan 0.000 0.477 20 E N 0.097 120.288 120.200 -0.014 0.000 2.204 20 E HA -0.060 4.288 4.350 -0.003 0.000 0.194 20 E C 1.096 177.654 176.600 -0.070 0.000 0.989 20 E CA 1.647 58.031 56.400 -0.026 0.000 0.824 20 E CB -0.035 29.660 29.700 -0.008 0.000 0.756 20 E HN 0.767 nan 8.360 nan 0.000 0.477 21 T N -2.785 111.729 114.554 -0.068 0.000 3.145 21 T HA 0.246 4.595 4.350 -0.003 0.000 0.281 21 T C 0.090 174.727 174.700 -0.105 0.000 1.003 21 T CA -0.528 61.520 62.100 -0.087 0.000 0.901 21 T CB 0.431 69.264 68.868 -0.059 0.000 1.112 21 T HN -0.099 nan 8.240 nan 0.000 0.535 22 Q N 1.136 120.868 119.800 -0.113 0.000 2.310 22 Q HA 0.648 4.986 4.340 -0.003 0.000 0.270 22 Q C -1.863 174.018 176.000 -0.197 0.000 1.025 22 Q CA -0.864 54.852 55.803 -0.145 0.000 0.772 22 Q CB 2.632 31.308 28.738 -0.102 0.000 1.253 22 Q HN 0.251 nan 8.270 nan 0.000 0.450 23 L N 2.557 123.601 121.223 -0.298 0.000 2.313 23 L HA 0.547 4.885 4.340 -0.003 0.000 0.283 23 L C -0.903 175.708 176.870 -0.432 0.000 1.013 23 L CA -0.403 54.194 54.840 -0.404 0.000 0.816 23 L CB 1.265 43.008 42.059 -0.528 0.000 1.236 23 L HN 0.443 nan 8.230 nan 0.000 0.419 24 R N 3.566 123.784 120.500 -0.470 0.000 2.404 24 R HA 0.760 5.098 4.340 -0.003 0.000 0.291 24 R C -1.388 174.561 176.300 -0.585 0.000 1.025 24 R CA -0.335 55.443 56.100 -0.537 0.000 0.991 24 R CB 1.271 31.155 30.300 -0.693 0.000 1.053 24 R HN 0.524 nan 8.270 nan 0.000 0.479 25 V N 0.981 120.641 119.914 -0.424 0.000 2.760 25 V HA 0.723 4.841 4.120 -0.003 0.000 0.309 25 V C -0.796 175.242 176.094 -0.093 0.000 1.077 25 V CA -0.955 61.188 62.300 -0.261 0.000 0.910 25 V CB 2.144 33.750 31.823 -0.361 0.000 1.008 25 V HN 0.788 nan 8.190 nan 0.000 0.424 26 R N 3.075 123.595 120.500 0.034 0.000 2.803 26 R HA 0.868 5.207 4.340 -0.003 0.000 0.276 26 R C -1.415 175.078 176.300 0.320 0.000 0.978 26 R CA -0.750 55.389 56.100 0.066 0.000 0.939 26 R CB 2.575 32.718 30.300 -0.261 0.000 1.179 26 R HN 0.887 nan 8.270 nan 0.000 0.472 27 L N 0.918 122.331 121.223 0.316 0.000 2.422 27 L HA 0.583 4.922 4.340 -0.003 0.000 0.264 27 L C -1.123 175.940 176.870 0.321 0.000 0.984 27 L CA -0.706 54.292 54.840 0.265 0.000 0.819 27 L CB 2.098 44.176 42.059 0.032 0.000 1.330 27 L HN 0.554 nan 8.230 nan 0.000 0.410 28 R N 3.612 124.273 120.500 0.270 0.000 2.589 28 R HA 0.926 5.264 4.340 -0.003 0.000 0.293 28 R C -1.510 174.866 176.300 0.127 0.000 0.963 28 R CA -0.170 55.983 56.100 0.088 0.000 0.905 28 R CB 1.882 32.212 30.300 0.050 0.000 1.144 28 R HN 0.848 nan 8.270 nan 0.000 0.459 29 A N 3.146 126.064 122.820 0.164 0.000 2.609 29 A HA 0.310 4.628 4.320 -0.003 0.000 0.291 29 A C -1.477 176.272 177.584 0.274 0.000 1.096 29 A CA -0.882 51.295 52.037 0.232 0.000 0.684 29 A CB 1.361 20.498 19.000 0.227 0.000 1.282 29 A HN 0.750 nan 8.150 nan 0.000 0.412 30 K N 1.288 121.775 120.400 0.145 0.000 2.448 30 K HA 0.102 4.420 4.320 -0.003 0.000 0.278 30 K C -0.296 176.273 176.600 -0.052 0.000 1.009 30 K CA 0.040 56.286 56.287 -0.069 0.000 0.995 30 K CB 0.296 32.746 32.500 -0.084 0.000 0.917 30 K HN 0.577 nan 8.250 nan 0.000 0.481 31 K N 2.172 122.491 120.400 -0.135 0.000 2.466 31 K HA -0.092 4.227 4.320 -0.003 0.000 0.278 31 K C 0.804 177.391 176.600 -0.023 0.000 1.048 31 K CA 1.252 57.499 56.287 -0.066 0.000 1.088 31 K CB 0.136 32.582 32.500 -0.090 0.000 0.884 31 K HN 0.978 nan 8.250 nan 0.000 0.478 32 G N 3.491 112.309 108.800 0.029 0.000 2.225 32 G HA2 -0.275 3.684 3.960 -0.003 0.000 0.254 32 G HA3 -0.275 3.684 3.960 -0.003 0.000 0.254 32 G C 0.645 175.572 174.900 0.046 0.000 0.988 32 G CA 0.383 45.507 45.100 0.040 0.000 0.625 32 G HN 0.699 nan 8.290 nan 0.000 0.527 33 D N -0.126 120.301 120.400 0.044 0.000 2.183 33 D HA 0.193 4.831 4.640 -0.003 0.000 0.203 33 D C 1.278 177.610 176.300 0.053 0.000 0.969 33 D CA 1.349 55.367 54.000 0.031 0.000 0.842 33 D CB 0.222 41.028 40.800 0.010 0.000 0.957 33 D HN 0.418 nan 8.370 nan 0.000 0.484 34 V N 0.851 120.840 119.914 0.125 0.000 2.495 34 V HA 0.216 4.334 4.120 -0.003 0.000 0.298 34 V C 1.135 177.319 176.094 0.151 0.000 1.031 34 V CA -0.550 61.806 62.300 0.094 0.000 0.871 34 V CB 2.168 34.038 31.823 0.077 0.000 0.988 34 V HN -0.022 nan 8.190 nan 0.000 0.432 35 V N 1.559 121.496 119.914 0.038 0.000 3.635 35 V HA 0.483 4.602 4.120 -0.003 0.000 0.266 35 V C 0.629 176.716 176.094 -0.013 0.000 1.316 35 V CA 0.306 62.652 62.300 0.076 0.000 1.060 35 V CB 0.082 31.936 31.823 0.051 0.000 0.820 35 V HN 0.752 nan 8.190 nan 0.000 0.447 36 R N -0.267 120.140 120.500 -0.156 0.000 2.533 36 R HA 0.615 4.954 4.340 -0.003 0.000 0.288 36 R C -2.128 173.966 176.300 -0.343 0.000 1.039 36 R CA -0.174 55.805 56.100 -0.201 0.000 0.909 36 R CB 1.906 32.152 30.300 -0.089 0.000 1.195 36 R HN 0.369 nan 8.270 nan 0.000 0.438 37 C N 4.203 123.240 119.300 -0.439 0.000 2.344 37 C HA 0.537 4.995 4.460 -0.003 0.000 0.326 37 C C -0.633 174.296 174.990 -0.102 0.000 1.201 37 C CA -0.249 58.555 59.018 -0.356 0.000 1.410 37 C CB 0.869 28.173 27.740 -0.727 0.000 2.070 37 C HN 0.989 nan 8.230 nan 0.000 0.445 38 E N 3.845 124.036 120.200 -0.016 0.000 2.288 38 E HA 0.755 5.103 4.350 -0.003 0.000 0.268 38 E C -1.539 175.084 176.600 0.039 0.000 0.885 38 E CA -0.516 55.900 56.400 0.027 0.000 0.767 38 E CB 2.200 31.921 29.700 0.035 0.000 1.220 38 E HN 0.553 nan 8.360 nan 0.000 0.427 39 V N 4.420 124.335 119.914 0.003 0.000 2.555 39 V HA 0.399 4.517 4.120 -0.003 0.000 0.302 39 V C -0.448 175.663 176.094 0.028 0.000 1.038 39 V CA -0.723 61.520 62.300 -0.095 0.000 0.887 39 V CB 1.506 33.145 31.823 -0.305 0.000 0.991 39 V HN 0.585 nan 8.190 nan 0.000 0.434 40 L N 6.258 127.490 121.223 0.016 0.000 2.305 40 L HA 0.662 5.000 4.340 -0.003 0.000 0.284 40 L C -0.770 176.128 176.870 0.047 0.000 1.013 40 L CA -0.550 54.250 54.840 -0.066 0.000 0.819 40 L CB 1.065 43.077 42.059 -0.078 0.000 1.227 40 L HN 0.797 nan 8.230 nan 0.000 0.417 41 Y N 2.083 122.310 120.300 -0.123 0.000 2.638 41 Y HA 0.984 5.532 4.550 -0.003 0.000 0.339 41 Y C -0.583 175.282 175.900 -0.058 0.000 1.084 41 Y CA -1.091 56.978 58.100 -0.052 0.000 1.068 41 Y CB 1.854 40.289 38.460 -0.040 0.000 1.294 41 Y HN 0.593 nan 8.280 nan 0.000 0.480 42 A N 0.688 123.597 122.820 0.149 0.000 2.564 42 A HA 0.446 4.765 4.320 -0.003 0.000 0.291 42 A C -1.930 175.732 177.584 0.130 0.000 1.102 42 A CA -0.649 51.419 52.037 0.051 0.000 0.660 42 A CB 0.957 19.943 19.000 -0.023 0.000 1.283 42 A HN 0.884 nan 8.150 nan 0.000 0.430 43 D N -0.374 120.084 120.400 0.096 0.000 2.399 43 D HA 0.262 4.901 4.640 -0.003 0.000 0.241 43 D C 1.176 177.543 176.300 0.112 0.000 1.133 43 D CA 0.074 54.147 54.000 0.122 0.000 0.890 43 D CB 0.675 41.545 40.800 0.117 0.000 1.201 43 D HN 0.435 nan 8.370 nan 0.000 0.432 44 R N 1.930 122.509 120.500 0.132 0.000 2.152 44 R HA -0.154 4.185 4.340 -0.003 0.000 0.232 44 R C 0.664 176.889 176.300 -0.125 0.000 1.117 44 R CA 1.101 57.203 56.100 0.005 0.000 0.981 44 R CB -0.109 30.184 30.300 -0.011 0.000 0.870 44 R HN 0.618 nan 8.270 nan 0.000 0.451 45 Y N -0.554 119.767 120.300 0.034 0.000 2.524 45 Y HA 0.335 4.883 4.550 -0.003 0.000 0.266 45 Y C 0.621 176.529 175.900 0.014 0.000 1.180 45 Y CA -0.592 57.522 58.100 0.024 0.000 1.244 45 Y CB 0.261 38.740 38.460 0.031 0.000 1.125 45 Y HN -0.027 nan 8.280 nan 0.000 0.524 46 A N 0.230 123.121 122.820 0.118 0.000 2.445 46 A HA 0.297 4.616 4.320 -0.003 0.000 0.242 46 A C 0.744 178.348 177.584 0.034 0.000 1.075 46 A CA -0.159 51.918 52.037 0.067 0.000 0.777 46 A CB 0.177 19.201 19.000 0.039 0.000 1.013 46 A HN 0.220 nan 8.150 nan 0.000 0.493 47 S N 1.750 117.465 115.700 0.025 0.000 2.568 47 S HA 0.216 4.685 4.470 -0.003 0.000 0.282 47 S C -1.325 173.270 174.600 -0.008 0.000 1.338 47 S CA -0.816 57.390 58.200 0.010 0.000 1.045 47 S CB 0.279 63.484 63.200 0.009 0.000 0.873 47 S HN 0.492 nan 8.310 nan 0.000 0.516 48 P HA -0.097 nan 4.420 nan 0.000 0.216 48 P C 0.368 177.651 177.300 -0.028 0.000 1.150 48 P CA 1.128 64.212 63.100 -0.027 0.000 0.837 48 P CB -0.009 31.674 31.700 -0.028 0.000 0.786 49 E N -0.822 119.366 120.200 -0.020 0.000 2.368 49 E HA 0.091 4.439 4.350 -0.003 0.000 0.188 49 E C 0.288 176.877 176.600 -0.018 0.000 1.061 49 E CA -0.079 56.309 56.400 -0.019 0.000 0.933 49 E CB -0.718 28.974 29.700 -0.014 0.000 1.091 49 E HN 0.281 nan 8.360 nan 0.000 0.458 50 E N 1.199 121.386 120.200 -0.021 0.000 2.313 50 E HA 0.090 4.438 4.350 -0.003 0.000 0.272 50 E C -0.602 175.977 176.600 -0.036 0.000 1.038 50 E CA -0.779 55.607 56.400 -0.023 0.000 0.863 50 E CB 0.763 30.452 29.700 -0.019 0.000 1.060 50 E HN 0.053 nan 8.360 nan 0.000 0.402 51 E N 3.307 123.486 120.200 -0.035 0.000 2.415 51 E HA 0.021 4.370 4.350 -0.003 0.000 0.260 51 E C -0.681 175.862 176.600 -0.095 0.000 1.016 51 E CA 0.015 56.388 56.400 -0.044 0.000 0.924 51 E CB 0.278 29.964 29.700 -0.023 0.000 0.961 51 E HN 0.346 nan 8.360 nan 0.000 0.459 52 L N 3.291 124.431 121.223 -0.137 0.000 2.417 52 L HA 0.300 4.639 4.340 -0.003 0.000 0.268 52 L C 0.607 177.225 176.870 -0.420 0.000 1.158 52 L CA -0.282 54.403 54.840 -0.257 0.000 0.819 52 L CB 0.788 42.691 42.059 -0.261 0.000 1.112 52 L HN 0.686 nan 8.230 nan 0.000 0.458 53 A N 3.965 126.440 122.820 -0.574 0.000 2.332 53 A HA 0.361 4.680 4.320 -0.003 0.000 0.258 53 A C -0.306 176.808 177.584 -0.783 0.000 1.087 53 A CA -0.243 51.357 52.037 -0.729 0.000 0.802 53 A CB 0.266 18.483 19.000 -1.304 0.000 1.042 53 A HN 0.771 nan 8.150 nan 0.000 0.489 54 H N -0.533 118.361 119.070 -0.293 0.000 2.572 54 H HA 0.665 5.219 4.556 -0.003 0.000 0.359 54 H C -0.593 174.751 175.328 0.026 0.000 1.134 54 H CA 0.137 56.128 56.048 -0.095 0.000 1.187 54 H CB 2.047 31.777 29.762 -0.054 0.000 1.597 54 H HN 0.882 nan 8.280 nan 0.000 0.524 55 A N 3.373 126.316 122.820 0.205 0.000 2.466 55 A HA 0.289 4.607 4.320 -0.003 0.000 0.284 55 A C -1.389 176.250 177.584 0.092 0.000 1.049 55 A CA -0.617 51.520 52.037 0.168 0.000 0.760 55 A CB 1.243 20.378 19.000 0.225 0.000 1.274 55 A HN 0.456 nan 8.150 nan 0.000 0.412 56 L N 2.632 123.896 121.223 0.068 0.000 2.331 56 L HA 0.656 4.994 4.340 -0.003 0.000 0.278 56 L C 0.577 177.475 176.870 0.047 0.000 1.106 56 L CA 0.374 55.244 54.840 0.049 0.000 0.824 56 L CB 1.142 43.226 42.059 0.041 0.000 1.142 56 L HN 0.909 nan 8.230 nan 0.000 0.443 57 A N 4.598 127.450 122.820 0.054 0.000 2.279 57 A HA 0.645 4.964 4.320 -0.003 0.000 0.306 57 A C 0.427 178.121 177.584 0.183 0.000 1.300 57 A CA -0.008 52.094 52.037 0.108 0.000 0.925 57 A CB -0.158 18.934 19.000 0.153 0.000 1.152 57 A HN 0.899 nan 8.150 nan 0.000 0.544 58 G N 1.324 110.230 108.800 0.176 0.000 2.539 58 G HA2 0.381 4.339 3.960 -0.003 0.000 0.258 58 G HA3 0.381 4.339 3.960 -0.003 0.000 0.258 58 G C 0.075 175.170 174.900 0.324 0.000 1.202 58 G CA -0.625 44.600 45.100 0.209 0.000 0.851 58 G HN 0.783 nan 8.290 nan 0.000 0.556 59 K N 1.307 121.891 120.400 0.306 0.000 2.315 59 K HA 0.329 4.647 4.320 -0.003 0.000 0.291 59 K C 1.239 177.841 176.600 0.003 0.000 1.074 59 K CA -0.053 56.279 56.287 0.076 0.000 0.936 59 K CB 0.493 33.013 32.500 0.033 0.000 1.049 59 K HN 0.411 nan 8.250 nan 0.000 0.471 60 A N 3.755 126.558 122.820 -0.028 0.000 2.119 60 A HA 0.158 4.476 4.320 -0.003 0.000 0.217 60 A C 0.827 178.391 177.584 -0.034 0.000 1.153 60 A CA 1.129 53.150 52.037 -0.026 0.000 0.692 60 A CB -0.186 18.789 19.000 -0.042 0.000 0.799 60 A HN 0.917 nan 8.150 nan 0.000 0.458 61 G N -2.888 105.895 108.800 -0.028 0.000 2.361 61 G HA2 0.429 4.387 3.960 -0.003 0.000 0.305 61 G HA3 0.429 4.387 3.960 -0.003 0.000 0.305 61 G C -0.975 173.987 174.900 0.102 0.000 1.367 61 G CA -0.102 45.010 45.100 0.019 0.000 0.951 61 G HN 0.681 nan 8.290 nan 0.000 0.615 62 S N -0.091 115.682 115.700 0.122 0.000 2.564 62 S HA 0.817 5.286 4.470 -0.003 0.000 0.274 62 S C -0.727 173.973 174.600 0.167 0.000 1.124 62 S CA -0.295 58.008 58.200 0.171 0.000 0.869 62 S CB 2.312 65.550 63.200 0.064 0.000 1.105 62 S HN 1.132 nan 8.310 nan 0.000 0.472 63 D N 0.015 120.541 120.400 0.209 0.000 2.720 63 D HA 0.350 4.989 4.640 -0.003 0.000 0.232 63 D C 0.959 177.303 176.300 0.073 0.000 1.173 63 D CA -0.549 53.540 54.000 0.148 0.000 1.082 63 D CB -0.260 40.685 40.800 0.243 0.000 1.235 63 D HN 0.347 nan 8.370 nan 0.000 0.636 64 E N -0.333 119.902 120.200 0.059 0.000 2.065 64 E HA -0.189 4.160 4.350 -0.003 0.000 0.201 64 E C 1.614 178.183 176.600 -0.053 0.000 1.016 64 E CA 1.531 57.936 56.400 0.009 0.000 0.818 64 E CB 0.105 29.816 29.700 0.019 0.000 0.749 64 E HN 0.410 nan 8.360 nan 0.000 0.453 65 R N -2.389 118.045 120.500 -0.109 0.000 2.453 65 R HA 0.204 4.543 4.340 -0.003 0.000 0.233 65 R C 0.195 176.087 176.300 -0.680 0.000 0.895 65 R CA -0.221 55.638 56.100 -0.402 0.000 1.028 65 R CB 0.721 30.676 30.300 -0.574 0.000 1.255 65 R HN -0.061 nan 8.270 nan 0.000 0.571 66 F N 0.419 120.321 119.950 -0.080 0.000 2.594 66 F HA 0.408 4.933 4.527 -0.003 0.000 0.335 66 F C 0.088 175.748 175.800 -0.234 0.000 1.058 66 F CA -1.100 56.780 58.000 -0.200 0.000 0.981 66 F CB 1.175 39.947 39.000 -0.380 0.000 1.289 66 F HN -0.297 nan 8.300 nan 0.000 0.490 67 D N -0.481 119.855 120.400 -0.106 0.000 2.269 67 D HA 0.395 5.033 4.640 -0.003 0.000 0.244 67 D C -1.524 174.529 176.300 -0.411 0.000 0.992 67 D CA -0.267 53.610 54.000 -0.205 0.000 0.894 67 D CB 1.593 42.268 40.800 -0.208 0.000 1.248 67 D HN 0.282 nan 8.370 nan 0.000 0.468 68 Y N 0.495 120.582 120.300 -0.355 0.000 2.346 68 Y HA 0.443 4.991 4.550 -0.003 0.000 0.332 68 Y C -0.668 174.962 175.900 -0.451 0.000 0.985 68 Y CA -0.864 57.087 58.100 -0.249 0.000 1.112 68 Y CB 1.168 39.559 38.460 -0.116 0.000 1.170 68 Y HN 0.151 nan 8.280 nan 0.000 0.447 69 F N 1.662 121.738 119.950 0.209 0.000 2.480 69 F HA 0.569 5.095 4.527 -0.003 0.000 0.329 69 F C 0.054 175.915 175.800 0.102 0.000 1.091 69 F CA -0.950 57.133 58.000 0.138 0.000 0.972 69 F CB 1.742 40.819 39.000 0.128 0.000 1.150 69 F HN 0.352 nan 8.300 nan 0.000 0.467 70 E N 1.153 121.492 120.200 0.231 0.000 2.293 70 E HA 0.819 5.168 4.350 -0.003 0.000 0.270 70 E C -1.344 175.284 176.600 0.046 0.000 0.879 70 E CA -1.071 55.378 56.400 0.082 0.000 0.756 70 E CB 2.687 32.383 29.700 -0.006 0.000 1.208 70 E HN 0.689 nan 8.360 nan 0.000 0.428 71 A N 2.060 124.853 122.820 -0.045 0.000 2.556 71 A HA 0.691 5.010 4.320 -0.003 0.000 0.294 71 A C -1.956 175.516 177.584 -0.186 0.000 1.091 71 A CA -0.629 51.353 52.037 -0.092 0.000 0.704 71 A CB 1.391 20.328 19.000 -0.105 0.000 1.300 71 A HN 0.385 nan 8.150 nan 0.000 0.406 72 L N 1.393 122.512 121.223 -0.174 0.000 2.343 72 L HA 0.677 5.016 4.340 -0.003 0.000 0.278 72 L C -1.671 175.040 176.870 -0.264 0.000 0.996 72 L CA -0.458 54.254 54.840 -0.214 0.000 0.831 72 L CB 1.076 43.054 42.059 -0.135 0.000 1.232 72 L HN 0.524 nan 8.230 nan 0.000 0.413 73 L N 4.880 125.843 121.223 -0.433 0.000 2.276 73 L HA 0.440 4.778 4.340 -0.003 0.000 0.286 73 L C 0.258 176.890 176.870 -0.398 0.000 1.061 73 L CA -0.103 54.332 54.840 -0.675 0.000 0.807 73 L CB 0.898 42.279 42.059 -1.130 0.000 1.177 73 L HN 0.471 nan 8.230 nan 0.000 0.429 74 E N 2.496 122.605 120.200 -0.151 0.000 2.129 74 E HA 0.175 4.523 4.350 -0.003 0.000 0.283 74 E C -0.845 175.779 176.600 0.040 0.000 1.080 74 E CA 0.026 56.419 56.400 -0.011 0.000 0.867 74 E CB 0.883 30.634 29.700 0.084 0.000 1.056 74 E HN 0.491 nan 8.360 nan 0.000 0.404 75 C N 3.051 122.325 119.300 -0.043 0.000 3.003 75 C HA 0.156 4.615 4.460 -0.003 0.000 0.241 75 C C 1.754 176.724 174.990 -0.033 0.000 1.224 75 C CA -0.604 58.401 59.018 -0.021 0.000 1.560 75 C CB -0.733 26.952 27.740 -0.091 0.000 1.768 75 C HN 0.632 nan 8.230 nan 0.000 0.440 76 S N 1.274 116.971 115.700 -0.005 0.000 2.420 76 S HA -0.187 4.281 4.470 -0.003 0.000 0.237 76 S C 1.976 176.557 174.600 -0.033 0.000 1.023 76 S CA 2.200 60.390 58.200 -0.016 0.000 0.991 76 S CB -0.282 62.918 63.200 0.001 0.000 0.792 76 S HN 0.923 nan 8.310 nan 0.000 0.488 77 T N -0.702 113.836 114.554 -0.027 0.000 3.113 77 T HA 0.190 4.538 4.350 -0.003 0.000 0.256 77 T C 0.608 175.222 174.700 -0.144 0.000 1.131 77 T CA 0.299 62.374 62.100 -0.041 0.000 1.074 77 T CB -0.476 68.399 68.868 0.012 0.000 0.944 77 T HN 0.473 nan 8.240 nan 0.000 0.516 78 K N 0.056 120.345 120.400 -0.186 0.000 3.407 78 K HA -0.183 4.136 4.320 -0.003 0.000 0.312 78 K C -0.285 176.076 176.600 -0.397 0.000 1.302 78 K CA 0.848 56.913 56.287 -0.369 0.000 0.931 78 K CB -1.475 30.638 32.500 -0.646 0.000 1.257 78 K HN 0.512 nan 8.250 nan 0.000 0.454 79 R N 0.304 120.719 120.500 -0.141 0.000 2.574 79 R HA 0.671 5.010 4.340 -0.003 0.000 0.288 79 R C -1.296 175.060 176.300 0.093 0.000 1.004 79 R CA -0.851 55.264 56.100 0.024 0.000 0.895 79 R CB 2.740 33.132 30.300 0.152 0.000 1.191 79 R HN -0.013 nan 8.270 nan 0.000 0.444 80 V N 2.751 122.753 119.914 0.148 0.000 3.048 80 V HA 0.523 4.641 4.120 -0.003 0.000 0.303 80 V C -1.683 174.555 176.094 0.240 0.000 1.214 80 V CA -0.740 61.666 62.300 0.177 0.000 0.984 80 V CB 2.461 34.349 31.823 0.107 0.000 1.054 80 V HN 0.826 nan 8.190 nan 0.000 0.430 81 K N 4.996 125.527 120.400 0.218 0.000 2.375 81 K HA 0.842 5.160 4.320 -0.003 0.000 0.249 81 K C -1.749 174.991 176.600 0.234 0.000 0.942 81 K CA -0.696 55.669 56.287 0.130 0.000 0.806 81 K CB 2.352 34.857 32.500 0.008 0.000 1.227 81 K HN 0.814 nan 8.250 nan 0.000 0.430 82 Y N -2.057 118.258 120.300 0.026 0.000 2.609 82 Y HA 0.686 5.234 4.550 -0.003 0.000 0.336 82 Y C -1.769 174.099 175.900 -0.053 0.000 1.129 82 Y CA -1.394 56.685 58.100 -0.036 0.000 1.040 82 Y CB 1.522 39.881 38.460 -0.169 0.000 1.310 82 Y HN 0.382 nan 8.280 nan 0.000 0.460 83 V N 3.000 122.953 119.914 0.064 0.000 2.709 83 V HA 0.621 4.740 4.120 -0.003 0.000 0.308 83 V C -1.632 174.509 176.094 0.077 0.000 1.062 83 V CA -1.080 61.276 62.300 0.093 0.000 0.901 83 V CB 1.678 33.580 31.823 0.131 0.000 1.003 83 V HN 0.701 nan 8.190 nan 0.000 0.425 84 F N 6.123 126.185 119.950 0.186 0.000 2.385 84 F HA 0.611 5.137 4.527 -0.002 0.000 0.336 84 F C -0.049 175.794 175.800 0.072 0.000 1.100 84 F CA -0.500 57.585 58.000 0.142 0.000 1.116 84 F CB 1.630 40.750 39.000 0.200 0.000 1.166 84 F HN 0.339 nan 8.300 nan 0.000 0.511 85 L N 5.414 126.711 121.223 0.123 0.000 2.318 85 L HA 0.500 4.838 4.340 -0.003 0.000 0.277 85 L C -1.230 175.594 176.870 -0.078 0.000 1.008 85 L CA -0.609 54.124 54.840 -0.178 0.000 0.846 85 L CB 0.512 42.408 42.059 -0.272 0.000 1.220 85 L HN 0.434 nan 8.230 nan 0.000 0.423 86 L N 4.416 125.608 121.223 -0.052 0.000 2.289 86 L HA 0.579 4.917 4.340 -0.003 0.000 0.285 86 L C 0.083 176.909 176.870 -0.072 0.000 1.049 86 L CA -0.373 54.440 54.840 -0.045 0.000 0.804 86 L CB 1.506 43.582 42.059 0.029 0.000 1.195 86 L HN 0.496 nan 8.230 nan 0.000 0.428 87 T N 1.851 116.352 114.554 -0.087 0.000 2.792 87 T HA 0.534 4.882 4.350 -0.003 0.000 0.280 87 T C 0.359 175.033 174.700 -0.043 0.000 0.990 87 T CA -0.465 61.598 62.100 -0.061 0.000 0.960 87 T CB 1.814 70.646 68.868 -0.061 0.000 0.939 87 T HN 0.776 nan 8.240 nan 0.000 0.439 88 G N 2.814 111.600 108.800 -0.023 0.000 2.557 88 G HA2 0.465 4.423 3.960 -0.003 0.000 0.302 88 G HA3 0.465 4.423 3.960 -0.003 0.000 0.302 88 G C -1.743 173.157 174.900 -0.000 0.000 1.311 88 G CA -1.580 43.514 45.100 -0.010 0.000 1.030 88 G HN 0.374 nan 8.290 nan 0.000 0.509 89 P HA -0.071 nan 4.420 nan 0.000 0.215 89 P C 1.362 178.666 177.300 0.005 0.000 1.153 89 P CA 1.196 64.302 63.100 0.010 0.000 0.853 89 P CB 0.225 31.930 31.700 0.009 0.000 0.788 90 Q N -1.495 118.305 119.800 0.001 0.000 2.282 90 Q HA 0.256 4.595 4.340 -0.003 0.000 0.205 90 Q C 1.022 177.023 176.000 0.002 0.000 0.915 90 Q CA 0.399 56.202 55.803 0.001 0.000 0.949 90 Q CB -0.448 28.290 28.738 -0.001 0.000 1.035 90 Q HN 0.202 nan 8.270 nan 0.000 0.484 91 G N 1.508 110.309 108.800 0.001 0.000 2.184 91 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.264 91 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.264 91 G C -0.027 174.873 174.900 0.000 0.000 0.975 91 G CA 0.361 45.461 45.100 0.000 0.000 0.642 91 G HN 0.497 nan 8.290 nan 0.000 0.536 92 E N 0.392 120.591 120.200 -0.001 0.000 2.415 92 E HA 0.460 4.808 4.350 -0.003 0.000 0.263 92 E C 0.149 176.748 176.600 -0.001 0.000 0.995 92 E CA 0.371 56.774 56.400 0.004 0.000 0.915 92 E CB 1.113 30.813 29.700 -0.000 0.000 0.951 92 E HN 1.168 nan 8.360 nan 0.000 0.449 93 A N 3.703 126.530 122.820 0.012 0.000 2.258 93 A HA 0.498 4.816 4.320 -0.003 0.000 0.316 93 A C -0.640 176.962 177.584 0.031 0.000 1.279 93 A CA -0.813 51.219 52.037 -0.007 0.000 0.876 93 A CB 0.967 19.966 19.000 -0.002 0.000 1.170 93 A HN 0.400 nan 8.150 nan 0.000 0.520 94 V N 3.371 123.293 119.914 0.012 0.000 2.540 94 V HA 0.331 4.450 4.120 -0.003 0.000 0.302 94 V C -1.021 175.146 176.094 0.122 0.000 1.035 94 V CA -0.524 61.852 62.300 0.126 0.000 0.873 94 V CB 1.272 33.186 31.823 0.151 0.000 0.992 94 V HN 0.798 nan 8.190 nan 0.000 0.428 95 Y N 3.817 124.254 120.300 0.229 0.000 2.320 95 Y HA 0.519 5.068 4.550 -0.003 0.000 0.324 95 Y C -0.226 175.878 175.900 0.340 0.000 1.190 95 Y CA -0.358 57.889 58.100 0.245 0.000 1.215 95 Y CB 1.373 39.926 38.460 0.154 0.000 1.221 95 Y HN 0.621 nan 8.280 nan 0.000 0.486 96 F N 2.267 122.369 119.950 0.253 0.000 2.507 96 F HA 0.760 5.286 4.527 -0.003 0.000 0.328 96 F C -0.126 175.768 175.800 0.157 0.000 1.136 96 F CA -0.412 57.594 58.000 0.010 0.000 0.930 96 F CB 1.076 40.095 39.000 0.032 0.000 1.166 96 F HN 0.590 nan 8.300 nan 0.000 0.436 97 G N 3.721 112.369 108.800 -0.253 0.000 2.727 97 G HA2 0.137 4.095 3.960 -0.003 0.000 0.289 97 G HA3 0.137 4.095 3.960 -0.003 0.000 0.289 97 G C -0.186 173.975 174.900 -1.231 0.000 1.418 97 G CA -0.542 44.186 45.100 -0.620 0.000 0.818 97 G HN 0.702 nan 8.290 nan 0.000 0.486 98 E N -0.887 118.337 120.200 -1.627 0.000 2.130 98 E HA -0.183 4.166 4.350 -0.003 0.000 0.196 98 E C 2.103 178.350 176.600 -0.589 0.000 0.998 98 E CA 2.058 57.679 56.400 -1.299 0.000 0.806 98 E CB 0.007 29.204 29.700 -0.839 0.000 0.738 98 E HN 0.446 nan 8.360 nan 0.000 0.459 99 T N -0.561 113.743 114.554 -0.416 0.000 2.904 99 T HA 0.162 4.510 4.350 -0.003 0.000 0.267 99 T C 0.713 175.333 174.700 -0.133 0.000 1.059 99 T CA 0.802 62.774 62.100 -0.214 0.000 1.137 99 T CB 0.327 69.105 68.868 -0.150 0.000 0.879 99 T HN 0.488 nan 8.240 nan 0.000 0.467 100 G N 0.139 108.842 108.800 -0.161 0.000 2.291 100 G HA2 0.288 4.247 3.960 -0.003 0.000 0.249 100 G HA3 0.288 4.247 3.960 -0.003 0.000 0.249 100 G C -1.753 173.076 174.900 -0.119 0.000 1.340 100 G CA -1.134 43.926 45.100 -0.067 0.000 1.017 100 G HN 0.155 nan 8.290 nan 0.000 0.470 101 F N 0.763 120.832 119.950 0.197 0.000 2.470 101 F HA 0.878 5.404 4.527 -0.003 0.000 0.329 101 F C 0.797 176.680 175.800 0.138 0.000 1.072 101 F CA 0.018 58.133 58.000 0.191 0.000 0.989 101 F CB 2.295 41.357 39.000 0.103 0.000 1.193 101 F HN 0.726 nan 8.300 nan 0.000 0.481 102 S N -0.096 115.815 115.700 0.352 0.000 2.586 102 S HA 0.561 5.030 4.470 -0.003 0.000 0.277 102 S C -0.056 174.702 174.600 0.264 0.000 1.131 102 S CA -0.061 58.279 58.200 0.233 0.000 0.848 102 S CB 0.937 64.220 63.200 0.140 0.000 1.091 102 S HN 0.880 nan 8.310 nan 0.000 0.453 103 A N 1.786 124.722 122.820 0.193 0.000 2.167 103 A HA 0.307 4.625 4.320 -0.003 0.000 0.214 103 A C 0.467 178.163 177.584 0.188 0.000 1.151 103 A CA 0.627 52.794 52.037 0.216 0.000 0.735 103 A CB -0.272 18.809 19.000 0.135 0.000 0.802 103 A HN 0.722 nan 8.150 nan 0.000 0.467 104 E N -0.954 119.286 120.200 0.067 0.000 2.171 104 E HA 0.368 4.716 4.350 -0.003 0.000 0.271 104 E C 0.417 176.844 176.600 -0.287 0.000 0.916 104 E CA -0.675 55.664 56.400 -0.102 0.000 0.774 104 E CB 1.645 31.309 29.700 -0.059 0.000 1.128 104 E HN 0.304 nan 8.360 nan 0.000 0.403 105 R N 1.510 121.628 120.500 -0.637 0.000 2.080 105 R HA -0.182 4.157 4.340 -0.003 0.000 0.236 105 R C 2.192 178.316 176.300 -0.293 0.000 1.137 105 R CA 2.322 57.986 56.100 -0.727 0.000 0.943 105 R CB -0.125 29.731 30.300 -0.739 0.000 0.846 105 R HN 0.639 nan 8.270 nan 0.000 0.431 106 S N 0.561 116.135 115.700 -0.210 0.000 2.374 106 S HA -0.180 4.288 4.470 -0.003 0.000 0.227 106 S C 1.654 176.194 174.600 -0.100 0.000 1.037 106 S CA 1.421 59.544 58.200 -0.130 0.000 1.024 106 S CB -0.253 62.888 63.200 -0.099 0.000 0.861 106 S HN 0.368 nan 8.310 nan 0.000 0.456 107 K N 1.241 121.591 120.400 -0.083 0.000 2.432 107 K HA 0.296 4.615 4.320 -0.003 0.000 0.196 107 K C 2.092 178.672 176.600 -0.033 0.000 1.038 107 K CA 0.627 56.887 56.287 -0.045 0.000 0.986 107 K CB -0.213 32.278 32.500 -0.014 0.000 0.782 107 K HN 0.522 nan 8.250 nan 0.000 0.485 108 A N 1.349 124.143 122.820 -0.043 0.000 2.081 108 A HA 0.237 4.555 4.320 -0.003 0.000 0.214 108 A C 1.090 178.610 177.584 -0.106 0.000 1.158 108 A CA 0.860 52.888 52.037 -0.016 0.000 0.724 108 A CB -0.297 18.754 19.000 0.084 0.000 0.826 108 A HN 0.365 nan 8.150 nan 0.000 0.463 109 G N -1.781 106.944 108.800 -0.125 0.000 2.642 109 G HA2 0.087 4.046 3.960 -0.003 0.000 0.231 109 G HA3 0.087 4.046 3.960 -0.003 0.000 0.231 109 G C -0.234 174.542 174.900 -0.208 0.000 1.338 109 G CA 0.106 45.099 45.100 -0.178 0.000 0.883 109 G HN 1.696 nan 8.290 nan 0.000 0.570 110 V N -0.481 119.263 119.914 -0.283 0.000 2.891 110 V HA 0.678 4.797 4.120 -0.003 0.000 0.304 110 V C -0.472 175.367 176.094 -0.424 0.000 1.171 110 V CA -1.040 61.081 62.300 -0.297 0.000 0.943 110 V CB 1.480 33.192 31.823 -0.185 0.000 1.037 110 V HN 1.081 nan 8.190 nan 0.000 0.427 111 F N 4.014 123.636 119.950 -0.547 0.000 2.410 111 F HA 0.574 5.099 4.527 -0.003 0.000 0.334 111 F C 0.780 176.189 175.800 -0.652 0.000 1.134 111 F CA 0.313 57.933 58.000 -0.634 0.000 1.227 111 F CB 1.050 39.507 39.000 -0.904 0.000 1.194 111 F HN 0.444 nan 8.300 nan 0.000 0.571 112 Q N 1.717 121.457 119.800 -0.100 0.000 2.347 112 Q HA 0.236 4.575 4.340 -0.003 0.000 0.271 112 Q C -1.819 174.288 176.000 0.179 0.000 1.064 112 Q CA -0.917 54.899 55.803 0.022 0.000 0.800 112 Q CB 2.771 31.493 28.738 -0.026 0.000 1.304 112 Q HN 0.595 nan 8.270 nan 0.000 0.438 113 Y N 1.270 121.678 120.300 0.180 0.000 2.587 113 Y HA 0.346 4.894 4.550 -0.003 0.000 0.328 113 Y C 0.812 176.783 175.900 0.119 0.000 0.980 113 Y CA -0.175 58.025 58.100 0.166 0.000 1.272 113 Y CB 0.576 39.132 38.460 0.161 0.000 1.094 113 Y HN 0.939 nan 8.280 nan 0.000 0.503 114 A N 4.830 127.638 122.820 -0.021 0.000 1.884 114 A HA -0.207 4.112 4.320 -0.003 0.000 0.219 114 A C -0.240 177.482 177.584 0.230 0.000 1.197 114 A CA 2.068 54.157 52.037 0.087 0.000 0.637 114 A CB -0.508 18.520 19.000 0.047 0.000 0.827 114 A HN 0.712 nan 8.150 nan 0.000 0.450 115 Y N -2.819 117.495 120.300 0.023 0.000 2.592 115 Y HA 0.537 5.085 4.550 -0.003 0.000 0.334 115 Y C -1.408 174.485 175.900 -0.012 0.000 1.136 115 Y CA -1.108 56.985 58.100 -0.011 0.000 1.042 115 Y CB 1.253 39.642 38.460 -0.119 0.000 1.325 115 Y HN 0.108 nan 8.280 nan 0.000 0.457 116 I N 5.470 125.830 120.570 -0.350 0.000 2.371 116 I HA 0.277 4.446 4.170 -0.003 0.000 0.282 116 I C -1.109 174.936 176.117 -0.121 0.000 1.031 116 I CA -0.505 60.747 61.300 -0.079 0.000 1.180 116 I CB 0.633 38.567 38.000 -0.110 0.000 1.336 116 I HN 0.582 nan 8.210 nan 0.000 0.467 117 H N 4.699 123.951 119.070 0.304 0.000 2.517 117 H HA 0.245 4.799 4.556 -0.003 0.000 0.317 117 H C 1.235 176.653 175.328 0.150 0.000 1.080 117 H CA -0.770 55.434 56.048 0.260 0.000 1.301 117 H CB 1.076 30.964 29.762 0.211 0.000 1.425 117 H HN 0.491 nan 8.280 nan 0.000 0.471 118 R N 1.296 121.923 120.500 0.212 0.000 2.139 118 R HA -0.191 4.147 4.340 -0.003 0.000 0.243 118 R C 1.341 177.716 176.300 0.125 0.000 1.145 118 R CA 1.908 58.089 56.100 0.134 0.000 0.976 118 R CB -0.433 29.928 30.300 0.101 0.000 0.866 118 R HN 0.575 nan 8.270 nan 0.000 0.449 119 S N -0.118 115.666 115.700 0.140 0.000 2.547 119 S HA -0.065 4.404 4.470 -0.003 0.000 0.235 119 S C 1.160 175.805 174.600 0.075 0.000 0.980 119 S CA 1.068 59.319 58.200 0.085 0.000 0.941 119 S CB 0.115 63.352 63.200 0.060 0.000 0.763 119 S HN 0.592 nan 8.310 nan 0.000 0.532 120 E N 0.321 120.596 120.200 0.125 0.000 2.526 120 E HA 0.210 4.558 4.350 -0.003 0.000 0.208 120 E C -0.893 175.776 176.600 0.115 0.000 0.997 120 E CA -0.176 56.292 56.400 0.112 0.000 0.961 120 E CB 1.095 30.904 29.700 0.182 0.000 1.030 120 E HN 0.310 nan 8.360 nan 0.000 0.483 121 V N 2.774 122.756 119.914 0.113 0.000 2.387 121 V HA 0.019 4.138 4.120 -0.003 0.000 0.260 121 V C 0.190 176.370 176.094 0.144 0.000 1.054 121 V CA -0.288 62.086 62.300 0.123 0.000 0.967 121 V CB -0.675 31.204 31.823 0.094 0.000 1.036 121 V HN 0.157 nan 8.190 nan 0.000 0.481 122 F N 4.788 124.727 119.950 -0.019 0.000 2.500 122 F HA 0.019 4.545 4.527 -0.003 0.000 0.409 122 F C 0.897 176.667 175.800 -0.049 0.000 0.982 122 F CA 0.937 58.904 58.000 -0.055 0.000 1.163 122 F CB 0.066 38.989 39.000 -0.128 0.000 0.942 122 F HN 0.521 nan 8.300 nan 0.000 0.535 123 T N 4.301 119.047 114.554 0.320 0.000 2.879 123 T HA 0.508 4.856 4.350 -0.003 0.000 0.290 123 T C -0.224 174.582 174.700 0.176 0.000 0.993 123 T CA -0.713 61.500 62.100 0.188 0.000 0.975 123 T CB 1.473 70.393 68.868 0.087 0.000 0.981 123 T HN 0.709 nan 8.240 nan 0.000 0.439 124 T N 0.738 115.356 114.554 0.106 0.000 2.908 124 T HA 0.706 5.054 4.350 -0.003 0.000 0.290 124 T C -3.020 171.658 174.700 -0.037 0.000 1.034 124 T CA -2.601 59.525 62.100 0.042 0.000 1.010 124 T CB 1.149 70.022 68.868 0.009 0.000 1.068 124 T HN 0.141 nan 8.240 nan 0.000 0.481 125 P HA 0.123 nan 4.420 nan 0.000 0.264 125 P C 0.895 178.073 177.300 -0.204 0.000 1.183 125 P CA -0.016 63.001 63.100 -0.137 0.000 0.763 125 P CB 0.490 32.030 31.700 -0.268 0.000 0.807 126 E N 2.675 122.839 120.200 -0.060 0.000 2.077 126 E HA -0.149 4.199 4.350 -0.003 0.000 0.193 126 E C 1.781 178.372 176.600 -0.016 0.000 0.989 126 E CA 1.321 57.704 56.400 -0.027 0.000 0.800 126 E CB -0.325 29.401 29.700 0.042 0.000 0.746 126 E HN 0.712 nan 8.360 nan 0.000 0.452 127 W N 0.445 121.741 121.300 -0.006 0.000 2.421 127 W HA 0.079 4.737 4.660 -0.003 0.000 0.270 127 W C 1.511 178.031 176.519 0.001 0.000 1.233 127 W CA 0.926 58.263 57.345 -0.013 0.000 1.226 127 W CB -0.630 28.816 29.460 -0.023 0.000 1.121 127 W HN -0.057 nan 8.180 nan 0.000 0.579 128 A N 1.501 123.791 122.820 -0.883 0.000 2.119 128 A HA -0.051 4.267 4.320 -0.003 0.000 0.216 128 A C 2.029 179.416 177.584 -0.330 0.000 1.152 128 A CA 0.903 52.432 52.037 -0.846 0.000 0.708 128 A CB -0.470 17.925 19.000 -1.009 0.000 0.805 128 A HN 0.327 nan 8.150 nan 0.000 0.460 129 K N -0.015 120.249 120.400 -0.226 0.000 2.432 129 K HA -0.016 4.303 4.320 -0.003 0.000 0.196 129 K C 0.376 176.928 176.600 -0.081 0.000 1.038 129 K CA 1.100 57.304 56.287 -0.139 0.000 0.986 129 K CB 0.113 32.547 32.500 -0.111 0.000 0.782 129 K HN 0.556 nan 8.250 nan 0.000 0.485 130 E N -0.017 120.171 120.200 -0.021 0.000 2.810 130 E HA 0.179 4.527 4.350 -0.003 0.000 0.214 130 E C -0.628 176.056 176.600 0.141 0.000 0.980 130 E CA -0.289 56.144 56.400 0.056 0.000 1.159 130 E CB 1.239 30.998 29.700 0.098 0.000 1.047 130 E HN 0.137 nan 8.360 nan 0.000 0.484 131 A N 0.972 123.840 122.820 0.080 0.000 2.304 131 A HA 0.521 4.839 4.320 -0.003 0.000 0.271 131 A C 0.017 177.629 177.584 0.045 0.000 1.091 131 A CA -0.261 51.867 52.037 0.153 0.000 0.812 131 A CB 0.939 20.056 19.000 0.194 0.000 1.056 131 A HN 0.050 nan 8.150 nan 0.000 0.489 132 V N 3.677 123.637 119.914 0.076 0.000 2.445 132 V HA 0.224 4.343 4.120 -0.003 0.000 0.283 132 V C -0.646 175.438 176.094 -0.017 0.000 1.014 132 V CA -0.503 61.784 62.300 -0.022 0.000 0.852 132 V CB 0.993 32.824 31.823 0.013 0.000 1.021 132 V HN 0.693 nan 8.190 nan 0.000 0.435 133 I N 3.861 124.331 120.570 -0.168 0.000 2.662 133 I HA 0.335 4.504 4.170 -0.003 0.000 0.291 133 I C -0.409 175.696 176.117 -0.020 0.000 1.046 133 I CA -0.451 60.736 61.300 -0.187 0.000 1.361 133 I CB 0.651 38.247 38.000 -0.674 0.000 1.429 133 I HN 0.610 nan 8.210 nan 0.000 0.558 134 Y N 4.020 124.278 120.300 -0.070 0.000 2.326 134 Y HA 0.305 4.853 4.550 -0.002 0.000 0.329 134 Y C 0.180 176.103 175.900 0.038 0.000 0.973 134 Y CA -0.742 57.371 58.100 0.023 0.000 1.162 134 Y CB 1.261 39.740 38.460 0.032 0.000 1.147 134 Y HN 0.613 nan 8.280 nan 0.000 0.456 135 Q N 6.150 125.877 119.800 -0.120 0.000 2.293 135 Q HA 0.489 4.827 4.340 -0.003 0.000 0.263 135 Q C -1.434 174.492 176.000 -0.125 0.000 1.002 135 Q CA -0.015 55.820 55.803 0.054 0.000 0.910 135 Q CB 0.507 29.469 28.738 0.374 0.000 1.185 135 Q HN 0.765 nan 8.270 nan 0.000 0.401 136 I N 4.840 125.220 120.570 -0.316 0.000 2.436 136 I HA 0.268 4.437 4.170 -0.003 0.000 0.289 136 I C -0.876 175.092 176.117 -0.249 0.000 1.010 136 I CA -0.627 60.460 61.300 -0.355 0.000 1.098 136 I CB 1.432 38.987 38.000 -0.742 0.000 1.266 136 I HN 0.663 nan 8.210 nan 0.000 0.434 137 F N 8.862 128.610 119.950 -0.338 0.000 2.303 137 F HA 0.324 4.849 4.527 -0.003 0.000 0.368 137 F C -1.251 174.417 175.800 -0.220 0.000 1.105 137 F CA -2.269 55.584 58.000 -0.246 0.000 1.153 137 F CB 1.209 40.149 39.000 -0.101 0.000 1.362 137 F HN 0.392 nan 8.300 nan 0.000 0.511 138 P HA -0.318 nan 4.420 nan 0.000 0.219 138 P C 1.225 178.528 177.300 0.005 0.000 1.161 138 P CA 1.592 64.644 63.100 -0.081 0.000 0.909 138 P CB 0.173 31.521 31.700 -0.585 0.000 0.793 139 E N -0.687 119.462 120.200 -0.086 0.000 2.209 139 E HA -0.157 4.192 4.350 -0.003 0.000 0.196 139 E C 1.724 178.273 176.600 -0.087 0.000 0.993 139 E CA 0.906 57.309 56.400 0.005 0.000 0.819 139 E CB -0.038 29.595 29.700 -0.113 0.000 0.745 139 E HN 0.235 nan 8.360 nan 0.000 0.477 140 R N -1.451 118.853 120.500 -0.328 0.000 2.472 140 R HA 0.113 4.452 4.340 -0.003 0.000 0.279 140 R C 1.565 177.809 176.300 -0.094 0.000 0.953 140 R CA -0.235 55.699 56.100 -0.277 0.000 1.088 140 R CB -0.289 29.785 30.300 -0.377 0.000 1.197 140 R HN 0.140 nan 8.270 nan 0.000 0.536 141 F N 1.184 121.075 119.950 -0.098 0.000 2.104 141 F HA 0.279 4.804 4.527 -0.003 0.000 0.288 141 F C 0.431 176.541 175.800 0.517 0.000 1.107 141 F CA 0.763 58.818 58.000 0.092 0.000 1.208 141 F CB 0.393 39.413 39.000 0.032 0.000 1.033 141 F HN -0.057 nan 8.300 nan 0.000 0.478 142 A N 0.147 123.284 122.820 0.527 0.000 2.555 142 A HA 0.323 4.641 4.320 -0.003 0.000 0.297 142 A C -1.604 175.978 177.584 -0.004 0.000 1.060 142 A CA -0.723 51.382 52.037 0.113 0.000 0.710 142 A CB 0.401 19.427 19.000 0.043 0.000 1.282 142 A HN 0.167 nan 8.150 nan 0.000 0.399 143 N N 1.589 120.083 118.700 -0.343 0.000 2.558 143 N HA 0.324 5.063 4.740 -0.003 0.000 0.233 143 N C 1.012 176.415 175.510 -0.178 0.000 1.038 143 N CA 0.676 53.634 53.050 -0.153 0.000 0.934 143 N CB 1.384 39.791 38.487 -0.133 0.000 1.175 143 N HN 0.846 nan 8.380 nan 0.000 0.512 144 G N 1.242 109.989 108.800 -0.088 0.000 2.777 144 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.211 144 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.211 144 G C 0.088 174.948 174.900 -0.068 0.000 1.149 144 G CA 0.150 45.191 45.100 -0.098 0.000 0.785 144 G HN 0.525 nan 8.290 nan 0.000 0.536 145 D N -0.954 119.423 120.400 -0.038 0.000 2.478 145 D HA 0.227 4.866 4.640 -0.003 0.000 0.240 145 D C -1.958 174.330 176.300 -0.021 0.000 1.364 145 D CA -1.600 52.383 54.000 -0.027 0.000 0.987 145 D CB 2.510 43.303 40.800 -0.011 0.000 1.328 145 D HN -0.074 nan 8.370 nan 0.000 0.584 146 P HA -0.096 nan 4.420 nan 0.000 0.226 146 P C 1.130 178.416 177.300 -0.024 0.000 1.153 146 P CA 0.503 63.593 63.100 -0.018 0.000 0.777 146 P CB 0.210 31.900 31.700 -0.016 0.000 0.794 147 S N 0.946 116.633 115.700 -0.023 0.000 2.500 147 S HA -0.141 4.327 4.470 -0.003 0.000 0.239 147 S C 1.375 175.955 174.600 -0.033 0.000 0.989 147 S CA 1.182 59.368 58.200 -0.023 0.000 0.951 147 S CB -1.426 61.764 63.200 -0.016 0.000 0.759 147 S HN 0.296 nan 8.310 nan 0.000 0.523 148 N N 0.029 118.703 118.700 -0.043 0.000 2.184 148 N HA 0.157 4.895 4.740 -0.003 0.000 0.206 148 N C -1.115 174.321 175.510 -0.123 0.000 1.151 148 N CA -0.363 52.645 53.050 -0.070 0.000 0.878 148 N CB -0.135 38.319 38.487 -0.056 0.000 1.014 148 N HN 0.115 nan 8.380 nan 0.000 0.512 149 D N 3.137 123.475 120.400 -0.104 0.000 2.383 149 D HA 0.122 4.760 4.640 -0.003 0.000 0.252 149 D C -1.908 174.277 176.300 -0.191 0.000 1.166 149 D CA -0.888 53.020 54.000 -0.153 0.000 0.879 149 D CB 0.959 41.713 40.800 -0.077 0.000 1.164 149 D HN 0.306 nan 8.370 nan 0.000 0.462 150 P HA 0.147 nan 4.420 nan 0.000 0.272 150 P C -2.553 174.680 177.300 -0.111 0.000 1.230 150 P CA -1.167 61.762 63.100 -0.285 0.000 0.788 150 P CB -0.137 31.188 31.700 -0.626 0.000 0.949 151 P HA 0.012 nan 4.420 nan 0.000 0.264 151 P C 0.812 178.174 177.300 0.103 0.000 1.193 151 P CA 0.931 64.056 63.100 0.042 0.000 0.763 151 P CB 0.002 31.733 31.700 0.053 0.000 0.810 152 G N 1.680 110.522 108.800 0.070 0.000 2.179 152 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.220 152 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.220 152 G C 0.309 175.242 174.900 0.054 0.000 0.990 152 G CA -0.093 45.054 45.100 0.079 0.000 0.646 152 G HN 0.640 nan 8.290 nan 0.000 0.517 153 T N 1.979 116.552 114.554 0.033 0.000 2.908 153 T HA 0.374 4.722 4.350 -0.003 0.000 0.301 153 T C 0.696 175.335 174.700 -0.102 0.000 1.019 153 T CA 0.793 62.875 62.100 -0.031 0.000 1.152 153 T CB 0.748 69.600 68.868 -0.026 0.000 0.966 153 T HN 0.511 nan 8.240 nan 0.000 0.540 154 E N 1.965 121.984 120.200 -0.300 0.000 2.292 154 E HA 0.266 4.615 4.350 -0.003 0.000 0.258 154 E C 0.046 176.583 176.600 -0.105 0.000 1.115 154 E CA -0.838 55.397 56.400 -0.275 0.000 0.929 154 E CB 0.776 30.193 29.700 -0.472 0.000 1.161 154 E HN 0.529 nan 8.360 nan 0.000 0.453 155 Q N 0.674 120.486 119.800 0.019 0.000 2.373 155 Q HA -0.020 4.319 4.340 -0.003 0.000 0.255 155 Q C -1.184 174.986 176.000 0.283 0.000 0.980 155 Q CA -0.176 55.717 55.803 0.151 0.000 0.882 155 Q CB 0.582 29.390 28.738 0.116 0.000 1.249 155 Q HN 0.488 nan 8.270 nan 0.000 0.438 156 W N 4.442 125.842 121.300 0.167 0.000 2.365 156 W HA 0.539 5.197 4.660 -0.002 0.000 0.371 156 W C -1.322 175.262 176.519 0.108 0.000 1.006 156 W CA -0.336 57.120 57.345 0.185 0.000 1.528 156 W CB 0.016 29.560 29.460 0.141 0.000 1.497 156 W HN 0.668 nan 8.180 nan 0.000 0.367 157 A N 4.288 127.186 122.820 0.129 0.000 2.413 157 A HA 0.318 4.637 4.320 -0.003 0.000 0.307 157 A C 0.899 178.480 177.584 -0.006 0.000 1.087 157 A CA -0.666 51.428 52.037 0.095 0.000 0.750 157 A CB 1.935 20.983 19.000 0.081 0.000 1.296 157 A HN 0.608 nan 8.150 nan 0.000 0.423 158 K N 0.242 120.647 120.400 0.009 0.000 2.148 158 K HA -0.161 4.157 4.320 -0.003 0.000 0.204 158 K C 0.468 177.033 176.600 -0.058 0.000 1.050 158 K CA 2.132 58.394 56.287 -0.043 0.000 0.942 158 K CB -0.064 32.419 32.500 -0.028 0.000 0.724 158 K HN 0.817 nan 8.250 nan 0.000 0.446 159 D N -0.044 120.339 120.400 -0.028 0.000 2.336 159 D HA 0.113 4.751 4.640 -0.003 0.000 0.228 159 D C -0.205 176.085 176.300 -0.017 0.000 1.120 159 D CA -0.287 53.698 54.000 -0.025 0.000 0.839 159 D CB 0.448 41.242 40.800 -0.010 0.000 0.932 159 D HN 0.223 nan 8.370 nan 0.000 0.509 160 A N 0.915 123.719 122.820 -0.027 0.000 2.440 160 A HA 0.451 4.769 4.320 -0.003 0.000 0.251 160 A C 0.307 177.885 177.584 -0.010 0.000 1.089 160 A CA -0.539 51.503 52.037 0.008 0.000 0.779 160 A CB 0.402 19.421 19.000 0.033 0.000 1.022 160 A HN 0.104 nan 8.150 nan 0.000 0.492 161 R N 2.686 123.207 120.500 0.035 0.000 2.335 161 R HA 0.325 4.664 4.340 -0.003 0.000 0.302 161 R C -2.870 173.474 176.300 0.075 0.000 1.147 161 R CA -1.754 54.363 56.100 0.028 0.000 1.111 161 R CB 0.426 30.738 30.300 0.021 0.000 1.122 161 R HN 0.509 nan 8.270 nan 0.000 0.557 162 P HA 0.103 nan 4.420 nan 0.000 0.266 162 P C -0.124 177.249 177.300 0.120 0.000 1.195 162 P CA 0.086 63.287 63.100 0.169 0.000 0.768 162 P CB 0.805 32.587 31.700 0.137 0.000 0.838 163 R N 0.794 121.368 120.500 0.124 0.000 2.828 163 R HA 0.246 4.584 4.340 -0.003 0.000 0.264 163 R C 1.593 177.970 176.300 0.129 0.000 1.022 163 R CA -0.804 55.362 56.100 0.109 0.000 1.021 163 R CB 0.444 30.794 30.300 0.083 0.000 1.163 163 R HN 0.615 nan 8.270 nan 0.000 0.494 164 H N 2.045 121.144 119.070 0.048 0.000 2.400 164 H HA -0.188 4.367 4.556 -0.003 0.000 0.295 164 H C 0.367 175.718 175.328 0.037 0.000 1.118 164 H CA 2.417 58.493 56.048 0.047 0.000 1.256 164 H CB 0.343 30.111 29.762 0.009 0.000 1.365 164 H HN 0.695 nan 8.280 nan 0.000 0.502 165 D N -0.230 120.221 120.400 0.085 0.000 2.368 165 D HA 0.029 4.667 4.640 -0.003 0.000 0.218 165 D C 0.137 176.415 176.300 -0.037 0.000 1.112 165 D CA -0.198 53.798 54.000 -0.006 0.000 0.834 165 D CB 0.108 40.902 40.800 -0.010 0.000 0.953 165 D HN 0.020 nan 8.370 nan 0.000 0.505 166 S N 0.228 115.914 115.700 -0.023 0.000 2.576 166 S HA 0.266 4.734 4.470 -0.003 0.000 0.272 166 S C -0.291 174.234 174.600 -0.125 0.000 1.352 166 S CA 0.072 58.247 58.200 -0.041 0.000 1.021 166 S CB 0.542 63.812 63.200 0.115 0.000 0.887 166 S HN 0.260 nan 8.310 nan 0.000 0.542 167 F N 0.441 120.274 119.950 -0.194 0.000 2.573 167 F HA 0.316 4.841 4.527 -0.002 0.000 0.316 167 F C -0.490 175.083 175.800 -0.378 0.000 1.148 167 F CA -0.670 57.212 58.000 -0.196 0.000 0.940 167 F CB 1.490 40.389 39.000 -0.169 0.000 1.214 167 F HN 0.626 nan 8.300 nan 0.000 0.448 168 Y N 0.829 121.226 120.300 0.162 0.000 2.426 168 Y HA 0.260 4.808 4.550 -0.003 0.000 0.249 168 Y C 1.554 177.606 175.900 0.253 0.000 1.103 168 Y CA 0.459 58.608 58.100 0.083 0.000 1.256 168 Y CB 1.369 39.690 38.460 -0.232 0.000 1.208 168 Y HN 0.798 nan 8.280 nan 0.000 0.519 169 G N 0.463 109.410 108.800 0.245 0.000 2.141 169 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.242 169 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.242 169 G C 0.721 175.790 174.900 0.283 0.000 0.982 169 G CA -0.114 45.090 45.100 0.174 0.000 0.662 169 G HN 0.680 nan 8.290 nan 0.000 0.527 170 G N 0.463 109.511 108.800 0.413 0.000 2.321 170 G HA2 0.507 4.466 3.960 -0.003 0.000 0.237 170 G HA3 0.507 4.466 3.960 -0.003 0.000 0.237 170 G C 0.108 175.220 174.900 0.353 0.000 1.282 170 G CA 1.024 46.370 45.100 0.409 0.000 0.886 170 G HN 1.091 nan 8.290 nan 0.000 0.528 171 D N 0.417 120.990 120.400 0.287 0.000 2.664 171 D HA 0.216 4.855 4.640 -0.003 0.000 0.292 171 D C 1.218 177.635 176.300 0.196 0.000 1.214 171 D CA -0.947 53.238 54.000 0.308 0.000 0.932 171 D CB 0.385 41.308 40.800 0.205 0.000 1.420 171 D HN 0.175 nan 8.370 nan 0.000 0.471 172 L N -0.772 120.547 121.223 0.161 0.000 2.056 172 L HA -0.089 4.249 4.340 -0.003 0.000 0.207 172 L C 2.316 179.221 176.870 0.059 0.000 1.078 172 L CA 1.268 56.152 54.840 0.073 0.000 0.749 172 L CB -0.599 41.484 42.059 0.040 0.000 0.901 172 L HN 0.425 nan 8.230 nan 0.000 0.433 173 K N 1.071 121.503 120.400 0.054 0.000 2.074 173 K HA -0.166 4.153 4.320 -0.003 0.000 0.209 173 K C 1.962 178.563 176.600 0.001 0.000 1.048 173 K CA 1.766 58.061 56.287 0.014 0.000 0.926 173 K CB -0.872 31.630 32.500 0.003 0.000 0.713 173 K HN 0.237 nan 8.250 nan 0.000 0.444 174 G N -0.027 108.788 108.800 0.025 0.000 2.440 174 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.218 174 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.218 174 G C 1.535 176.483 174.900 0.080 0.000 1.154 174 G CA 1.229 46.331 45.100 0.004 0.000 0.767 174 G HN 0.222 nan 8.290 nan 0.000 0.552 175 V N 1.275 121.284 119.914 0.159 0.000 2.343 175 V HA -0.171 3.948 4.120 -0.003 0.000 0.247 175 V C 2.782 178.918 176.094 0.070 0.000 1.051 175 V CA 1.507 63.901 62.300 0.158 0.000 1.036 175 V CB -0.458 31.442 31.823 0.128 0.000 0.654 175 V HN 0.399 nan 8.190 nan 0.000 0.451 176 I N 0.558 121.140 120.570 0.019 0.000 2.127 176 I HA -0.267 3.901 4.170 -0.003 0.000 0.241 176 I C 2.319 178.415 176.117 -0.035 0.000 1.075 176 I CA 1.903 63.192 61.300 -0.019 0.000 1.334 176 I CB -0.661 37.317 38.000 -0.037 0.000 1.040 176 I HN 0.353 nan 8.210 nan 0.000 0.405 177 D N 0.677 121.036 120.400 -0.068 0.000 2.218 177 D HA -0.139 4.500 4.640 -0.003 0.000 0.204 177 D C 1.833 178.043 176.300 -0.149 0.000 0.976 177 D CA 0.946 54.873 54.000 -0.121 0.000 0.853 177 D CB -0.272 40.418 40.800 -0.183 0.000 0.939 177 D HN 0.279 nan 8.370 nan 0.000 0.481 178 R N 0.280 120.710 120.500 -0.117 0.000 2.388 178 R HA 0.228 4.567 4.340 -0.003 0.000 0.247 178 R C 2.055 178.425 176.300 0.117 0.000 0.931 178 R CA -0.184 55.857 56.100 -0.099 0.000 1.082 178 R CB -0.208 30.008 30.300 -0.141 0.000 1.135 178 R HN 0.286 nan 8.270 nan 0.000 0.525 179 L N 0.897 122.156 121.223 0.061 0.000 2.079 179 L HA -0.122 4.216 4.340 -0.003 0.000 0.210 179 L C -0.658 176.258 176.870 0.078 0.000 1.081 179 L CA 1.570 56.449 54.840 0.063 0.000 0.752 179 L CB -1.341 40.725 42.059 0.011 0.000 0.896 179 L HN 0.052 nan 8.230 nan 0.000 0.433 180 P HA -0.237 nan 4.420 nan 0.000 0.216 180 P C 1.334 178.716 177.300 0.136 0.000 1.150 180 P CA 1.358 64.502 63.100 0.073 0.000 0.837 180 P CB -0.051 31.679 31.700 0.051 0.000 0.786 181 Y N 0.326 120.682 120.300 0.095 0.000 2.114 181 Y HA -0.174 4.374 4.550 -0.003 0.000 0.284 181 Y C 2.027 178.047 175.900 0.200 0.000 1.143 181 Y CA 1.528 59.748 58.100 0.199 0.000 1.135 181 Y CB -1.054 37.603 38.460 0.330 0.000 0.980 181 Y HN -0.228 nan 8.280 nan 0.000 0.499 182 L N 0.293 121.647 121.223 0.219 0.000 2.083 182 L HA -0.208 4.130 4.340 -0.003 0.000 0.209 182 L C 2.593 179.410 176.870 -0.088 0.000 1.083 182 L CA 1.908 56.734 54.840 -0.023 0.000 0.752 182 L CB -0.605 41.437 42.059 -0.030 0.000 0.899 182 L HN 0.334 nan 8.230 nan 0.000 0.433 183 E N 0.202 120.384 120.200 -0.030 0.000 2.110 183 E HA -0.279 4.070 4.350 -0.003 0.000 0.193 183 E C 2.076 178.642 176.600 -0.057 0.000 0.988 183 E CA 1.149 57.524 56.400 -0.042 0.000 0.804 183 E CB 0.104 29.791 29.700 -0.021 0.000 0.745 183 E HN 0.464 nan 8.360 nan 0.000 0.458 184 E N 0.214 120.383 120.200 -0.052 0.000 2.077 184 E HA -0.207 4.142 4.350 -0.003 0.000 0.193 184 E C 2.213 178.734 176.600 -0.132 0.000 0.989 184 E CA 0.829 57.198 56.400 -0.053 0.000 0.800 184 E CB -0.074 29.637 29.700 0.018 0.000 0.746 184 E HN 0.228 nan 8.360 nan 0.000 0.452 185 L N 0.136 121.238 121.223 -0.202 0.000 2.127 185 L HA -0.069 4.270 4.340 -0.003 0.000 0.211 185 L C 1.540 178.323 176.870 -0.146 0.000 1.089 185 L CA 2.458 57.134 54.840 -0.273 0.000 0.757 185 L CB -0.402 41.528 42.059 -0.215 0.000 0.899 185 L HN 0.399 nan 8.230 nan 0.000 0.434 186 G N -1.533 107.214 108.800 -0.088 0.000 2.148 186 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.203 186 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.203 186 G C 0.308 175.230 174.900 0.037 0.000 0.993 186 G CA 0.276 45.364 45.100 -0.021 0.000 0.661 186 G HN 0.922 nan 8.290 nan 0.000 0.518 187 V N -0.328 119.589 119.914 0.004 0.000 2.740 187 V HA 0.707 4.825 4.120 -0.003 0.000 0.303 187 V C 1.308 177.416 176.094 0.024 0.000 1.054 187 V CA 1.276 63.604 62.300 0.046 0.000 1.106 187 V CB 1.249 33.091 31.823 0.032 0.000 0.957 187 V HN 1.031 nan 8.190 nan 0.000 0.486 188 T N 0.337 114.927 114.554 0.060 0.000 3.054 188 T HA 0.699 5.047 4.350 -0.003 0.000 0.255 188 T C 0.401 175.116 174.700 0.024 0.000 1.035 188 T CA 0.372 62.489 62.100 0.027 0.000 0.941 188 T CB 0.092 69.003 68.868 0.071 0.000 1.026 188 T HN 1.830 nan 8.240 nan 0.000 0.533 189 A N 0.659 123.515 122.820 0.060 0.000 2.589 189 A HA 0.700 5.018 4.320 -0.003 0.000 0.296 189 A C -2.046 175.582 177.584 0.073 0.000 1.062 189 A CA -0.811 51.265 52.037 0.065 0.000 0.686 189 A CB 1.176 20.296 19.000 0.199 0.000 1.282 189 A HN 0.201 nan 8.150 nan 0.000 0.404 190 L N 1.703 122.962 121.223 0.060 0.000 2.341 190 L HA 0.576 4.914 4.340 -0.003 0.000 0.278 190 L C -0.951 175.925 176.870 0.009 0.000 1.005 190 L CA -0.306 54.517 54.840 -0.028 0.000 0.818 190 L CB 1.408 43.387 42.059 -0.134 0.000 1.259 190 L HN 0.690 nan 8.230 nan 0.000 0.418 191 Y N 4.443 124.612 120.300 -0.218 0.000 2.328 191 Y HA 0.623 5.172 4.550 -0.003 0.000 0.333 191 Y C -1.467 174.267 175.900 -0.277 0.000 0.958 191 Y CA -1.543 56.508 58.100 -0.082 0.000 1.167 191 Y CB 0.757 39.275 38.460 0.097 0.000 1.151 191 Y HN 0.389 nan 8.280 nan 0.000 0.470 192 F N 4.107 123.831 119.950 -0.376 0.000 2.421 192 F HA 0.440 4.965 4.527 -0.003 0.000 0.337 192 F C 1.004 176.366 175.800 -0.729 0.000 1.105 192 F CA -0.628 57.045 58.000 -0.545 0.000 1.049 192 F CB 1.567 40.359 39.000 -0.348 0.000 1.139 192 F HN 0.580 nan 8.300 nan 0.000 0.479 193 T N 0.383 114.599 114.554 -0.563 0.000 2.698 193 T HA 0.315 4.664 4.350 -0.003 0.000 0.295 193 T C -2.616 171.848 174.700 -0.392 0.000 1.007 193 T CA -1.936 59.870 62.100 -0.490 0.000 0.980 193 T CB 0.344 68.859 68.868 -0.587 0.000 1.036 193 T HN 0.192 nan 8.240 nan 0.000 0.526 194 P HA 0.092 nan 4.420 nan 0.000 0.263 194 P C 0.209 177.257 177.300 -0.418 0.000 1.168 194 P CA 0.435 63.219 63.100 -0.526 0.000 0.759 194 P CB -0.076 31.200 31.700 -0.707 0.000 0.782 195 I N -1.447 118.781 120.570 -0.570 0.000 3.820 195 I HA 0.336 4.504 4.170 -0.003 0.000 0.323 195 I C -0.405 175.673 176.117 -0.066 0.000 1.482 195 I CA -0.379 60.754 61.300 -0.278 0.000 1.048 195 I CB -0.078 37.596 38.000 -0.543 0.000 1.436 195 I HN 0.014 nan 8.210 nan 0.000 0.575 196 F N 2.389 122.330 119.950 -0.015 0.000 2.370 196 F HA 0.704 5.230 4.527 -0.003 0.000 0.319 196 F C 1.475 177.303 175.800 0.048 0.000 1.129 196 F CA -1.143 56.853 58.000 -0.007 0.000 1.109 196 F CB 1.030 39.974 39.000 -0.095 0.000 1.262 196 F HN 0.052 nan 8.300 nan 0.000 0.534 197 A N 2.170 125.168 122.820 0.297 0.000 2.563 197 A HA 0.287 4.606 4.320 -0.003 0.000 0.256 197 A C 0.139 177.809 177.584 0.143 0.000 1.056 197 A CA 0.619 52.766 52.037 0.184 0.000 0.775 197 A CB -0.513 18.589 19.000 0.169 0.000 0.973 197 A HN 0.640 nan 8.150 nan 0.000 0.516 198 S N 3.515 119.293 115.700 0.131 0.000 2.533 198 S HA 0.701 5.169 4.470 -0.003 0.000 0.271 198 S C -2.280 172.417 174.600 0.162 0.000 1.143 198 S CA -0.603 57.681 58.200 0.140 0.000 0.891 198 S CB 1.939 65.214 63.200 0.125 0.000 1.105 198 S HN 0.416 nan 8.310 nan 0.000 0.468 199 P HA 0.119 nan 4.420 nan 0.000 0.231 199 P C 0.662 178.111 177.300 0.249 0.000 1.168 199 P CA 0.233 63.449 63.100 0.194 0.000 0.779 199 P CB 0.179 31.987 31.700 0.181 0.000 0.844 200 S N -1.431 114.450 115.700 0.302 0.000 2.707 200 S HA 0.205 4.673 4.470 -0.003 0.000 0.276 200 S C 1.246 176.158 174.600 0.520 0.000 1.179 200 S CA -0.436 58.004 58.200 0.400 0.000 0.992 200 S CB 0.366 63.883 63.200 0.527 0.000 1.030 200 S HN 0.104 nan 8.310 nan 0.000 0.554 201 H N -0.052 119.223 119.070 0.341 0.000 2.372 201 H HA -0.055 4.499 4.556 -0.003 0.000 0.301 201 H C 1.806 177.422 175.328 0.480 0.000 1.065 201 H CA 1.515 57.755 56.048 0.320 0.000 1.364 201 H CB -0.059 29.725 29.762 0.037 0.000 1.406 201 H HN 0.749 nan 8.280 nan 0.000 0.521 202 H N 0.695 120.025 119.070 0.432 0.000 2.502 202 H HA 0.036 4.590 4.556 -0.003 0.000 0.283 202 H C 0.727 176.284 175.328 0.381 0.000 1.015 202 H CA 0.835 57.174 56.048 0.484 0.000 1.298 202 H CB -0.042 30.028 29.762 0.514 0.000 1.411 202 H HN 0.032 nan 8.280 nan 0.000 0.556 203 K N -0.982 119.498 120.400 0.134 0.000 3.230 203 K HA -0.210 4.108 4.320 -0.003 0.000 0.285 203 K C -0.327 175.998 176.600 -0.459 0.000 1.196 203 K CA 0.816 57.048 56.287 -0.092 0.000 0.838 203 K CB -2.627 29.908 32.500 0.058 0.000 1.262 203 K HN 0.438 nan 8.250 nan 0.000 0.492 204 Y N 0.443 120.260 120.300 -0.805 0.000 2.482 204 Y HA 0.046 4.595 4.550 -0.002 0.000 0.270 204 Y C 0.723 176.558 175.900 -0.108 0.000 1.152 204 Y CA 0.376 58.235 58.100 -0.402 0.000 1.292 204 Y CB 0.515 38.755 38.460 -0.368 0.000 1.070 204 Y HN 0.186 nan 8.280 nan 0.000 0.528 205 D N -0.108 120.289 120.400 -0.004 0.000 2.622 205 D HA 0.067 4.705 4.640 -0.003 0.000 0.262 205 D C -0.393 175.966 176.300 0.097 0.000 1.189 205 D CA -0.274 53.810 54.000 0.140 0.000 0.985 205 D CB -0.080 40.853 40.800 0.222 0.000 0.994 205 D HN -0.086 nan 8.370 nan 0.000 0.513 206 T N 0.788 115.346 114.554 0.006 0.000 2.822 206 T HA 0.251 4.599 4.350 -0.003 0.000 0.288 206 T C 1.296 175.995 174.700 -0.002 0.000 0.991 206 T CA 0.140 62.130 62.100 -0.183 0.000 1.176 206 T CB 1.312 69.653 68.868 -0.879 0.000 0.951 206 T HN 0.506 nan 8.240 nan 0.000 0.526 207 A N 2.855 125.737 122.820 0.103 0.000 1.993 207 A HA 0.265 4.584 4.320 -0.003 0.000 0.207 207 A C 0.871 178.679 177.584 0.373 0.000 1.224 207 A CA 0.101 52.308 52.037 0.284 0.000 0.749 207 A CB 0.390 19.526 19.000 0.227 0.000 0.884 207 A HN 0.675 nan 8.150 nan 0.000 0.467 208 D N -1.719 118.816 120.400 0.225 0.000 2.386 208 D HA 0.388 5.026 4.640 -0.003 0.000 0.247 208 D C -0.514 175.876 176.300 0.150 0.000 1.336 208 D CA -0.534 53.626 54.000 0.266 0.000 0.976 208 D CB 0.336 41.247 40.800 0.186 0.000 1.257 208 D HN 0.175 nan 8.370 nan 0.000 0.570 209 Y N 1.853 122.264 120.300 0.184 0.000 2.639 209 Y HA 0.079 4.628 4.550 -0.003 0.000 0.297 209 Y C 1.608 177.468 175.900 -0.066 0.000 1.151 209 Y CA 0.780 58.862 58.100 -0.030 0.000 1.335 209 Y CB 0.235 38.732 38.460 0.062 0.000 0.994 209 Y HN 0.411 nan 8.280 nan 0.000 0.548 210 L N -0.749 120.480 121.223 0.010 0.000 2.818 210 L HA 0.482 4.821 4.340 -0.003 0.000 0.243 210 L C 0.279 177.007 176.870 -0.238 0.000 1.185 210 L CA -0.305 54.262 54.840 -0.456 0.000 0.988 210 L CB 0.014 41.650 42.059 -0.705 0.000 1.292 210 L HN -0.002 nan 8.230 nan 0.000 0.519 211 A N 0.385 123.317 122.820 0.188 0.000 2.488 211 A HA 0.608 4.926 4.320 -0.003 0.000 0.298 211 A C -0.634 177.219 177.584 0.447 0.000 1.044 211 A CA -0.508 51.697 52.037 0.279 0.000 0.693 211 A CB 1.598 20.679 19.000 0.135 0.000 1.272 211 A HN -0.059 nan 8.150 nan 0.000 0.402 212 I N 1.749 122.600 120.570 0.468 0.000 2.588 212 I HA 0.063 4.232 4.170 -0.003 0.000 0.283 212 I C 0.542 176.823 176.117 0.272 0.000 1.119 212 I CA 0.154 61.689 61.300 0.391 0.000 1.419 212 I CB 0.639 38.834 38.000 0.326 0.000 1.394 212 I HN 0.821 nan 8.210 nan 0.000 0.562 213 D N 8.187 128.742 120.400 0.259 0.000 2.458 213 D HA 0.052 4.691 4.640 -0.003 0.000 0.243 213 D C -1.622 174.692 176.300 0.022 0.000 1.146 213 D CA -1.009 53.055 54.000 0.107 0.000 0.877 213 D CB 1.119 41.921 40.800 0.003 0.000 1.176 213 D HN 0.236 nan 8.370 nan 0.000 0.461 214 P HA -0.215 nan 4.420 nan 0.000 0.217 214 P C 0.964 178.204 177.300 -0.099 0.000 1.148 214 P CA 1.130 64.218 63.100 -0.020 0.000 0.834 214 P CB 0.082 31.772 31.700 -0.016 0.000 0.783 215 Q N -2.030 117.617 119.800 -0.255 0.000 2.364 215 Q HA -0.130 4.208 4.340 -0.003 0.000 0.207 215 Q C 0.918 176.677 176.000 -0.402 0.000 0.970 215 Q CA 1.156 56.712 55.803 -0.413 0.000 0.888 215 Q CB -0.155 28.199 28.738 -0.639 0.000 0.951 215 Q HN 0.223 nan 8.270 nan 0.000 0.469 216 F N -1.559 118.395 119.950 0.006 0.000 2.653 216 F HA 0.396 4.921 4.527 -0.003 0.000 0.288 216 F C 1.243 177.060 175.800 0.029 0.000 1.121 216 F CA 0.657 58.668 58.000 0.017 0.000 1.384 216 F CB 0.775 39.785 39.000 0.018 0.000 1.115 216 F HN 0.126 nan 8.300 nan 0.000 0.599 217 G N -0.318 108.590 108.800 0.179 0.000 2.373 217 G HA2 0.221 4.180 3.960 -0.003 0.000 0.250 217 G HA3 0.221 4.180 3.960 -0.003 0.000 0.250 217 G C -2.051 172.934 174.900 0.142 0.000 1.304 217 G CA -0.371 44.813 45.100 0.140 0.000 0.948 217 G HN 0.054 nan 8.290 nan 0.000 0.474 218 D N -0.728 119.760 120.400 0.147 0.000 2.533 218 D HA 0.495 5.133 4.640 -0.003 0.000 0.247 218 D C 1.303 177.726 176.300 0.205 0.000 1.056 218 D CA -0.734 53.358 54.000 0.153 0.000 1.054 218 D CB 2.324 43.187 40.800 0.106 0.000 1.400 218 D HN 0.554 nan 8.370 nan 0.000 0.533 219 L N 0.722 122.067 121.223 0.205 0.000 2.012 219 L HA -0.052 4.287 4.340 -0.003 0.000 0.210 219 L C -1.049 175.952 176.870 0.219 0.000 1.073 219 L CA 2.068 57.054 54.840 0.243 0.000 0.748 219 L CB -1.587 40.581 42.059 0.181 0.000 0.891 219 L HN 0.330 nan 8.230 nan 0.000 0.431 220 P HA -0.112 nan 4.420 nan 0.000 0.218 220 P C 1.486 178.840 177.300 0.091 0.000 1.148 220 P CA 1.772 64.929 63.100 0.095 0.000 0.822 220 P CB -0.133 31.605 31.700 0.064 0.000 0.784 221 T N -1.147 113.476 114.554 0.114 0.000 2.770 221 T HA -0.130 4.218 4.350 -0.003 0.000 0.263 221 T C 1.445 176.198 174.700 0.089 0.000 1.039 221 T CA 0.885 63.038 62.100 0.087 0.000 1.142 221 T CB -1.042 67.885 68.868 0.098 0.000 0.868 221 T HN 0.031 nan 8.240 nan 0.000 0.435 222 F N 2.577 122.542 119.950 0.026 0.000 2.126 222 F HA -0.134 4.392 4.527 -0.003 0.000 0.299 222 F C 2.422 178.205 175.800 -0.027 0.000 1.096 222 F CA 1.226 59.225 58.000 -0.001 0.000 1.255 222 F CB -0.084 38.986 39.000 0.116 0.000 0.997 222 F HN -0.149 nan 8.300 nan 0.000 0.479 223 R N 0.394 120.951 120.500 0.095 0.000 2.091 223 R HA -0.180 4.159 4.340 -0.003 0.000 0.238 223 R C 2.321 178.535 176.300 -0.142 0.000 1.136 223 R CA 1.533 57.612 56.100 -0.035 0.000 0.959 223 R CB -0.977 29.344 30.300 0.035 0.000 0.856 223 R HN 0.241 nan 8.270 nan 0.000 0.437 224 R N 0.921 121.364 120.500 -0.094 0.000 2.096 224 R HA -0.102 4.236 4.340 -0.003 0.000 0.235 224 R C 2.151 178.351 176.300 -0.165 0.000 1.127 224 R CA 1.071 57.110 56.100 -0.101 0.000 0.968 224 R CB -0.779 29.488 30.300 -0.055 0.000 0.861 224 R HN 0.171 nan 8.270 nan 0.000 0.440 225 L N -0.260 120.823 121.223 -0.233 0.000 1.994 225 L HA -0.097 4.241 4.340 -0.003 0.000 0.208 225 L C 1.984 178.626 176.870 -0.380 0.000 1.071 225 L CA 1.679 56.344 54.840 -0.292 0.000 0.745 225 L CB -0.692 41.139 42.059 -0.381 0.000 0.892 225 L HN 0.069 nan 8.230 nan 0.000 0.431 226 V N 0.190 119.764 119.914 -0.567 0.000 2.287 226 V HA -0.312 3.807 4.120 -0.003 0.000 0.248 226 V C 2.315 178.045 176.094 -0.606 0.000 1.053 226 V CA 2.076 63.974 62.300 -0.671 0.000 1.027 226 V CB -0.871 30.542 31.823 -0.684 0.000 0.646 226 V HN 0.469 nan 8.190 nan 0.000 0.447 227 D N -0.478 119.711 120.400 -0.352 0.000 2.097 227 D HA -0.112 4.526 4.640 -0.003 0.000 0.197 227 D C 2.316 178.547 176.300 -0.114 0.000 0.984 227 D CA 0.989 54.876 54.000 -0.188 0.000 0.826 227 D CB -0.284 40.447 40.800 -0.114 0.000 0.973 227 D HN 0.384 nan 8.370 nan 0.000 0.460 228 E N 0.760 120.887 120.200 -0.120 0.000 2.110 228 E HA -0.098 4.251 4.350 -0.003 0.000 0.193 228 E C 2.072 178.634 176.600 -0.063 0.000 0.988 228 E CA 0.867 57.221 56.400 -0.077 0.000 0.804 228 E CB -0.318 29.338 29.700 -0.074 0.000 0.745 228 E HN 0.226 nan 8.360 nan 0.000 0.458 229 A N 1.002 123.765 122.820 -0.095 0.000 1.898 229 A HA -0.190 4.128 4.320 -0.003 0.000 0.216 229 A C 1.954 179.552 177.584 0.022 0.000 1.181 229 A CA 1.498 53.504 52.037 -0.053 0.000 0.620 229 A CB -0.958 17.994 19.000 -0.080 0.000 0.819 229 A HN 0.349 nan 8.150 nan 0.000 0.442 230 H N -0.152 118.847 119.070 -0.119 0.000 2.387 230 H HA -0.149 4.405 4.556 -0.003 0.000 0.299 230 H C 2.242 177.507 175.328 -0.106 0.000 1.099 230 H CA 1.298 57.270 56.048 -0.126 0.000 1.315 230 H CB 0.016 29.704 29.762 -0.124 0.000 1.380 230 H HN 0.609 nan 8.280 nan 0.000 0.513 231 R N 0.841 121.368 120.500 0.045 0.000 2.316 231 R HA -0.014 4.325 4.340 -0.003 0.000 0.202 231 R C 1.172 177.456 176.300 -0.026 0.000 1.029 231 R CA 0.719 56.816 56.100 -0.007 0.000 1.018 231 R CB 0.068 30.360 30.300 -0.013 0.000 0.888 231 R HN 0.084 nan 8.270 nan 0.000 0.471 232 R N 0.158 120.643 120.500 -0.026 0.000 2.362 232 R HA 0.188 4.526 4.340 -0.003 0.000 0.227 232 R C 0.735 177.000 176.300 -0.057 0.000 0.905 232 R CA 0.578 56.656 56.100 -0.037 0.000 1.067 232 R CB 0.602 30.884 30.300 -0.030 0.000 1.078 232 R HN 0.528 nan 8.270 nan 0.000 0.516 233 G N 0.594 109.352 108.800 -0.070 0.000 2.137 233 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.237 233 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.237 233 G C -0.044 174.787 174.900 -0.116 0.000 1.002 233 G CA -0.056 44.977 45.100 -0.111 0.000 0.702 233 G HN 0.245 nan 8.290 nan 0.000 0.515 234 I N 0.826 121.351 120.570 -0.076 0.000 2.354 234 I HA 0.375 4.543 4.170 -0.003 0.000 0.292 234 I C 0.505 176.596 176.117 -0.043 0.000 0.989 234 I CA -0.947 60.317 61.300 -0.061 0.000 1.188 234 I CB 1.365 39.346 38.000 -0.032 0.000 1.342 234 I HN -0.114 nan 8.210 nan 0.000 0.457 235 K N 6.028 126.351 120.400 -0.128 0.000 2.109 235 K HA 0.598 4.916 4.320 -0.003 0.000 0.243 235 K C -0.629 175.979 176.600 0.015 0.000 1.006 235 K CA -0.753 55.443 56.287 -0.152 0.000 0.917 235 K CB 1.869 34.044 32.500 -0.543 0.000 1.081 235 K HN 0.373 nan 8.250 nan 0.000 0.468 236 I N 2.717 123.327 120.570 0.066 0.000 2.447 236 I HA 0.292 4.460 4.170 -0.003 0.000 0.287 236 I C -0.510 175.714 176.117 0.178 0.000 1.023 236 I CA -0.725 60.666 61.300 0.152 0.000 1.083 236 I CB 1.386 39.416 38.000 0.050 0.000 1.245 236 I HN 0.324 nan 8.210 nan 0.000 0.434 237 I N 6.946 127.685 120.570 0.281 0.000 2.389 237 I HA 0.442 4.611 4.170 -0.003 0.000 0.288 237 I C -0.007 176.290 176.117 0.300 0.000 0.999 237 I CA -0.562 60.900 61.300 0.270 0.000 1.129 237 I CB 1.778 40.034 38.000 0.427 0.000 1.288 237 I HN 0.297 nan 8.210 nan 0.000 0.444 238 L N 4.626 125.882 121.223 0.054 0.000 2.334 238 L HA 0.412 4.751 4.340 -0.003 0.000 0.275 238 L C 0.335 177.263 176.870 0.095 0.000 1.036 238 L CA -0.611 54.214 54.840 -0.025 0.000 0.807 238 L CB 1.683 43.561 42.059 -0.303 0.000 1.231 238 L HN 0.516 nan 8.230 nan 0.000 0.438 239 D N 2.119 122.544 120.400 0.043 0.000 2.295 239 D HA 0.388 5.027 4.640 -0.003 0.000 0.248 239 D C -0.760 175.611 176.300 0.119 0.000 1.154 239 D CA -0.119 53.948 54.000 0.113 0.000 0.857 239 D CB 1.763 42.596 40.800 0.054 0.000 1.117 239 D HN 0.548 nan 8.370 nan 0.000 0.468 240 A N 3.694 126.618 122.820 0.174 0.000 2.288 240 A HA 0.492 4.810 4.320 -0.003 0.000 0.320 240 A C -0.477 176.967 177.584 -0.234 0.000 1.217 240 A CA -0.689 51.387 52.037 0.064 0.000 0.840 240 A CB 1.148 19.972 19.000 -0.293 0.000 1.179 240 A HN 0.377 nan 8.150 nan 0.000 0.504 241 V N 2.791 122.734 119.914 0.048 0.000 2.257 241 V HA 0.287 4.405 4.120 -0.003 0.000 0.269 241 V C -0.289 175.946 176.094 0.235 0.000 1.040 241 V CA -0.208 62.092 62.300 -0.001 0.000 0.813 241 V CB -0.463 31.372 31.823 0.019 0.000 1.065 241 V HN 0.801 nan 8.190 nan 0.000 0.457 242 F N 1.466 121.358 119.950 -0.098 0.000 2.746 242 F HA 0.158 4.683 4.527 -0.003 0.000 0.297 242 F C 2.109 177.709 175.800 -0.333 0.000 1.113 242 F CA -0.212 57.640 58.000 -0.247 0.000 1.367 242 F CB -0.560 38.235 39.000 -0.341 0.000 1.111 242 F HN 0.541 nan 8.300 nan 0.000 0.590 243 N N 1.139 119.758 118.700 -0.136 0.000 2.244 243 N HA -0.157 4.582 4.740 -0.003 0.000 0.183 243 N C -0.118 175.387 175.510 -0.008 0.000 1.016 243 N CA 1.205 54.184 53.050 -0.118 0.000 0.866 243 N CB -0.066 38.387 38.487 -0.058 0.000 0.980 243 N HN 0.419 nan 8.380 nan 0.000 0.430 244 H N -2.681 116.441 119.070 0.086 0.000 2.985 244 H HA 0.799 5.354 4.556 -0.003 0.000 0.360 244 H C -1.081 174.330 175.328 0.139 0.000 1.221 244 H CA -0.734 55.384 56.048 0.117 0.000 1.121 244 H CB 1.143 30.995 29.762 0.150 0.000 1.854 244 H HN 0.114 nan 8.280 nan 0.000 0.551 245 A N 0.662 123.694 122.820 0.354 0.000 2.392 245 A HA 0.843 5.161 4.320 -0.003 0.000 0.283 245 A C 0.345 178.084 177.584 0.258 0.000 1.197 245 A CA -0.617 51.583 52.037 0.273 0.000 0.895 245 A CB 0.729 19.794 19.000 0.109 0.000 1.400 245 A HN 1.101 nan 8.150 nan 0.000 0.461 246 G N -0.880 108.063 108.800 0.238 0.000 2.451 246 G HA2 0.418 4.377 3.960 -0.003 0.000 0.303 246 G HA3 0.418 4.377 3.960 -0.003 0.000 0.303 246 G C 0.098 175.138 174.900 0.232 0.000 1.166 246 G CA 0.408 45.642 45.100 0.224 0.000 0.884 246 G HN 0.746 nan 8.290 nan 0.000 0.514 247 D N -0.619 119.906 120.400 0.209 0.000 2.371 247 D HA -0.077 4.562 4.640 -0.003 0.000 0.221 247 D C 1.586 178.158 176.300 0.454 0.000 0.986 247 D CA 0.618 54.816 54.000 0.330 0.000 0.899 247 D CB 0.298 41.297 40.800 0.332 0.000 0.902 247 D HN 0.340 nan 8.370 nan 0.000 0.530 248 Q N -1.198 118.816 119.800 0.357 0.000 2.282 248 Q HA 0.223 4.562 4.340 -0.003 0.000 0.206 248 Q C -0.459 175.764 176.000 0.372 0.000 0.878 248 Q CA -0.495 55.491 55.803 0.305 0.000 0.944 248 Q CB -0.066 28.818 28.738 0.242 0.000 1.100 248 Q HN 0.234 nan 8.270 nan 0.000 0.509 249 F N 1.186 121.305 119.950 0.281 0.000 2.608 249 F HA -0.054 4.471 4.527 -0.003 0.000 0.380 249 F C 1.037 176.980 175.800 0.239 0.000 1.083 249 F CA -0.864 57.323 58.000 0.312 0.000 1.266 249 F CB 0.157 39.381 39.000 0.374 0.000 1.076 249 F HN 0.228 nan 8.300 nan 0.000 0.574 250 F N 5.329 125.085 119.950 -0.323 0.000 2.063 250 F HA -0.250 4.275 4.527 -0.003 0.000 0.298 250 F C 1.810 177.236 175.800 -0.623 0.000 1.105 250 F CA 2.067 59.805 58.000 -0.436 0.000 1.215 250 F CB -1.134 37.622 39.000 -0.407 0.000 0.972 250 F HN 0.434 nan 8.300 nan 0.000 0.483 251 A N 0.158 121.395 122.820 -2.638 0.000 1.902 251 A HA -0.141 4.178 4.320 -0.003 0.000 0.217 251 A C 2.163 179.364 177.584 -0.638 0.000 1.181 251 A CA 1.579 52.348 52.037 -2.113 0.000 0.623 251 A CB -1.589 16.323 19.000 -1.813 0.000 0.818 251 A HN 0.598 nan 8.150 nan 0.000 0.443 252 F N 0.640 120.385 119.950 -0.343 0.000 2.113 252 F HA -0.085 4.440 4.527 -0.003 0.000 0.297 252 F C 2.366 177.967 175.800 -0.333 0.000 1.103 252 F CA 1.578 59.379 58.000 -0.331 0.000 1.248 252 F CB -0.387 38.541 39.000 -0.120 0.000 0.999 252 F HN 0.108 nan 8.300 nan 0.000 0.475 253 R N 0.123 120.474 120.500 -0.248 0.000 2.139 253 R HA -0.225 4.114 4.340 -0.003 0.000 0.243 253 R C 2.156 178.264 176.300 -0.320 0.000 1.145 253 R CA 1.558 57.487 56.100 -0.286 0.000 0.976 253 R CB -0.887 29.357 30.300 -0.093 0.000 0.866 253 R HN 0.439 nan 8.270 nan 0.000 0.449 254 D N 0.347 120.563 120.400 -0.308 0.000 2.178 254 D HA -0.118 4.520 4.640 -0.003 0.000 0.201 254 D C 1.582 177.745 176.300 -0.227 0.000 0.980 254 D CA 1.203 55.078 54.000 -0.208 0.000 0.842 254 D CB 0.370 41.101 40.800 -0.115 0.000 0.948 254 D HN 0.080 nan 8.370 nan 0.000 0.472 255 V N 0.919 120.627 119.914 -0.343 0.000 2.488 255 V HA -0.132 3.986 4.120 -0.003 0.000 0.246 255 V C 2.697 178.567 176.094 -0.373 0.000 1.046 255 V CA 0.607 62.711 62.300 -0.327 0.000 1.053 255 V CB -0.511 31.064 31.823 -0.412 0.000 0.679 255 V HN 0.179 nan 8.190 nan 0.000 0.458 256 L N -0.296 120.594 121.223 -0.556 0.000 2.353 256 L HA -0.178 4.161 4.340 -0.003 0.000 0.220 256 L C 2.473 179.203 176.870 -0.234 0.000 1.133 256 L CA 1.464 56.041 54.840 -0.440 0.000 0.798 256 L CB -0.389 41.378 42.059 -0.486 0.000 0.922 256 L HN 0.438 nan 8.230 nan 0.000 0.445 257 Q N -0.916 118.764 119.800 -0.201 0.000 2.481 257 Q HA 0.028 4.366 4.340 -0.003 0.000 0.219 257 Q C 1.617 177.548 176.000 -0.114 0.000 0.920 257 Q CA 0.297 56.022 55.803 -0.130 0.000 0.915 257 Q CB 0.326 28.998 28.738 -0.111 0.000 1.057 257 Q HN 0.266 nan 8.270 nan 0.000 0.581 258 K N 0.687 121.010 120.400 -0.127 0.000 2.404 258 K HA 0.144 4.463 4.320 -0.003 0.000 0.194 258 K C 0.866 177.381 176.600 -0.141 0.000 1.023 258 K CA 0.422 56.635 56.287 -0.123 0.000 1.094 258 K CB 0.552 32.978 32.500 -0.123 0.000 0.841 258 K HN 0.296 nan 8.250 nan 0.000 0.523 259 G N 2.665 111.394 108.800 -0.118 0.000 2.672 259 G HA2 -0.458 3.500 3.960 -0.003 0.000 0.324 259 G HA3 -0.458 3.500 3.960 -0.003 0.000 0.324 259 G C 0.854 175.646 174.900 -0.180 0.000 1.286 259 G CA 0.941 45.990 45.100 -0.084 0.000 1.004 259 G HN 0.473 nan 8.290 nan 0.000 0.548 260 E N 0.085 119.862 120.200 -0.705 0.000 2.153 260 E HA -0.096 4.252 4.350 -0.003 0.000 0.194 260 E C 2.230 178.643 176.600 -0.313 0.000 0.988 260 E CA 1.457 57.382 56.400 -0.793 0.000 0.811 260 E CB -0.081 28.940 29.700 -1.131 0.000 0.746 260 E HN 0.564 nan 8.360 nan 0.000 0.466 261 Q N 0.523 120.166 119.800 -0.263 0.000 2.265 261 Q HA 0.095 4.434 4.340 -0.003 0.000 0.217 261 Q C -0.470 175.436 176.000 -0.157 0.000 0.916 261 Q CA -0.078 55.617 55.803 -0.180 0.000 0.948 261 Q CB 0.685 29.328 28.738 -0.159 0.000 1.020 261 Q HN -0.045 nan 8.270 nan 0.000 0.462 262 S N 0.012 115.625 115.700 -0.144 0.000 2.465 262 S HA 0.216 4.685 4.470 -0.003 0.000 0.279 262 S C 0.905 175.380 174.600 -0.210 0.000 1.201 262 S CA -0.696 57.416 58.200 -0.147 0.000 1.053 262 S CB 0.826 63.967 63.200 -0.097 0.000 0.953 262 S HN 0.307 nan 8.310 nan 0.000 0.488 263 R N 4.020 124.309 120.500 -0.350 0.000 2.293 263 R HA 0.000 4.339 4.340 -0.003 0.000 0.219 263 R C 0.019 175.819 176.300 -0.833 0.000 1.091 263 R CA 1.645 57.400 56.100 -0.576 0.000 1.004 263 R CB -0.478 29.375 30.300 -0.744 0.000 0.865 263 R HN 0.847 nan 8.270 nan 0.000 0.469 264 Y N -0.374 119.703 120.300 -0.372 0.000 2.696 264 Y HA 0.182 4.730 4.550 -0.003 0.000 0.260 264 Y C 1.216 177.059 175.900 -0.094 0.000 1.165 264 Y CA -0.489 57.265 58.100 -0.575 0.000 1.189 264 Y CB 0.384 38.346 38.460 -0.831 0.000 1.180 264 Y HN 0.078 nan 8.280 nan 0.000 0.538 265 K N -0.566 119.881 120.400 0.077 0.000 2.097 265 K HA -0.153 4.166 4.320 -0.003 0.000 0.206 265 K C 0.327 177.105 176.600 0.297 0.000 1.049 265 K CA 1.918 58.328 56.287 0.204 0.000 0.933 265 K CB -0.104 32.494 32.500 0.164 0.000 0.717 265 K HN 0.153 nan 8.250 nan 0.000 0.442 266 D N -0.320 120.235 120.400 0.259 0.000 2.323 266 D HA -0.029 4.609 4.640 -0.003 0.000 0.239 266 D C 0.284 176.740 176.300 0.261 0.000 1.129 266 D CA 0.288 54.417 54.000 0.215 0.000 0.865 266 D CB -0.020 40.868 40.800 0.146 0.000 0.913 266 D HN 0.373 nan 8.370 nan 0.000 0.517 267 W N -0.067 121.229 121.300 -0.006 0.000 3.197 267 W HA 0.181 4.839 4.660 -0.003 0.000 0.274 267 W C 0.250 176.334 176.519 -0.725 0.000 1.297 267 W CA -0.244 56.897 57.345 -0.341 0.000 1.662 267 W CB -0.048 29.197 29.460 -0.357 0.000 1.106 267 W HN -0.181 nan 8.180 nan 0.000 0.663 268 F N -2.014 117.995 119.950 0.097 0.000 2.849 268 F HA 0.479 5.004 4.527 -0.003 0.000 0.341 268 F C -0.764 174.922 175.800 -0.191 0.000 1.185 268 F CA -2.081 55.960 58.000 0.068 0.000 1.007 268 F CB 0.176 39.340 39.000 0.273 0.000 1.454 268 F HN -0.531 nan 8.300 nan 0.000 0.518 269 F N 2.007 122.174 119.950 0.362 0.000 2.363 269 F HA 0.503 5.029 4.527 -0.002 0.000 0.366 269 F C -0.524 175.405 175.800 0.215 0.000 1.083 269 F CA -0.303 57.829 58.000 0.220 0.000 1.176 269 F CB 0.399 39.494 39.000 0.158 0.000 1.432 269 F HN -0.012 nan 8.300 nan 0.000 0.482 270 I N 2.358 123.069 120.570 0.235 0.000 2.315 270 I HA 0.227 4.395 4.170 -0.003 0.000 0.291 270 I C 0.906 177.025 176.117 0.002 0.000 1.006 270 I CA -0.266 61.093 61.300 0.099 0.000 1.265 270 I CB 1.441 39.381 38.000 -0.100 0.000 1.387 270 I HN 0.406 nan 8.210 nan 0.000 0.475 271 E N 3.278 123.495 120.200 0.027 0.000 2.007 271 E HA -0.089 4.259 4.350 -0.003 0.000 0.194 271 E C -0.479 176.069 176.600 -0.087 0.000 0.999 271 E CA 1.526 57.927 56.400 0.002 0.000 0.811 271 E CB 0.144 29.863 29.700 0.032 0.000 0.762 271 E HN 0.680 nan 8.360 nan 0.000 0.450 272 D N -2.953 117.341 120.400 -0.177 0.000 2.752 272 D HA 0.396 5.034 4.640 -0.003 0.000 0.313 272 D C -1.069 174.962 176.300 -0.448 0.000 1.225 272 D CA -0.651 53.215 54.000 -0.225 0.000 0.976 272 D CB 0.722 41.504 40.800 -0.030 0.000 1.443 272 D HN -0.132 nan 8.370 nan 0.000 0.515 273 F N 0.401 120.366 119.950 0.026 0.000 2.507 273 F HA 0.528 5.054 4.527 -0.002 0.000 0.327 273 F C -1.542 174.261 175.800 0.006 0.000 1.068 273 F CA -1.605 56.396 58.000 0.002 0.000 0.965 273 F CB 0.476 39.466 39.000 -0.017 0.000 1.192 273 F HN 0.066 nan 8.300 nan 0.000 0.476 274 P HA 0.039 nan 4.420 nan 0.000 0.267 274 P C 0.668 178.016 177.300 0.080 0.000 1.200 274 P CA -0.192 63.010 63.100 0.171 0.000 0.772 274 P CB 0.936 32.684 31.700 0.080 0.000 0.855 275 V N 0.024 119.982 119.914 0.074 0.000 2.944 275 V HA -0.134 3.984 4.120 -0.003 0.000 0.265 275 V C 1.423 177.396 176.094 -0.202 0.000 1.125 275 V CA 1.969 64.183 62.300 -0.144 0.000 1.145 275 V CB -1.230 30.467 31.823 -0.211 0.000 0.725 275 V HN 0.901 nan 8.190 nan 0.000 0.510 276 S N -0.918 114.752 115.700 -0.050 0.000 2.661 276 S HA 0.657 5.126 4.470 -0.003 0.000 0.268 276 S C -1.775 172.906 174.600 0.135 0.000 1.162 276 S CA -0.728 57.530 58.200 0.095 0.000 0.817 276 S CB 1.808 65.009 63.200 0.003 0.000 1.141 276 S HN 0.545 nan 8.310 nan 0.000 0.477 277 K N 0.267 120.786 120.400 0.198 0.000 2.685 277 K HA 0.329 4.647 4.320 -0.003 0.000 0.290 277 K C -1.634 175.041 176.600 0.125 0.000 1.018 277 K CA -0.869 55.494 56.287 0.126 0.000 0.860 277 K CB 0.507 33.065 32.500 0.098 0.000 1.498 277 K HN 0.516 nan 8.250 nan 0.000 0.390 278 T N 1.433 116.036 114.554 0.083 0.000 2.794 278 T HA 0.193 4.541 4.350 -0.003 0.000 0.296 278 T C 0.503 175.230 174.700 0.045 0.000 0.949 278 T CA 0.580 62.721 62.100 0.067 0.000 1.101 278 T CB 0.593 69.492 68.868 0.051 0.000 0.905 278 T HN 0.709 nan 8.240 nan 0.000 0.516 279 S N 0.660 116.383 115.700 0.038 0.000 2.829 279 S HA -0.199 4.269 4.470 -0.003 0.000 0.267 279 S C 0.561 175.160 174.600 -0.001 0.000 1.293 279 S CA 1.620 59.828 58.200 0.013 0.000 1.375 279 S CB -0.665 62.540 63.200 0.008 0.000 1.700 279 S HN 0.821 nan 8.310 nan 0.000 0.668 280 R N 2.280 122.786 120.500 0.011 0.000 2.534 280 R HA 0.580 4.918 4.340 -0.003 0.000 0.301 280 R C -0.672 175.619 176.300 -0.014 0.000 0.961 280 R CA 0.175 56.273 56.100 -0.003 0.000 0.871 280 R CB 1.220 31.530 30.300 0.015 0.000 1.170 280 R HN 0.182 nan 8.270 nan 0.000 0.446 281 T N 1.738 116.245 114.554 -0.078 0.000 2.770 281 T HA 0.330 4.678 4.350 -0.003 0.000 0.283 281 T C 0.189 174.832 174.700 -0.096 0.000 0.988 281 T CA -0.900 61.080 62.100 -0.199 0.000 0.957 281 T CB 0.904 69.564 68.868 -0.346 0.000 0.930 281 T HN 0.688 nan 8.240 nan 0.000 0.443 282 N N 1.696 120.426 118.700 0.050 0.000 2.234 282 N HA 0.116 4.854 4.740 -0.003 0.000 0.227 282 N C -0.571 175.088 175.510 0.249 0.000 1.151 282 N CA -0.601 52.529 53.050 0.134 0.000 0.865 282 N CB -0.005 38.566 38.487 0.141 0.000 1.066 282 N HN 0.891 nan 8.380 nan 0.000 0.515 283 Y N -2.436 117.891 120.300 0.046 0.000 2.571 283 Y HA 0.527 5.075 4.550 -0.002 0.000 0.341 283 Y C -0.313 175.649 175.900 0.103 0.000 1.076 283 Y CA -1.375 56.779 58.100 0.090 0.000 1.029 283 Y CB 0.954 39.494 38.460 0.134 0.000 1.308 283 Y HN -0.221 nan 8.280 nan 0.000 0.461 284 E N 1.748 122.084 120.200 0.226 0.000 2.392 284 E HA 0.350 4.698 4.350 -0.003 0.000 0.264 284 E C -0.496 176.158 176.600 0.090 0.000 1.024 284 E CA 0.458 56.912 56.400 0.090 0.000 0.903 284 E CB 0.981 30.724 29.700 0.071 0.000 0.963 284 E HN 0.841 nan 8.360 nan 0.000 0.432 285 T N 0.519 115.057 114.554 -0.027 0.000 2.812 285 T HA 0.175 4.523 4.350 -0.003 0.000 0.294 285 T C -0.705 174.001 174.700 0.010 0.000 1.159 285 T CA -0.875 61.229 62.100 0.006 0.000 1.008 285 T CB 0.347 69.155 68.868 -0.099 0.000 1.289 285 T HN 0.413 nan 8.240 nan 0.000 0.514 286 Y N 2.316 122.567 120.300 -0.081 0.000 2.712 286 Y HA 0.348 4.897 4.550 -0.003 0.000 0.333 286 Y C 1.090 176.951 175.900 -0.066 0.000 1.225 286 Y CA 0.993 59.052 58.100 -0.069 0.000 1.499 286 Y CB -0.570 37.730 38.460 -0.267 0.000 1.288 286 Y HN 1.476 nan 8.280 nan 0.000 0.575 287 A N 2.869 125.169 122.820 -0.866 0.000 5.483 287 A HA -0.264 4.055 4.320 -0.003 0.000 0.309 287 A C -0.662 176.706 177.584 -0.360 0.000 1.898 287 A CA 1.262 52.848 52.037 -0.752 0.000 0.716 287 A CB -2.057 16.300 19.000 -1.071 0.000 1.309 287 A HN 1.257 nan 8.150 nan 0.000 0.380 288 V N 1.022 120.764 119.914 -0.287 0.000 2.444 288 V HA 0.559 4.677 4.120 -0.003 0.000 0.294 288 V C 0.043 176.049 176.094 -0.147 0.000 1.022 288 V CA 0.586 62.778 62.300 -0.180 0.000 0.850 288 V CB 1.019 32.758 31.823 -0.141 0.000 0.992 288 V HN 1.031 nan 8.190 nan 0.000 0.426 289 Q N 2.623 122.337 119.800 -0.142 0.000 2.453 289 Q HA -0.141 4.197 4.340 -0.003 0.000 0.350 289 Q C -0.525 175.410 176.000 -0.109 0.000 1.447 289 Q CA 0.186 55.908 55.803 -0.135 0.000 0.968 289 Q CB -0.734 27.944 28.738 -0.099 0.000 1.175 289 Q HN 0.556 nan 8.270 nan 0.000 0.354 290 V N 1.733 121.578 119.914 -0.116 0.000 2.315 290 V HA 0.112 4.230 4.120 -0.003 0.000 0.265 290 V C -0.953 175.115 176.094 -0.044 0.000 1.019 290 V CA -0.776 61.500 62.300 -0.039 0.000 0.824 290 V CB 1.095 32.938 31.823 0.032 0.000 1.072 290 V HN 0.325 nan 8.190 nan 0.000 0.448 291 P HA -0.215 nan 4.420 nan 0.000 0.218 291 P C 1.238 178.668 177.300 0.217 0.000 1.146 291 P CA 1.771 64.931 63.100 0.100 0.000 0.820 291 P CB 0.506 32.298 31.700 0.153 0.000 0.778 292 A N -1.317 121.593 122.820 0.150 0.000 2.169 292 A HA 0.136 4.455 4.320 -0.003 0.000 0.212 292 A C 1.611 179.261 177.584 0.111 0.000 1.153 292 A CA 0.449 52.584 52.037 0.163 0.000 0.756 292 A CB -0.651 18.462 19.000 0.188 0.000 0.813 292 A HN 0.175 nan 8.150 nan 0.000 0.471 293 M N 1.651 121.287 119.600 0.061 0.000 2.746 293 M HA 0.227 4.706 4.480 -0.003 0.000 0.209 293 M C -2.868 173.463 176.300 0.052 0.000 1.077 293 M CA -1.715 53.582 55.300 -0.005 0.000 0.695 293 M CB 1.682 34.150 32.600 -0.219 0.000 1.416 293 M HN -0.027 nan 8.290 nan 0.000 0.459 294 P HA 0.072 nan 4.420 nan 0.000 0.276 294 P C -0.731 176.786 177.300 0.361 0.000 1.243 294 P CA -0.061 63.174 63.100 0.226 0.000 0.768 294 P CB 0.709 32.383 31.700 -0.044 0.000 0.856 295 K N 4.309 124.928 120.400 0.365 0.000 2.484 295 K HA 0.091 4.409 4.320 -0.003 0.000 0.280 295 K C -0.249 176.594 176.600 0.405 0.000 1.013 295 K CA -0.123 56.371 56.287 0.347 0.000 1.029 295 K CB -0.127 32.476 32.500 0.172 0.000 0.902 295 K HN 0.450 nan 8.250 nan 0.000 0.481 296 L N 4.652 125.994 121.223 0.198 0.000 2.371 296 L HA 0.246 4.585 4.340 -0.003 0.000 0.272 296 L C 0.821 177.697 176.870 0.010 0.000 1.124 296 L CA -0.344 54.462 54.840 -0.057 0.000 0.816 296 L CB 0.967 42.904 42.059 -0.202 0.000 1.129 296 L HN 0.658 nan 8.230 nan 0.000 0.448 297 R N 1.257 121.639 120.500 -0.196 0.000 3.266 297 R HA 0.049 4.387 4.340 -0.003 0.000 0.224 297 R C 1.143 177.245 176.300 -0.329 0.000 1.525 297 R CA 0.021 55.992 56.100 -0.215 0.000 1.364 297 R CB 0.149 30.119 30.300 -0.550 0.000 1.276 297 R HN 0.831 nan 8.270 nan 0.000 0.660 298 T N -1.146 113.213 114.554 -0.325 0.000 2.929 298 T HA -0.120 4.229 4.350 -0.003 0.000 0.271 298 T C 1.122 175.648 174.700 -0.290 0.000 1.085 298 T CA 1.048 62.846 62.100 -0.503 0.000 1.125 298 T CB 0.029 68.398 68.868 -0.833 0.000 0.874 298 T HN 0.556 nan 8.240 nan 0.000 0.494 299 E N 1.434 121.534 120.200 -0.168 0.000 2.274 299 E HA -0.011 4.337 4.350 -0.003 0.000 0.194 299 E C 0.966 177.488 176.600 -0.130 0.000 0.996 299 E CA 0.062 56.409 56.400 -0.088 0.000 0.840 299 E CB -0.030 29.660 29.700 -0.016 0.000 0.772 299 E HN 0.564 nan 8.360 nan 0.000 0.491 300 N N 1.723 120.292 118.700 -0.218 0.000 2.442 300 N HA -0.011 4.727 4.740 -0.003 0.000 0.265 300 N C -1.678 173.670 175.510 -0.270 0.000 1.138 300 N CA -1.318 51.587 53.050 -0.243 0.000 0.956 300 N CB 1.251 39.535 38.487 -0.339 0.000 1.067 300 N HN -0.149 nan 8.380 nan 0.000 0.474 301 P HA -0.169 nan 4.420 nan 0.000 0.217 301 P C 0.488 177.664 177.300 -0.206 0.000 1.148 301 P CA 1.474 64.473 63.100 -0.167 0.000 0.828 301 P CB 0.427 32.076 31.700 -0.086 0.000 0.783 302 E N -0.263 119.805 120.200 -0.220 0.000 2.072 302 E HA -0.071 4.277 4.350 -0.003 0.000 0.190 302 E C 2.195 178.473 176.600 -0.538 0.000 0.982 302 E CA 0.847 57.140 56.400 -0.180 0.000 0.803 302 E CB -0.450 29.321 29.700 0.118 0.000 0.755 302 E HN 0.091 nan 8.360 nan 0.000 0.453 303 V N 1.810 121.164 119.914 -0.933 0.000 2.358 303 V HA -0.261 3.858 4.120 -0.003 0.000 0.246 303 V C 2.392 178.159 176.094 -0.544 0.000 1.047 303 V CA 1.775 63.469 62.300 -1.010 0.000 1.035 303 V CB -0.460 30.797 31.823 -0.943 0.000 0.658 303 V HN 0.189 nan 8.190 nan 0.000 0.452 304 K N 0.304 120.424 120.400 -0.467 0.000 2.020 304 K HA -0.303 4.016 4.320 -0.003 0.000 0.212 304 K C 2.236 178.413 176.600 -0.705 0.000 1.050 304 K CA 2.245 58.231 56.287 -0.501 0.000 0.929 304 K CB -0.187 32.033 32.500 -0.467 0.000 0.714 304 K HN 0.414 nan 8.250 nan 0.000 0.443 305 E N -0.195 119.747 120.200 -0.430 0.000 2.153 305 E HA -0.222 4.126 4.350 -0.003 0.000 0.194 305 E C 1.782 178.337 176.600 -0.074 0.000 0.988 305 E CA 1.414 57.683 56.400 -0.218 0.000 0.811 305 E CB -0.383 29.279 29.700 -0.063 0.000 0.746 305 E HN 0.484 nan 8.360 nan 0.000 0.466 306 Y N 0.223 120.410 120.300 -0.189 0.000 2.184 306 Y HA -0.046 4.502 4.550 -0.003 0.000 0.290 306 Y C 1.928 177.743 175.900 -0.141 0.000 1.129 306 Y CA 1.681 59.732 58.100 -0.083 0.000 1.144 306 Y CB -0.159 38.276 38.460 -0.042 0.000 0.995 306 Y HN 0.033 nan 8.280 nan 0.000 0.513 307 L N -0.890 120.237 121.223 -0.159 0.000 2.083 307 L HA -0.245 4.093 4.340 -0.003 0.000 0.209 307 L C 2.360 179.171 176.870 -0.099 0.000 1.083 307 L CA 1.382 55.988 54.840 -0.390 0.000 0.752 307 L CB -0.669 41.060 42.059 -0.550 0.000 0.899 307 L HN 0.306 nan 8.230 nan 0.000 0.433 308 F N 0.042 119.904 119.950 -0.146 0.000 2.146 308 F HA -0.240 4.285 4.527 -0.003 0.000 0.298 308 F C 2.359 178.120 175.800 -0.065 0.000 1.096 308 F CA 0.388 58.351 58.000 -0.062 0.000 1.275 308 F CB -0.171 38.799 39.000 -0.049 0.000 1.008 308 F HN 0.174 nan 8.300 nan 0.000 0.480 309 D N 0.334 120.774 120.400 0.066 0.000 2.117 309 D HA -0.147 4.491 4.640 -0.003 0.000 0.197 309 D C 2.330 178.611 176.300 -0.032 0.000 0.987 309 D CA 0.988 54.976 54.000 -0.020 0.000 0.829 309 D CB -0.534 40.182 40.800 -0.140 0.000 0.961 309 D HN 0.030 nan 8.370 nan 0.000 0.460 310 V N 1.311 121.120 119.914 -0.175 0.000 2.332 310 V HA -0.267 3.851 4.120 -0.003 0.000 0.248 310 V C 2.499 178.811 176.094 0.363 0.000 1.055 310 V CA 1.847 64.132 62.300 -0.024 0.000 1.038 310 V CB -0.805 30.928 31.823 -0.149 0.000 0.651 310 V HN 0.195 nan 8.190 nan 0.000 0.450 311 A N -0.104 122.895 122.820 0.298 0.000 1.877 311 A HA -0.217 4.101 4.320 -0.003 0.000 0.216 311 A C 2.388 180.278 177.584 0.509 0.000 1.186 311 A CA 1.783 54.089 52.037 0.449 0.000 0.620 311 A CB -0.503 18.630 19.000 0.220 0.000 0.822 311 A HN 0.495 nan 8.150 nan 0.000 0.443 312 R N -1.835 118.833 120.500 0.281 0.000 2.083 312 R HA -0.159 4.179 4.340 -0.003 0.000 0.237 312 R C 2.043 178.476 176.300 0.221 0.000 1.137 312 R CA 1.657 57.880 56.100 0.205 0.000 0.951 312 R CB -0.659 29.712 30.300 0.118 0.000 0.851 312 R HN 0.615 nan 8.270 nan 0.000 0.434 313 F N 0.352 120.338 119.950 0.060 0.000 2.043 313 F HA -0.280 4.246 4.527 -0.003 0.000 0.297 313 F C 1.731 177.497 175.800 -0.057 0.000 1.121 313 F CA 1.729 59.668 58.000 -0.102 0.000 1.199 313 F CB -0.483 38.328 39.000 -0.315 0.000 0.968 313 F HN 0.015 nan 8.300 nan 0.000 0.478 314 W N -0.010 121.473 121.300 0.304 0.000 2.465 314 W HA -0.105 4.553 4.660 -0.002 0.000 0.268 314 W C 2.344 178.930 176.519 0.112 0.000 1.242 314 W CA 0.632 58.082 57.345 0.175 0.000 1.248 314 W CB -0.359 29.374 29.460 0.454 0.000 1.118 314 W HN 0.049 nan 8.180 nan 0.000 0.587 315 M N -0.322 119.521 119.600 0.405 0.000 2.419 315 M HA -0.087 4.391 4.480 -0.003 0.000 0.264 315 M C 1.380 177.755 176.300 0.124 0.000 1.082 315 M CA 1.324 56.786 55.300 0.270 0.000 1.119 315 M CB -0.319 32.477 32.600 0.327 0.000 1.398 315 M HN 0.063 nan 8.290 nan 0.000 0.453 316 E N 0.115 120.332 120.200 0.028 0.000 2.347 316 E HA -0.128 4.221 4.350 -0.003 0.000 0.196 316 E C 1.596 178.147 176.600 -0.082 0.000 1.008 316 E CA 0.541 56.907 56.400 -0.057 0.000 0.852 316 E CB 0.133 29.748 29.700 -0.143 0.000 0.783 316 E HN 0.460 nan 8.360 nan 0.000 0.505 317 Q N -0.539 119.222 119.800 -0.064 0.000 2.444 317 Q HA 0.055 4.394 4.340 -0.003 0.000 0.206 317 Q C 1.152 177.214 176.000 0.103 0.000 0.948 317 Q CA 0.782 56.603 55.803 0.031 0.000 0.946 317 Q CB 1.005 29.859 28.738 0.193 0.000 1.027 317 Q HN 0.400 nan 8.270 nan 0.000 0.513 318 G N 1.913 110.768 108.800 0.092 0.000 2.132 318 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.234 318 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.234 318 G C 0.392 175.361 174.900 0.116 0.000 0.989 318 G CA 0.296 45.452 45.100 0.094 0.000 0.676 318 G HN 0.483 nan 8.290 nan 0.000 0.522 319 I N -2.762 117.893 120.570 0.140 0.000 3.246 319 I HA 0.408 4.576 4.170 -0.003 0.000 0.280 319 I C 0.662 176.817 176.117 0.064 0.000 1.239 319 I CA 0.219 61.571 61.300 0.087 0.000 1.336 319 I CB 0.482 38.474 38.000 -0.012 0.000 1.383 319 I HN -0.077 nan 8.210 nan 0.000 0.617 320 D N 1.939 122.369 120.400 0.049 0.000 2.433 320 D HA 0.329 4.968 4.640 -0.003 0.000 0.211 320 D C 0.525 176.938 176.300 0.187 0.000 1.114 320 D CA 0.414 54.461 54.000 0.079 0.000 0.837 320 D CB 1.223 41.990 40.800 -0.055 0.000 0.984 320 D HN 0.893 nan 8.370 nan 0.000 0.505 321 G N 0.200 109.023 108.800 0.038 0.000 2.316 321 G HA2 0.307 4.265 3.960 -0.003 0.000 0.296 321 G HA3 0.307 4.265 3.960 -0.003 0.000 0.296 321 G C -2.233 172.579 174.900 -0.146 0.000 1.399 321 G CA -1.084 44.066 45.100 0.084 0.000 0.833 321 G HN -0.008 nan 8.290 nan 0.000 0.565 322 W N -0.222 121.177 121.300 0.164 0.000 2.844 322 W HA 0.804 5.462 4.660 -0.003 0.000 0.340 322 W C 0.034 176.486 176.519 -0.112 0.000 1.093 322 W CA -0.919 56.487 57.345 0.102 0.000 1.212 322 W CB 2.109 31.692 29.460 0.206 0.000 1.422 322 W HN 0.411 nan 8.180 nan 0.000 0.515 323 R N 3.388 123.935 120.500 0.078 0.000 2.320 323 R HA 0.460 4.798 4.340 -0.003 0.000 0.319 323 R C -1.219 174.940 176.300 -0.235 0.000 0.969 323 R CA -0.743 55.200 56.100 -0.262 0.000 0.857 323 R CB 0.330 30.441 30.300 -0.315 0.000 1.160 323 R HN 0.693 nan 8.270 nan 0.000 0.491 324 L N 2.931 123.865 121.223 -0.481 0.000 2.349 324 L HA 0.343 4.681 4.340 -0.003 0.000 0.275 324 L C 0.684 177.294 176.870 -0.434 0.000 1.115 324 L CA -0.163 54.355 54.840 -0.537 0.000 0.820 324 L CB 0.846 42.342 42.059 -0.938 0.000 1.135 324 L HN 0.283 nan 8.230 nan 0.000 0.445 325 D N 2.004 122.237 120.400 -0.279 0.000 2.198 325 D HA 0.214 4.853 4.640 -0.003 0.000 0.245 325 D C 0.314 176.510 176.300 -0.173 0.000 1.079 325 D CA -0.202 53.697 54.000 -0.169 0.000 0.854 325 D CB 2.082 42.880 40.800 -0.004 0.000 1.148 325 D HN 0.375 nan 8.370 nan 0.000 0.456 326 V N 2.793 122.605 119.914 -0.171 0.000 5.175 326 V HA -0.326 3.793 4.120 -0.003 0.000 0.279 326 V C 1.643 177.687 176.094 -0.084 0.000 0.571 326 V CA 1.066 63.308 62.300 -0.097 0.000 0.694 326 V CB -2.184 29.657 31.823 0.030 0.000 0.525 326 V HN 0.741 nan 8.190 nan 0.000 1.093 327 A N 1.186 123.891 122.820 -0.192 0.000 1.969 327 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 327 A C 1.866 179.491 177.584 0.069 0.000 1.169 327 A CA 1.677 53.708 52.037 -0.010 0.000 0.635 327 A CB -0.609 18.067 19.000 -0.539 0.000 0.810 327 A HN 1.114 nan 8.150 nan 0.000 0.445 328 N N -0.683 117.853 118.700 -0.273 0.000 2.651 328 N HA -0.144 4.594 4.740 -0.003 0.000 0.193 328 N C 0.770 176.345 175.510 0.108 0.000 1.149 328 N CA 1.055 53.889 53.050 -0.360 0.000 0.933 328 N CB -0.160 38.032 38.487 -0.491 0.000 0.974 328 N HN 0.623 nan 8.380 nan 0.000 0.448 329 E N 0.200 120.474 120.200 0.124 0.000 2.548 329 E HA 0.163 4.512 4.350 -0.003 0.000 0.206 329 E C -0.788 175.868 176.600 0.094 0.000 1.005 329 E CA -0.290 56.188 56.400 0.129 0.000 0.951 329 E CB 1.075 30.832 29.700 0.095 0.000 1.035 329 E HN 0.137 nan 8.360 nan 0.000 0.470 330 V N 2.847 122.850 119.914 0.147 0.000 2.547 330 V HA 0.058 4.176 4.120 -0.003 0.000 0.299 330 V C 0.153 176.238 176.094 -0.016 0.000 1.040 330 V CA -1.097 61.154 62.300 -0.082 0.000 0.913 330 V CB 1.702 33.282 31.823 -0.406 0.000 0.992 330 V HN 0.221 nan 8.190 nan 0.000 0.449 331 D N 2.006 122.356 120.400 -0.083 0.000 2.419 331 D HA -0.054 4.584 4.640 -0.003 0.000 0.236 331 D C 0.614 176.976 176.300 0.104 0.000 1.165 331 D CA 0.051 54.084 54.000 0.056 0.000 0.882 331 D CB 0.973 41.810 40.800 0.063 0.000 1.201 331 D HN 0.609 nan 8.370 nan 0.000 0.443 332 H N 1.112 120.314 119.070 0.219 0.000 2.389 332 H HA 0.005 4.559 4.556 -0.003 0.000 0.299 332 H C 2.147 177.592 175.328 0.195 0.000 1.081 332 H CA 2.026 58.221 56.048 0.245 0.000 1.345 332 H CB -0.129 29.675 29.762 0.069 0.000 1.393 332 H HN 0.648 nan 8.280 nan 0.000 0.520 333 A N 0.481 123.447 122.820 0.243 0.000 1.948 333 A HA -0.235 4.083 4.320 -0.003 0.000 0.220 333 A C 2.149 179.836 177.584 0.173 0.000 1.177 333 A CA 1.665 53.802 52.037 0.166 0.000 0.636 333 A CB -1.015 18.054 19.000 0.115 0.000 0.815 333 A HN 0.503 nan 8.150 nan 0.000 0.449 334 F N -1.145 118.804 119.950 -0.003 0.000 2.113 334 F HA -0.148 4.378 4.527 -0.003 0.000 0.297 334 F C 2.063 177.941 175.800 0.130 0.000 1.103 334 F CA 1.729 59.683 58.000 -0.077 0.000 1.248 334 F CB -0.346 38.395 39.000 -0.430 0.000 0.999 334 F HN 0.410 nan 8.300 nan 0.000 0.475 335 W N 0.286 121.768 121.300 0.303 0.000 2.402 335 W HA -0.048 4.610 4.660 -0.003 0.000 0.286 335 W C 2.651 179.265 176.519 0.158 0.000 1.221 335 W CA 0.383 57.884 57.345 0.261 0.000 1.257 335 W CB -0.324 29.301 29.460 0.275 0.000 1.120 335 W HN -0.173 nan 8.180 nan 0.000 0.551 336 R N 0.593 121.293 120.500 0.333 0.000 2.081 336 R HA -0.167 4.171 4.340 -0.003 0.000 0.235 336 R C 1.816 178.188 176.300 0.121 0.000 1.131 336 R CA 1.741 57.947 56.100 0.177 0.000 0.960 336 R CB -0.284 30.090 30.300 0.123 0.000 0.856 336 R HN 0.184 nan 8.270 nan 0.000 0.436 337 E N -0.610 119.662 120.200 0.120 0.000 2.152 337 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 337 E C 1.445 177.987 176.600 -0.097 0.000 0.983 337 E CA 0.688 57.137 56.400 0.081 0.000 0.818 337 E CB -0.066 29.765 29.700 0.219 0.000 0.758 337 E HN 0.194 nan 8.360 nan 0.000 0.467 338 F N 1.413 121.209 119.950 -0.257 0.000 2.102 338 F HA -0.156 4.369 4.527 -0.003 0.000 0.298 338 F C 2.301 177.964 175.800 -0.228 0.000 1.105 338 F CA 1.631 59.363 58.000 -0.447 0.000 1.239 338 F CB -0.054 38.925 39.000 -0.034 0.000 0.991 338 F HN -0.172 nan 8.300 nan 0.000 0.474 339 R N 0.252 120.771 120.500 0.032 0.000 2.080 339 R HA -0.201 4.137 4.340 -0.003 0.000 0.236 339 R C 2.568 178.773 176.300 -0.158 0.000 1.137 339 R CA 1.790 57.857 56.100 -0.055 0.000 0.943 339 R CB -0.444 29.893 30.300 0.063 0.000 0.846 339 R HN 0.229 nan 8.270 nan 0.000 0.431 340 R N 0.164 120.587 120.500 -0.128 0.000 2.117 340 R HA -0.192 4.146 4.340 -0.003 0.000 0.243 340 R C 2.311 178.501 176.300 -0.184 0.000 1.143 340 R CA 1.713 57.739 56.100 -0.123 0.000 0.968 340 R CB -0.358 29.893 30.300 -0.082 0.000 0.863 340 R HN 0.223 nan 8.270 nan 0.000 0.444 341 L N 0.172 121.198 121.223 -0.328 0.000 1.973 341 L HA -0.126 4.212 4.340 -0.003 0.000 0.208 341 L C 2.085 178.782 176.870 -0.289 0.000 1.073 341 L CA 1.626 56.248 54.840 -0.364 0.000 0.746 341 L CB -0.812 40.847 42.059 -0.667 0.000 0.891 341 L HN -0.078 nan 8.230 nan 0.000 0.433 342 V N 0.522 120.184 119.914 -0.419 0.000 2.250 342 V HA -0.340 3.778 4.120 -0.003 0.000 0.250 342 V C 2.791 178.827 176.094 -0.096 0.000 1.060 342 V CA 2.148 64.289 62.300 -0.265 0.000 1.030 342 V CB -0.891 30.683 31.823 -0.415 0.000 0.643 342 V HN 0.460 nan 8.190 nan 0.000 0.445 343 K N 0.643 120.982 120.400 -0.102 0.000 2.097 343 K HA -0.113 4.205 4.320 -0.003 0.000 0.206 343 K C 2.467 179.054 176.600 -0.022 0.000 1.049 343 K CA 1.719 57.986 56.287 -0.032 0.000 0.933 343 K CB -0.690 31.790 32.500 -0.033 0.000 0.717 343 K HN 0.705 nan 8.250 nan 0.000 0.442 344 S N 0.991 116.662 115.700 -0.048 0.000 2.402 344 S HA -0.044 4.424 4.470 -0.003 0.000 0.229 344 S C 2.180 176.771 174.600 -0.014 0.000 1.021 344 S CA 0.622 58.804 58.200 -0.030 0.000 0.974 344 S CB -0.464 62.709 63.200 -0.043 0.000 0.800 344 S HN 0.174 nan 8.310 nan 0.000 0.484 345 L N 0.881 122.093 121.223 -0.018 0.000 2.109 345 L HA 0.163 4.501 4.340 -0.003 0.000 0.207 345 L C 0.732 177.621 176.870 0.031 0.000 1.086 345 L CA 0.891 55.736 54.840 0.009 0.000 0.760 345 L CB -0.321 41.750 42.059 0.019 0.000 0.910 345 L HN 0.411 nan 8.230 nan 0.000 0.437 346 N N -1.047 117.677 118.700 0.040 0.000 2.747 346 N HA 0.108 4.846 4.740 -0.003 0.000 0.262 346 N C -2.174 173.380 175.510 0.073 0.000 1.261 346 N CA -1.380 51.707 53.050 0.061 0.000 0.809 346 N CB 1.177 39.715 38.487 0.085 0.000 1.450 346 N HN -0.277 nan 8.380 nan 0.000 0.560 347 P HA -0.076 nan 4.420 nan 0.000 0.222 347 P C -0.205 177.158 177.300 0.105 0.000 1.142 347 P CA 1.108 64.247 63.100 0.065 0.000 0.788 347 P CB 0.472 32.203 31.700 0.051 0.000 0.767 348 D N -0.619 119.873 120.400 0.153 0.000 2.349 348 D HA 0.184 4.822 4.640 -0.003 0.000 0.214 348 D C 0.855 177.384 176.300 0.382 0.000 1.063 348 D CA -0.002 54.165 54.000 0.277 0.000 0.847 348 D CB -0.230 40.765 40.800 0.326 0.000 0.933 348 D HN 0.126 nan 8.370 nan 0.000 0.513 349 A N 0.709 123.680 122.820 0.252 0.000 2.440 349 A HA 0.327 4.645 4.320 -0.003 0.000 0.251 349 A C -0.037 177.700 177.584 0.256 0.000 1.089 349 A CA -0.279 51.922 52.037 0.272 0.000 0.779 349 A CB 0.235 19.364 19.000 0.216 0.000 1.022 349 A HN 0.199 nan 8.150 nan 0.000 0.492 350 L N 2.604 124.009 121.223 0.302 0.000 2.357 350 L HA 0.632 4.970 4.340 -0.003 0.000 0.273 350 L C -0.436 176.542 176.870 0.181 0.000 1.080 350 L CA 0.002 54.956 54.840 0.189 0.000 0.803 350 L CB 0.989 43.179 42.059 0.218 0.000 1.174 350 L HN 0.581 nan 8.230 nan 0.000 0.443 351 I N 5.409 126.027 120.570 0.079 0.000 2.521 351 I HA 0.298 4.466 4.170 -0.003 0.000 0.277 351 I C -1.154 174.832 176.117 -0.218 0.000 1.054 351 I CA -0.534 60.790 61.300 0.041 0.000 1.117 351 I CB 1.515 39.601 38.000 0.144 0.000 1.217 351 I HN 0.196 nan 8.210 nan 0.000 0.469 352 V N 4.834 124.484 119.914 -0.441 0.000 2.370 352 V HA 0.657 4.776 4.120 -0.003 0.000 0.283 352 V C 0.724 176.273 176.094 -0.908 0.000 1.023 352 V CA -0.494 61.349 62.300 -0.762 0.000 0.857 352 V CB 1.393 32.427 31.823 -1.315 0.000 0.985 352 V HN 0.756 nan 8.190 nan 0.000 0.443 353 G N 2.662 110.869 108.800 -0.990 0.000 2.491 353 G HA2 0.616 4.574 3.960 -0.003 0.000 0.327 353 G HA3 0.616 4.574 3.960 -0.003 0.000 0.327 353 G C -0.871 173.552 174.900 -0.795 0.000 1.189 353 G CA -0.386 44.017 45.100 -1.161 0.000 0.956 353 G HN 0.663 nan 8.290 nan 0.000 0.491 354 E N 0.190 119.934 120.200 -0.760 0.000 2.235 354 E HA 0.474 4.822 4.350 -0.003 0.000 0.252 354 E C -1.177 174.911 176.600 -0.853 0.000 0.886 354 E CA -0.366 55.563 56.400 -0.785 0.000 0.767 354 E CB 0.956 30.256 29.700 -0.666 0.000 1.205 354 E HN 0.338 nan 8.360 nan 0.000 0.421 355 I N 3.608 123.684 120.570 -0.824 0.000 2.571 355 I HA 0.227 4.396 4.170 -0.003 0.000 0.289 355 I C -0.452 175.466 176.117 -0.332 0.000 1.115 355 I CA -0.690 60.245 61.300 -0.609 0.000 1.045 355 I CB 1.533 39.191 38.000 -0.569 0.000 1.238 355 I HN 0.617 nan 8.210 nan 0.000 0.424 356 W N 5.769 127.111 121.300 0.070 0.000 3.387 356 W HA 0.173 4.831 4.660 -0.002 0.000 0.403 356 W C 0.662 177.119 176.519 -0.103 0.000 1.073 356 W CA -0.331 56.886 57.345 -0.213 0.000 1.866 356 W CB -0.163 29.120 29.460 -0.295 0.000 0.981 356 W HN 0.540 nan 8.180 nan 0.000 0.802 357 H N -2.546 116.723 119.070 0.331 0.000 2.918 357 H HA 0.092 4.646 4.556 -0.003 0.000 0.303 357 H C -0.843 174.793 175.328 0.513 0.000 1.380 357 H CA -1.323 54.983 56.048 0.430 0.000 1.134 357 H CB 0.262 30.185 29.762 0.268 0.000 1.842 357 H HN -0.254 nan 8.280 nan 0.000 0.533 358 D N 0.554 121.210 120.400 0.426 0.000 2.536 358 D HA 0.059 4.698 4.640 -0.003 0.000 0.260 358 D C 0.548 177.019 176.300 0.286 0.000 1.270 358 D CA 0.609 54.828 54.000 0.365 0.000 0.934 358 D CB 0.095 41.081 40.800 0.311 0.000 1.129 358 D HN 0.623 nan 8.370 nan 0.000 0.533 359 A N 3.271 126.302 122.820 0.352 0.000 2.462 359 A HA 0.063 4.381 4.320 -0.003 0.000 0.261 359 A C 1.962 179.731 177.584 0.308 0.000 1.323 359 A CA 0.371 52.631 52.037 0.371 0.000 0.913 359 A CB -0.302 18.752 19.000 0.091 0.000 1.028 359 A HN 0.570 nan 8.150 nan 0.000 0.511 360 S N -0.433 115.476 115.700 0.348 0.000 2.392 360 S HA -0.173 4.296 4.470 -0.003 0.000 0.232 360 S C 1.922 176.559 174.600 0.062 0.000 1.041 360 S CA 1.641 60.004 58.200 0.272 0.000 1.026 360 S CB -1.020 62.376 63.200 0.326 0.000 0.845 360 S HN 0.745 nan 8.310 nan 0.000 0.465 361 G N -0.403 108.332 108.800 -0.109 0.000 2.498 361 G HA2 -0.092 3.866 3.960 -0.003 0.000 0.219 361 G HA3 -0.092 3.866 3.960 -0.003 0.000 0.219 361 G C 0.998 175.638 174.900 -0.433 0.000 1.119 361 G CA 0.490 45.350 45.100 -0.400 0.000 0.766 361 G HN 0.644 nan 8.290 nan 0.000 0.552 362 W N -0.540 120.714 121.300 -0.077 0.000 3.103 362 W HA 0.429 5.087 4.660 -0.003 0.000 0.325 362 W C 0.543 176.857 176.519 -0.343 0.000 1.170 362 W CA -0.287 56.863 57.345 -0.325 0.000 1.712 362 W CB 0.303 29.433 29.460 -0.550 0.000 1.068 362 W HN 0.046 nan 8.180 nan 0.000 0.592 363 L N 0.665 121.891 121.223 0.006 0.000 3.141 363 L HA 0.183 4.521 4.340 -0.003 0.000 0.263 363 L C 1.396 178.388 176.870 0.204 0.000 1.312 363 L CA -0.164 54.717 54.840 0.067 0.000 1.012 363 L CB 0.050 42.055 42.059 -0.090 0.000 1.408 363 L HN -0.233 nan 8.230 nan 0.000 0.559 364 M N -0.394 119.208 119.600 0.002 0.000 2.510 364 M HA 0.267 4.745 4.480 -0.003 0.000 0.256 364 M C 1.537 177.670 176.300 -0.278 0.000 1.132 364 M CA 0.920 56.221 55.300 0.001 0.000 1.105 364 M CB 0.445 33.015 32.600 -0.050 0.000 1.375 364 M HN 0.345 nan 8.290 nan 0.000 0.477 365 G N -0.356 107.930 108.800 -0.857 0.000 2.336 365 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.194 365 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.194 365 G C 0.350 174.860 174.900 -0.649 0.000 0.999 365 G CA 0.333 44.561 45.100 -1.453 0.000 0.669 365 G HN 0.530 nan 8.290 nan 0.000 0.482 366 D N -0.077 120.108 120.400 -0.357 0.000 2.368 366 D HA 0.366 5.005 4.640 -0.003 0.000 0.218 366 D C 1.351 177.581 176.300 -0.117 0.000 1.112 366 D CA 0.645 54.533 54.000 -0.185 0.000 0.834 366 D CB 0.272 41.010 40.800 -0.103 0.000 0.953 366 D HN 0.544 nan 8.370 nan 0.000 0.505 367 Q N -1.029 118.666 119.800 -0.174 0.000 1.749 367 Q HA 0.284 4.622 4.340 -0.003 0.000 0.148 367 Q C -0.463 175.548 176.000 0.019 0.000 0.429 367 Q CA -0.495 55.244 55.803 -0.106 0.000 0.698 367 Q CB 0.506 29.064 28.738 -0.300 0.000 0.863 367 Q HN 0.055 nan 8.270 nan 0.000 0.272 368 F N 1.595 121.493 119.950 -0.086 0.000 2.380 368 F HA 0.234 4.760 4.527 -0.003 0.000 0.321 368 F C 1.074 176.834 175.800 -0.066 0.000 1.103 368 F CA -0.948 56.971 58.000 -0.135 0.000 1.067 368 F CB 0.238 39.091 39.000 -0.246 0.000 1.265 368 F HN 0.192 nan 8.300 nan 0.000 0.517 369 D N -0.673 119.826 120.400 0.165 0.000 2.301 369 D HA 0.050 4.689 4.640 -0.003 0.000 0.206 369 D C 0.444 176.806 176.300 0.103 0.000 0.979 369 D CA 1.013 55.118 54.000 0.176 0.000 0.874 369 D CB 0.494 41.330 40.800 0.060 0.000 0.968 369 D HN 0.466 nan 8.370 nan 0.000 0.510 370 S N -0.976 114.702 115.700 -0.037 0.000 2.669 370 S HA 0.502 4.970 4.470 -0.003 0.000 0.266 370 S C -0.957 173.468 174.600 -0.293 0.000 1.149 370 S CA -0.758 57.348 58.200 -0.157 0.000 0.842 370 S CB 1.665 64.748 63.200 -0.195 0.000 1.160 370 S HN 0.004 nan 8.310 nan 0.000 0.487 371 V N -2.254 117.472 119.914 -0.313 0.000 3.181 371 V HA 0.726 4.845 4.120 -0.003 0.000 0.308 371 V C -0.648 175.291 176.094 -0.260 0.000 1.214 371 V CA -1.392 60.692 62.300 -0.361 0.000 1.053 371 V CB 1.680 33.345 31.823 -0.264 0.000 1.069 371 V HN 0.964 nan 8.190 nan 0.000 0.441 372 M N 3.178 122.646 119.600 -0.220 0.000 2.238 372 M HA 0.275 4.753 4.480 -0.003 0.000 0.350 372 M C 0.220 176.636 176.300 0.193 0.000 1.321 372 M CA 0.292 55.623 55.300 0.051 0.000 1.097 372 M CB -0.547 32.141 32.600 0.146 0.000 1.713 372 M HN 0.900 nan 8.290 nan 0.000 0.455 373 N N 3.672 122.505 118.700 0.222 0.000 2.968 373 N HA -0.004 4.734 4.740 -0.003 0.000 0.271 373 N C 0.557 176.253 175.510 0.310 0.000 1.174 373 N CA -0.116 53.052 53.050 0.197 0.000 1.096 373 N CB -0.203 38.372 38.487 0.147 0.000 1.403 373 N HN 0.508 nan 8.380 nan 0.000 0.522 374 Y N 0.882 121.431 120.300 0.414 0.000 2.333 374 Y HA -0.003 4.545 4.550 -0.003 0.000 0.290 374 Y C 1.390 177.456 175.900 0.278 0.000 1.144 374 Y CA 0.753 59.083 58.100 0.384 0.000 1.228 374 Y CB -0.326 38.417 38.460 0.471 0.000 0.985 374 Y HN 0.268 nan 8.280 nan 0.000 0.542 375 L N -0.818 120.256 121.223 -0.248 0.000 2.141 375 L HA -0.111 4.227 4.340 -0.003 0.000 0.209 375 L C 2.416 179.338 176.870 0.087 0.000 1.094 375 L CA 1.465 56.244 54.840 -0.102 0.000 0.763 375 L CB -0.586 41.331 42.059 -0.237 0.000 0.908 375 L HN 0.371 nan 8.230 nan 0.000 0.437 376 F N 0.954 120.922 119.950 0.030 0.000 2.113 376 F HA -0.225 4.301 4.527 -0.002 0.000 0.297 376 F C 2.792 178.681 175.800 0.149 0.000 1.103 376 F CA 1.562 59.617 58.000 0.092 0.000 1.248 376 F CB -0.204 38.879 39.000 0.137 0.000 0.999 376 F HN -0.144 nan 8.300 nan 0.000 0.475 377 R N 0.527 121.156 120.500 0.215 0.000 2.083 377 R HA -0.205 4.133 4.340 -0.003 0.000 0.237 377 R C 2.218 178.559 176.300 0.068 0.000 1.137 377 R CA 2.215 58.382 56.100 0.111 0.000 0.951 377 R CB -0.509 29.944 30.300 0.256 0.000 0.851 377 R HN 0.425 nan 8.270 nan 0.000 0.434 378 E N -0.324 119.942 120.200 0.109 0.000 2.085 378 E HA -0.164 4.185 4.350 -0.003 0.000 0.194 378 E C 2.008 178.631 176.600 0.039 0.000 0.994 378 E CA 1.761 58.214 56.400 0.089 0.000 0.801 378 E CB 0.051 29.822 29.700 0.117 0.000 0.743 378 E HN 0.322 nan 8.360 nan 0.000 0.453 379 S N 0.126 115.815 115.700 -0.019 0.000 2.383 379 S HA -0.136 4.333 4.470 -0.003 0.000 0.227 379 S C 2.274 176.897 174.600 0.039 0.000 1.026 379 S CA 1.229 59.414 58.200 -0.025 0.000 0.981 379 S CB -0.104 63.002 63.200 -0.158 0.000 0.818 379 S HN 0.317 nan 8.310 nan 0.000 0.472 380 V N -0.094 119.804 119.914 -0.027 0.000 2.591 380 V HA 0.060 4.179 4.120 -0.003 0.000 0.249 380 V C 1.850 178.189 176.094 0.408 0.000 1.053 380 V CA 1.052 63.455 62.300 0.171 0.000 1.068 380 V CB -0.832 30.993 31.823 0.003 0.000 0.689 380 V HN 0.398 nan 8.190 nan 0.000 0.462 381 I N 0.312 121.078 120.570 0.327 0.000 2.202 381 I HA -0.129 4.039 4.170 -0.003 0.000 0.242 381 I C 3.047 179.209 176.117 0.074 0.000 1.091 381 I CA 1.686 63.144 61.300 0.263 0.000 1.368 381 I CB -0.305 37.815 38.000 0.201 0.000 1.058 381 I HN 0.192 nan 8.210 nan 0.000 0.410 382 R N -0.389 120.139 120.500 0.046 0.000 2.189 382 R HA -0.143 4.195 4.340 -0.003 0.000 0.223 382 R C 2.091 178.377 176.300 -0.024 0.000 1.092 382 R CA 1.205 57.304 56.100 -0.003 0.000 0.989 382 R CB -0.157 30.140 30.300 -0.005 0.000 0.876 382 R HN 0.277 nan 8.270 nan 0.000 0.457 383 F N -0.432 119.327 119.950 -0.317 0.000 2.274 383 F HA 0.108 4.633 4.527 -0.003 0.000 0.288 383 F C 1.353 176.810 175.800 -0.572 0.000 1.069 383 F CA 0.855 58.483 58.000 -0.620 0.000 1.343 383 F CB -0.028 38.202 39.000 -1.283 0.000 1.089 383 F HN -0.191 nan 8.300 nan 0.000 0.517 384 F N -0.437 119.389 119.950 -0.206 0.000 2.317 384 F HA 0.189 4.714 4.527 -0.003 0.000 0.290 384 F C 2.386 178.041 175.800 -0.242 0.000 1.075 384 F CA 0.741 58.581 58.000 -0.266 0.000 1.380 384 F CB -0.780 38.206 39.000 -0.022 0.000 1.093 384 F HN 0.014 nan 8.300 nan 0.000 0.524 385 A N 0.096 122.883 122.820 -0.054 0.000 1.862 385 A HA -0.071 4.248 4.320 -0.003 0.000 0.211 385 A C 2.158 179.651 177.584 -0.152 0.000 1.220 385 A CA 1.746 53.653 52.037 -0.215 0.000 0.616 385 A CB -1.275 17.461 19.000 -0.440 0.000 0.878 385 A HN 0.317 nan 8.150 nan 0.000 0.453 386 T N -4.241 110.244 114.554 -0.116 0.000 3.035 386 T HA 0.357 4.706 4.350 -0.003 0.000 0.259 386 T C 1.465 176.121 174.700 -0.073 0.000 1.078 386 T CA 1.304 63.353 62.100 -0.085 0.000 1.132 386 T CB -0.154 68.676 68.868 -0.064 0.000 0.900 386 T HN 1.810 nan 8.240 nan 0.000 0.480 387 G N 1.377 110.124 108.800 -0.090 0.000 2.160 387 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.251 387 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.251 387 G C 0.511 175.386 174.900 -0.042 0.000 1.008 387 G CA 0.546 45.596 45.100 -0.084 0.000 0.724 387 G HN 0.591 nan 8.290 nan 0.000 0.514 388 E N -0.621 119.556 120.200 -0.039 0.000 2.153 388 E HA 0.040 4.389 4.350 -0.003 0.000 0.194 388 E C 1.635 178.216 176.600 -0.033 0.000 0.988 388 E CA 1.234 57.617 56.400 -0.028 0.000 0.811 388 E CB 0.026 29.709 29.700 -0.028 0.000 0.746 388 E HN 0.927 nan 8.360 nan 0.000 0.466 389 I N -1.445 119.101 120.570 -0.041 0.000 2.740 389 I HA 0.390 4.559 4.170 -0.003 0.000 0.303 389 I C -0.162 175.942 176.117 -0.022 0.000 1.044 389 I CA -1.298 59.937 61.300 -0.110 0.000 1.064 389 I CB 1.545 39.457 38.000 -0.145 0.000 1.249 389 I HN -0.130 nan 8.210 nan 0.000 0.433 390 H N 3.443 122.567 119.070 0.091 0.000 2.580 390 H HA 0.716 5.271 4.556 -0.003 0.000 0.324 390 H C 1.088 176.536 175.328 0.200 0.000 1.436 390 H CA -0.333 55.806 56.048 0.150 0.000 1.464 390 H CB 0.483 30.295 29.762 0.083 0.000 1.752 390 H HN 0.702 nan 8.280 nan 0.000 0.726 391 A N -0.116 123.016 122.820 0.520 0.000 1.978 391 A HA -0.220 4.098 4.320 -0.003 0.000 0.220 391 A C 1.975 179.657 177.584 0.163 0.000 1.170 391 A CA 1.932 54.156 52.037 0.312 0.000 0.636 391 A CB -0.955 18.297 19.000 0.419 0.000 0.810 391 A HN 0.853 nan 8.150 nan 0.000 0.448 392 E N -1.199 119.236 120.200 0.391 0.000 2.107 392 E HA -0.169 4.179 4.350 -0.003 0.000 0.191 392 E C 2.278 178.897 176.600 0.032 0.000 0.982 392 E CA 1.079 57.623 56.400 0.241 0.000 0.809 392 E CB -0.079 29.815 29.700 0.322 0.000 0.756 392 E HN 0.534 nan 8.360 nan 0.000 0.459 393 R N 0.881 121.285 120.500 -0.160 0.000 2.073 393 R HA -0.113 4.225 4.340 -0.003 0.000 0.229 393 R C 1.920 178.073 176.300 -0.244 0.000 1.120 393 R CA 1.154 57.103 56.100 -0.252 0.000 0.967 393 R CB -0.824 29.219 30.300 -0.428 0.000 0.862 393 R HN 0.188 nan 8.270 nan 0.000 0.436 394 F N 1.102 120.716 119.950 -0.560 0.000 2.095 394 F HA -0.269 4.257 4.527 -0.003 0.000 0.298 394 F C 1.979 177.345 175.800 -0.724 0.000 1.104 394 F CA 2.074 59.573 58.000 -0.835 0.000 1.232 394 F CB -0.396 37.615 39.000 -1.650 0.000 0.987 394 F HN 0.198 nan 8.300 nan 0.000 0.475 395 D N 0.610 120.644 120.400 -0.611 0.000 2.116 395 D HA -0.243 4.395 4.640 -0.003 0.000 0.193 395 D C 2.211 178.331 176.300 -0.301 0.000 0.998 395 D CA 1.703 55.401 54.000 -0.503 0.000 0.836 395 D CB -0.502 40.255 40.800 -0.071 0.000 0.951 395 D HN 0.391 nan 8.370 nan 0.000 0.449 396 A N 0.782 123.486 122.820 -0.193 0.000 1.845 396 A HA -0.191 4.127 4.320 -0.003 0.000 0.215 396 A C 2.180 179.679 177.584 -0.141 0.000 1.195 396 A CA 1.858 53.832 52.037 -0.105 0.000 0.616 396 A CB -0.781 18.185 19.000 -0.056 0.000 0.832 396 A HN 0.359 nan 8.150 nan 0.000 0.443 397 E N -0.698 119.384 120.200 -0.196 0.000 2.114 397 E HA -0.242 4.106 4.350 -0.003 0.000 0.199 397 E C 1.923 178.392 176.600 -0.219 0.000 1.008 397 E CA 1.356 57.650 56.400 -0.177 0.000 0.810 397 E CB -0.336 29.253 29.700 -0.186 0.000 0.739 397 E HN 0.410 nan 8.360 nan 0.000 0.456 398 L N 0.708 121.700 121.223 -0.384 0.000 1.994 398 L HA -0.164 4.175 4.340 -0.003 0.000 0.208 398 L C 2.476 179.260 176.870 -0.144 0.000 1.071 398 L CA 1.880 56.517 54.840 -0.338 0.000 0.745 398 L CB -0.931 40.740 42.059 -0.647 0.000 0.892 398 L HN 0.096 nan 8.230 nan 0.000 0.431 399 T N -1.086 113.383 114.554 -0.142 0.000 2.652 399 T HA -0.263 4.086 4.350 -0.003 0.000 0.267 399 T C 2.009 176.619 174.700 -0.151 0.000 1.039 399 T CA 1.666 63.705 62.100 -0.101 0.000 1.153 399 T CB -0.238 68.608 68.868 -0.036 0.000 0.863 399 T HN 0.243 nan 8.240 nan 0.000 0.428 400 R N 1.106 121.563 120.500 -0.071 0.000 2.080 400 R HA -0.106 4.232 4.340 -0.003 0.000 0.236 400 R C 2.577 178.806 176.300 -0.119 0.000 1.137 400 R CA 1.692 57.775 56.100 -0.028 0.000 0.943 400 R CB -0.567 29.770 30.300 0.061 0.000 0.846 400 R HN 0.369 nan 8.270 nan 0.000 0.431 401 A N 1.125 123.875 122.820 -0.118 0.000 1.933 401 A HA -0.207 4.111 4.320 -0.003 0.000 0.218 401 A C 2.191 179.649 177.584 -0.210 0.000 1.175 401 A CA 1.597 53.540 52.037 -0.157 0.000 0.628 401 A CB -0.651 18.288 19.000 -0.101 0.000 0.814 401 A HN 0.518 nan 8.150 nan 0.000 0.444 402 R N -0.847 119.556 120.500 -0.162 0.000 2.105 402 R HA -0.107 4.231 4.340 -0.003 0.000 0.239 402 R C 1.439 177.583 176.300 -0.260 0.000 1.135 402 R CA 1.945 57.940 56.100 -0.177 0.000 0.967 402 R CB -0.257 29.954 30.300 -0.148 0.000 0.861 402 R HN 0.404 nan 8.270 nan 0.000 0.442 403 M N 0.404 119.795 119.600 -0.348 0.000 2.561 403 M HA 0.010 4.489 4.480 -0.003 0.000 0.238 403 M C 1.219 177.350 176.300 -0.283 0.000 1.131 403 M CA 0.297 55.352 55.300 -0.407 0.000 1.046 403 M CB 0.023 32.136 32.600 -0.812 0.000 1.532 403 M HN 0.176 nan 8.290 nan 0.000 0.497 404 L N -0.725 120.275 121.223 -0.371 0.000 2.056 404 L HA -0.046 4.292 4.340 -0.003 0.000 0.207 404 L C 0.489 177.108 176.870 -0.418 0.000 1.078 404 L CA 1.560 56.100 54.840 -0.500 0.000 0.749 404 L CB -0.462 41.004 42.059 -0.989 0.000 0.901 404 L HN 0.179 nan 8.230 nan 0.000 0.433 405 Y N -2.606 117.696 120.300 0.003 0.000 2.659 405 Y HA 0.502 5.050 4.550 -0.003 0.000 0.333 405 Y C -2.087 173.767 175.900 -0.077 0.000 1.064 405 Y CA -3.139 54.959 58.100 -0.003 0.000 1.141 405 Y CB -0.120 38.326 38.460 -0.024 0.000 1.316 405 Y HN -0.280 nan 8.280 nan 0.000 0.509 406 P HA 0.004 nan 4.420 nan 0.000 0.269 406 P C 0.382 177.446 177.300 -0.393 0.000 1.215 406 P CA 0.005 62.847 63.100 -0.430 0.000 0.780 406 P CB 0.624 31.770 31.700 -0.924 0.000 0.898 407 E N 1.680 121.705 120.200 -0.292 0.000 2.147 407 E HA -0.329 4.019 4.350 -0.003 0.000 0.199 407 E C 1.045 177.437 176.600 -0.348 0.000 1.005 407 E CA 1.505 57.778 56.400 -0.211 0.000 0.810 407 E CB -0.625 29.040 29.700 -0.059 0.000 0.736 407 E HN 0.443 nan 8.360 nan 0.000 0.460 408 Q N 0.745 120.208 119.800 -0.562 0.000 2.226 408 Q HA -0.040 4.298 4.340 -0.003 0.000 0.204 408 Q C 2.055 177.624 176.000 -0.719 0.000 0.975 408 Q CA 1.857 57.263 55.803 -0.662 0.000 0.866 408 Q CB -0.118 28.070 28.738 -0.918 0.000 0.915 408 Q HN 0.496 nan 8.270 nan 0.000 0.440 409 A N 0.454 122.823 122.820 -0.750 0.000 1.871 409 A HA 0.185 4.503 4.320 -0.003 0.000 0.211 409 A C 2.258 179.719 177.584 -0.205 0.000 1.207 409 A CA 0.940 52.715 52.037 -0.437 0.000 0.620 409 A CB -0.935 17.885 19.000 -0.299 0.000 0.860 409 A HN 0.334 nan 8.150 nan 0.000 0.450 410 A N -0.719 122.012 122.820 -0.149 0.000 1.917 410 A HA -0.279 4.040 4.320 -0.003 0.000 0.219 410 A C 2.187 179.675 177.584 -0.160 0.000 1.182 410 A CA 1.968 53.950 52.037 -0.092 0.000 0.633 410 A CB -0.634 18.296 19.000 -0.117 0.000 0.819 410 A HN 0.542 nan 8.150 nan 0.000 0.448 411 Q N -0.420 119.258 119.800 -0.204 0.000 2.226 411 Q HA -0.125 4.213 4.340 -0.003 0.000 0.204 411 Q C 1.580 177.476 176.000 -0.174 0.000 0.975 411 Q CA 1.619 57.299 55.803 -0.205 0.000 0.866 411 Q CB -0.362 28.254 28.738 -0.203 0.000 0.915 411 Q HN 0.578 nan 8.270 nan 0.000 0.440 412 G N 0.134 108.844 108.800 -0.149 0.000 3.502 412 G HA2 0.273 4.231 3.960 -0.003 0.000 0.267 412 G HA3 0.273 4.231 3.960 -0.003 0.000 0.267 412 G C 0.145 175.055 174.900 0.017 0.000 1.090 412 G CA -0.420 44.630 45.100 -0.083 0.000 0.795 412 G HN 0.121 nan 8.290 nan 0.000 0.535 413 L N 0.679 121.893 121.223 -0.015 0.000 2.416 413 L HA 0.232 4.570 4.340 -0.003 0.000 0.272 413 L C -0.027 176.940 176.870 0.162 0.000 1.161 413 L CA -0.881 53.981 54.840 0.038 0.000 0.845 413 L CB 0.643 42.709 42.059 0.012 0.000 1.119 413 L HN 0.122 nan 8.230 nan 0.000 0.464 414 W N 3.084 124.298 121.300 -0.144 0.000 2.485 414 W HA 0.159 4.817 4.660 -0.003 0.000 0.315 414 W C 0.109 176.538 176.519 -0.149 0.000 1.304 414 W CA -0.788 56.469 57.345 -0.146 0.000 1.345 414 W CB -0.370 29.014 29.460 -0.127 0.000 1.368 414 W HN 0.356 nan 8.180 nan 0.000 0.497 415 N N 5.199 123.810 118.700 -0.148 0.000 2.719 415 N HA 0.176 4.914 4.740 -0.003 0.000 0.243 415 N C -0.330 175.066 175.510 -0.191 0.000 1.104 415 N CA -0.263 52.476 53.050 -0.519 0.000 0.981 415 N CB 0.196 37.877 38.487 -1.343 0.000 1.290 415 N HN 0.384 nan 8.380 nan 0.000 0.513 416 L N -1.285 120.040 121.223 0.171 0.000 2.379 416 L HA 0.545 4.883 4.340 -0.003 0.000 0.269 416 L C 0.451 177.517 176.870 0.326 0.000 1.084 416 L CA -0.726 54.250 54.840 0.226 0.000 0.802 416 L CB 1.123 43.325 42.059 0.238 0.000 1.175 416 L HN 0.172 nan 8.230 nan 0.000 0.448 417 L N 0.326 121.649 121.223 0.167 0.000 2.470 417 L HA 0.295 4.634 4.340 -0.003 0.000 0.219 417 L C -0.389 176.565 176.870 0.140 0.000 1.071 417 L CA 0.234 55.068 54.840 -0.009 0.000 0.850 417 L CB -0.069 41.803 42.059 -0.311 0.000 1.040 417 L HN 0.912 nan 8.230 nan 0.000 0.475 418 D N -2.270 118.216 120.400 0.143 0.000 2.713 418 D HA 0.527 5.166 4.640 -0.003 0.000 0.306 418 D C -0.680 175.561 176.300 -0.098 0.000 1.299 418 D CA -0.418 53.636 54.000 0.091 0.000 0.823 418 D CB 1.127 42.026 40.800 0.165 0.000 1.353 418 D HN -0.066 nan 8.370 nan 0.000 0.447 419 S N -2.170 113.358 115.700 -0.287 0.000 2.661 419 S HA 0.326 4.795 4.470 -0.003 0.000 0.268 419 S C 0.420 174.715 174.600 -0.508 0.000 1.162 419 S CA -0.626 57.267 58.200 -0.513 0.000 0.817 419 S CB 0.497 63.698 63.200 0.002 0.000 1.141 419 S HN 0.881 nan 8.310 nan 0.000 0.477 420 H N 0.209 119.031 119.070 -0.414 0.000 2.568 420 H HA 0.140 4.695 4.556 -0.002 0.000 0.281 420 H C -0.159 175.199 175.328 0.049 0.000 1.028 420 H CA 1.209 57.278 56.048 0.035 0.000 1.199 420 H CB -0.634 29.173 29.762 0.076 0.000 1.352 420 H HN 0.603 nan 8.280 nan 0.000 0.605 421 D N 1.036 121.250 120.400 -0.310 0.000 2.398 421 D HA 0.078 4.716 4.640 -0.003 0.000 0.210 421 D C 0.542 176.771 176.300 -0.120 0.000 1.094 421 D CA 0.577 54.416 54.000 -0.268 0.000 0.839 421 D CB 0.958 41.554 40.800 -0.339 0.000 0.963 421 D HN 0.555 nan 8.370 nan 0.000 0.506 422 T N -2.106 112.407 114.554 -0.069 0.000 2.838 422 T HA 0.436 4.784 4.350 -0.003 0.000 0.292 422 T C -0.132 174.589 174.700 0.036 0.000 1.113 422 T CA -1.043 61.044 62.100 -0.021 0.000 1.008 422 T CB 2.391 71.249 68.868 -0.017 0.000 1.259 422 T HN -0.011 nan 8.240 nan 0.000 0.520 423 E N 0.551 120.781 120.200 0.049 0.000 2.371 423 E HA 0.321 4.670 4.350 -0.003 0.000 0.257 423 E C -0.375 176.298 176.600 0.121 0.000 1.134 423 E CA -1.052 55.389 56.400 0.070 0.000 0.919 423 E CB 0.710 30.431 29.700 0.035 0.000 1.025 423 E HN 0.369 nan 8.360 nan 0.000 0.438 424 R N 0.980 121.557 120.500 0.128 0.000 2.537 424 R HA 0.010 4.348 4.340 -0.003 0.000 0.280 424 R C 0.680 177.124 176.300 0.241 0.000 1.058 424 R CA -0.047 56.169 56.100 0.193 0.000 1.057 424 R CB 0.053 30.413 30.300 0.100 0.000 0.973 424 R HN 0.670 nan 8.270 nan 0.000 0.438 425 F N 2.162 122.248 119.950 0.226 0.000 2.192 425 F HA -0.255 4.271 4.527 -0.002 0.000 0.301 425 F C 1.993 177.945 175.800 0.254 0.000 1.079 425 F CA 1.384 59.550 58.000 0.277 0.000 1.303 425 F CB -0.086 39.156 39.000 0.404 0.000 1.024 425 F HN 0.465 nan 8.300 nan 0.000 0.494 426 L N -0.264 121.103 121.223 0.239 0.000 2.083 426 L HA -0.187 4.152 4.340 -0.003 0.000 0.209 426 L C 2.247 179.052 176.870 -0.109 0.000 1.083 426 L CA 2.263 57.026 54.840 -0.128 0.000 0.752 426 L CB -1.347 40.413 42.059 -0.499 0.000 0.899 426 L HN 0.089 nan 8.230 nan 0.000 0.433 427 T N -1.154 113.360 114.554 -0.067 0.000 2.821 427 T HA -0.116 4.233 4.350 -0.003 0.000 0.267 427 T C 1.934 176.573 174.700 -0.102 0.000 1.046 427 T CA 1.485 63.541 62.100 -0.072 0.000 1.139 427 T CB -0.162 68.685 68.868 -0.035 0.000 0.871 427 T HN 0.417 nan 8.240 nan 0.000 0.454 428 S N 0.404 116.018 115.700 -0.144 0.000 2.423 428 S HA -0.078 4.391 4.470 -0.003 0.000 0.231 428 S C 2.002 176.431 174.600 -0.285 0.000 1.014 428 S CA 0.625 58.683 58.200 -0.235 0.000 0.965 428 S CB -0.329 62.644 63.200 -0.379 0.000 0.785 428 S HN 0.564 nan 8.310 nan 0.000 0.495 429 C N 1.398 120.527 119.300 -0.285 0.000 2.613 429 C HA 0.415 4.874 4.460 -0.003 0.000 0.273 429 C C 1.881 176.786 174.990 -0.142 0.000 1.304 429 C CA -0.305 58.582 59.018 -0.219 0.000 1.702 429 C CB -1.577 26.081 27.740 -0.137 0.000 1.792 429 C HN 0.722 nan 8.230 nan 0.000 0.588 430 G N 0.543 109.268 108.800 -0.125 0.000 2.249 430 G HA2 0.027 3.986 3.960 -0.003 0.000 0.273 430 G HA3 0.027 3.986 3.960 -0.003 0.000 0.273 430 G C 0.948 175.797 174.900 -0.085 0.000 1.036 430 G CA 0.541 45.585 45.100 -0.092 0.000 0.824 430 G HN 1.495 nan 8.290 nan 0.000 0.504 431 G N -1.110 107.631 108.800 -0.099 0.000 2.162 431 G HA2 -0.340 3.619 3.960 -0.003 0.000 0.260 431 G HA3 -0.340 3.619 3.960 -0.003 0.000 0.260 431 G C 0.284 175.132 174.900 -0.087 0.000 0.976 431 G CA 0.721 45.762 45.100 -0.099 0.000 0.655 431 G HN 1.376 nan 8.290 nan 0.000 0.533 432 N N 0.849 119.499 118.700 -0.083 0.000 2.402 432 N HA 0.191 4.929 4.740 -0.003 0.000 0.252 432 N C 1.145 176.629 175.510 -0.044 0.000 1.118 432 N CA 0.326 53.331 53.050 -0.076 0.000 0.945 432 N CB 0.643 39.059 38.487 -0.118 0.000 1.147 432 N HN 0.572 nan 8.380 nan 0.000 0.495 433 E N 3.131 123.319 120.200 -0.019 0.000 2.106 433 E HA -0.144 4.204 4.350 -0.003 0.000 0.192 433 E C 1.520 178.163 176.600 0.072 0.000 0.984 433 E CA 0.867 57.300 56.400 0.054 0.000 0.806 433 E CB 0.139 29.858 29.700 0.031 0.000 0.750 433 E HN 0.741 nan 8.360 nan 0.000 0.458 434 A N 1.219 124.032 122.820 -0.012 0.000 1.978 434 A HA -0.235 4.083 4.320 -0.003 0.000 0.220 434 A C 1.944 179.440 177.584 -0.146 0.000 1.170 434 A CA 1.612 53.627 52.037 -0.036 0.000 0.636 434 A CB -0.255 18.761 19.000 0.026 0.000 0.810 434 A HN 0.122 nan 8.150 nan 0.000 0.448 435 K N -1.945 118.304 120.400 -0.253 0.000 2.067 435 K HA 0.032 4.351 4.320 -0.003 0.000 0.203 435 K C 1.799 178.395 176.600 -0.007 0.000 1.048 435 K CA 1.122 57.243 56.287 -0.277 0.000 0.954 435 K CB -0.313 31.996 32.500 -0.318 0.000 0.737 435 K HN 0.430 nan 8.250 nan 0.000 0.444 436 F N 2.771 122.705 119.950 -0.026 0.000 2.091 436 F HA -0.228 4.297 4.527 -0.003 0.000 0.299 436 F C 2.192 178.071 175.800 0.132 0.000 1.103 436 F CA 1.591 59.674 58.000 0.138 0.000 1.228 436 F CB -0.014 39.081 39.000 0.157 0.000 0.984 436 F HN -0.108 nan 8.300 nan 0.000 0.477 437 R N -0.170 120.487 120.500 0.263 0.000 2.083 437 R HA -0.179 4.159 4.340 -0.003 0.000 0.237 437 R C 2.271 178.668 176.300 0.161 0.000 1.137 437 R CA 1.444 57.722 56.100 0.296 0.000 0.951 437 R CB -0.957 29.477 30.300 0.223 0.000 0.851 437 R HN 0.324 nan 8.270 nan 0.000 0.434 438 L N 0.804 122.034 121.223 0.011 0.000 2.079 438 L HA -0.144 4.194 4.340 -0.003 0.000 0.210 438 L C 2.263 178.904 176.870 -0.381 0.000 1.081 438 L CA 1.917 56.720 54.840 -0.061 0.000 0.752 438 L CB -1.025 41.018 42.059 -0.027 0.000 0.896 438 L HN 0.191 nan 8.230 nan 0.000 0.433 439 A N -1.096 121.285 122.820 -0.731 0.000 1.930 439 A HA -0.130 4.189 4.320 -0.003 0.000 0.217 439 A C 2.280 179.638 177.584 -0.376 0.000 1.175 439 A CA 1.633 53.061 52.037 -1.014 0.000 0.627 439 A CB -0.621 17.980 19.000 -0.664 0.000 0.815 439 A HN 0.292 nan 8.150 nan 0.000 0.443 440 V N -0.105 119.597 119.914 -0.353 0.000 2.453 440 V HA -0.191 3.927 4.120 -0.003 0.000 0.247 440 V C 2.434 178.382 176.094 -0.243 0.000 1.048 440 V CA 1.635 63.724 62.300 -0.352 0.000 1.049 440 V CB -0.660 30.872 31.823 -0.485 0.000 0.672 440 V HN 0.645 nan 8.190 nan 0.000 0.457 441 L N -0.778 120.388 121.223 -0.095 0.000 2.046 441 L HA -0.200 4.138 4.340 -0.003 0.000 0.208 441 L C 2.323 179.270 176.870 0.129 0.000 1.077 441 L CA 2.034 56.866 54.840 -0.013 0.000 0.747 441 L CB -0.314 41.864 42.059 0.199 0.000 0.896 441 L HN 0.385 nan 8.230 nan 0.000 0.432 442 F N 0.505 120.517 119.950 0.103 0.000 2.075 442 F HA -0.304 4.222 4.527 -0.002 0.000 0.297 442 F C 2.705 178.684 175.800 0.298 0.000 1.113 442 F CA 2.098 60.302 58.000 0.341 0.000 1.218 442 F CB -0.368 38.895 39.000 0.439 0.000 0.984 442 F HN 0.181 nan 8.300 nan 0.000 0.472 443 Q N -0.146 119.789 119.800 0.225 0.000 2.133 443 Q HA -0.256 4.083 4.340 -0.003 0.000 0.208 443 Q C 1.923 177.853 176.000 -0.117 0.000 0.991 443 Q CA 2.080 57.946 55.803 0.105 0.000 0.867 443 Q CB -0.164 28.610 28.738 0.060 0.000 0.911 443 Q HN 0.389 nan 8.270 nan 0.000 0.417 444 M N -0.012 119.496 119.600 -0.152 0.000 2.619 444 M HA -0.018 4.460 4.480 -0.003 0.000 0.251 444 M C 1.437 177.655 176.300 -0.137 0.000 1.106 444 M CA 1.321 56.496 55.300 -0.208 0.000 1.086 444 M CB -0.154 32.267 32.600 -0.298 0.000 1.465 444 M HN 0.368 nan 8.290 nan 0.000 0.506 445 T N -4.653 109.878 114.554 -0.039 0.000 3.043 445 T HA 0.127 4.475 4.350 -0.003 0.000 0.272 445 T C 0.132 174.913 174.700 0.133 0.000 0.990 445 T CA -0.415 61.726 62.100 0.068 0.000 0.897 445 T CB -0.038 68.944 68.868 0.191 0.000 1.111 445 T HN 0.108 nan 8.240 nan 0.000 0.529 446 Y N 1.674 121.805 120.300 -0.281 0.000 2.340 446 Y HA 0.625 5.173 4.550 -0.002 0.000 0.327 446 Y C 0.020 175.727 175.900 -0.322 0.000 1.321 446 Y CA -2.361 55.447 58.100 -0.486 0.000 1.433 446 Y CB 0.683 38.518 38.460 -1.041 0.000 1.373 446 Y HN 0.140 nan 8.280 nan 0.000 0.538 447 L N 3.173 123.724 121.223 -1.119 0.000 2.418 447 L HA 0.490 4.828 4.340 -0.003 0.000 0.274 447 L C 0.146 176.676 176.870 -0.567 0.000 1.135 447 L CA 1.372 55.750 54.840 -0.770 0.000 0.870 447 L CB -0.468 41.083 42.059 -0.848 0.000 1.154 447 L HN 0.841 nan 8.230 nan 0.000 0.462 448 G N 2.563 111.150 108.800 -0.355 0.000 2.347 448 G HA2 0.034 3.992 3.960 -0.003 0.000 0.341 448 G HA3 0.034 3.992 3.960 -0.003 0.000 0.341 448 G C -0.963 173.791 174.900 -0.244 0.000 1.287 448 G CA -0.523 44.417 45.100 -0.266 0.000 0.984 448 G HN 0.590 nan 8.290 nan 0.000 0.526 449 T N 2.900 117.332 114.554 -0.203 0.000 2.749 449 T HA 0.626 4.974 4.350 -0.003 0.000 0.287 449 T C -2.557 171.950 174.700 -0.322 0.000 0.970 449 T CA -0.761 61.188 62.100 -0.251 0.000 0.980 449 T CB 1.834 70.541 68.868 -0.268 0.000 0.924 449 T HN 0.375 nan 8.240 nan 0.000 0.456 450 P HA 0.232 nan 4.420 nan 0.000 0.271 450 P C -0.801 176.345 177.300 -0.258 0.000 1.220 450 P CA -0.347 62.592 63.100 -0.268 0.000 0.768 450 P CB 0.550 32.110 31.700 -0.233 0.000 0.848 451 L N 5.105 126.216 121.223 -0.186 0.000 2.319 451 L HA 0.486 4.825 4.340 -0.003 0.000 0.281 451 L C -0.596 176.276 176.870 0.004 0.000 1.005 451 L CA -0.709 54.047 54.840 -0.139 0.000 0.828 451 L CB 0.754 42.758 42.059 -0.091 0.000 1.227 451 L HN 0.277 nan 8.230 nan 0.000 0.415 452 I N 4.457 125.052 120.570 0.042 0.000 2.321 452 I HA 0.180 4.348 4.170 -0.003 0.000 0.291 452 I C -0.841 175.266 176.117 -0.017 0.000 0.998 452 I CA -0.692 60.685 61.300 0.127 0.000 1.227 452 I CB 1.342 39.530 38.000 0.314 0.000 1.368 452 I HN 0.431 nan 8.210 nan 0.000 0.466 453 Y N 8.196 128.467 120.300 -0.049 0.000 2.336 453 Y HA 0.159 4.707 4.550 -0.003 0.000 0.335 453 Y C 0.067 175.870 175.900 -0.161 0.000 1.046 453 Y CA -1.371 56.688 58.100 -0.070 0.000 1.198 453 Y CB 0.305 38.794 38.460 0.048 0.000 1.182 453 Y HN 0.468 nan 8.280 nan 0.000 0.502 454 Y N 4.790 124.739 120.300 -0.586 0.000 2.954 454 Y HA 0.244 4.792 4.550 -0.003 0.000 0.351 454 Y C 1.033 176.768 175.900 -0.275 0.000 1.282 454 Y CA 0.446 58.360 58.100 -0.311 0.000 1.614 454 Y CB -0.212 38.255 38.460 0.013 0.000 1.183 454 Y HN 0.927 nan 8.280 nan 0.000 0.566 455 G N 3.077 111.751 108.800 -0.210 0.000 2.308 455 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.221 455 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.221 455 G C 0.855 175.641 174.900 -0.189 0.000 1.032 455 G CA 0.241 45.147 45.100 -0.323 0.000 0.623 455 G HN 0.615 nan 8.290 nan 0.000 0.506 456 D N 1.548 121.884 120.400 -0.107 0.000 2.190 456 D HA -0.094 4.544 4.640 -0.003 0.000 0.200 456 D C 2.430 178.706 176.300 -0.040 0.000 0.992 456 D CA 1.484 55.531 54.000 0.078 0.000 0.854 456 D CB -0.114 40.875 40.800 0.316 0.000 0.936 456 D HN 0.789 nan 8.370 nan 0.000 0.462 457 E N 1.331 121.398 120.200 -0.221 0.000 2.347 457 E HA -0.149 4.199 4.350 -0.003 0.000 0.196 457 E C 1.849 178.367 176.600 -0.138 0.000 1.008 457 E CA 0.542 56.557 56.400 -0.643 0.000 0.852 457 E CB -0.368 29.234 29.700 -0.164 0.000 0.783 457 E HN 0.461 nan 8.360 nan 0.000 0.505 458 I N -3.724 116.811 120.570 -0.057 0.000 3.927 458 I HA 0.556 4.724 4.170 -0.003 0.000 0.332 458 I C 1.059 177.123 176.117 -0.088 0.000 1.485 458 I CA -0.007 61.264 61.300 -0.049 0.000 1.131 458 I CB 0.879 38.783 38.000 -0.159 0.000 1.092 458 I HN 0.007 nan 8.210 nan 0.000 0.410 459 G N 1.516 110.256 108.800 -0.101 0.000 2.147 459 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.244 459 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.244 459 G C 0.173 174.946 174.900 -0.211 0.000 1.005 459 G CA 0.115 45.112 45.100 -0.173 0.000 0.713 459 G HN 0.434 nan 8.290 nan 0.000 0.515 460 M N 0.561 120.042 119.600 -0.198 0.000 2.239 460 M HA 0.450 4.928 4.480 -0.003 0.000 0.348 460 M C 0.838 177.027 176.300 -0.184 0.000 1.239 460 M CA 0.993 56.172 55.300 -0.201 0.000 1.114 460 M CB 0.822 33.271 32.600 -0.251 0.000 1.641 460 M HN 0.555 nan 8.290 nan 0.000 0.453 461 A N 2.513 125.239 122.820 -0.158 0.000 2.347 461 A HA 1.040 5.358 4.320 -0.003 0.000 0.301 461 A C -0.139 177.394 177.584 -0.085 0.000 1.163 461 A CA -0.163 51.797 52.037 -0.127 0.000 0.860 461 A CB 1.626 20.545 19.000 -0.134 0.000 1.367 461 A HN 0.928 nan 8.150 nan 0.000 0.461 462 G N -2.268 106.501 108.800 -0.052 0.000 2.352 462 G HA2 0.616 4.575 3.960 -0.003 0.000 0.305 462 G HA3 0.616 4.575 3.960 -0.003 0.000 0.305 462 G C -0.450 174.450 174.900 0.000 0.000 1.537 462 G CA 0.108 45.192 45.100 -0.027 0.000 0.959 462 G HN 1.826 nan 8.290 nan 0.000 0.668 463 A N 0.122 122.945 122.820 0.005 0.000 2.249 463 A HA 0.891 5.209 4.320 -0.003 0.000 0.281 463 A C 1.291 178.897 177.584 0.037 0.000 1.127 463 A CA 0.867 52.912 52.037 0.013 0.000 0.833 463 A CB 0.424 19.428 19.000 0.007 0.000 1.140 463 A HN 2.331 nan 8.150 nan 0.000 0.502 464 T N -0.797 113.777 114.554 0.033 0.000 2.748 464 T HA 0.186 4.534 4.350 -0.003 0.000 0.304 464 T C 0.309 175.047 174.700 0.062 0.000 1.041 464 T CA 0.233 62.359 62.100 0.043 0.000 1.033 464 T CB -0.035 68.843 68.868 0.017 0.000 0.995 464 T HN 0.705 nan 8.240 nan 0.000 0.536 465 D N 1.907 122.353 120.400 0.077 0.000 2.973 465 D HA -0.042 4.597 4.640 -0.003 0.000 0.214 465 D C -1.266 175.093 176.300 0.099 0.000 1.079 465 D CA -0.803 53.263 54.000 0.110 0.000 0.797 465 D CB 0.770 41.628 40.800 0.096 0.000 1.168 465 D HN 0.473 nan 8.370 nan 0.000 0.515 466 P HA 0.106 nan 4.420 nan 0.000 0.266 466 P C 0.204 177.574 177.300 0.117 0.000 1.381 466 P CA -0.073 63.111 63.100 0.141 0.000 0.940 466 P CB 0.522 32.305 31.700 0.139 0.000 1.435 467 D N 0.109 120.561 120.400 0.087 0.000 2.312 467 D HA -0.094 4.545 4.640 -0.003 0.000 0.211 467 D C 1.613 177.952 176.300 0.064 0.000 0.964 467 D CA 0.736 54.767 54.000 0.053 0.000 0.877 467 D CB -0.318 40.501 40.800 0.033 0.000 0.924 467 D HN 0.235 nan 8.370 nan 0.000 0.515 468 C N -0.469 118.910 119.300 0.131 0.000 2.618 468 C HA 0.302 4.761 4.460 -0.003 0.000 0.264 468 C C 1.142 176.301 174.990 0.282 0.000 1.334 468 C CA -0.597 58.541 59.018 0.199 0.000 1.731 468 C CB -0.557 27.339 27.740 0.260 0.000 1.852 468 C HN -0.012 nan 8.230 nan 0.000 0.566 469 R N 1.440 122.092 120.500 0.252 0.000 2.893 469 R HA 0.287 4.625 4.340 -0.003 0.000 0.317 469 R C -0.057 176.265 176.300 0.037 0.000 1.239 469 R CA 0.012 56.294 56.100 0.303 0.000 1.128 469 R CB -0.626 29.853 30.300 0.299 0.000 1.377 469 R HN 0.614 nan 8.270 nan 0.000 0.583 470 R N 1.674 122.146 120.500 -0.046 0.000 2.490 470 R HA 0.203 4.541 4.340 -0.003 0.000 0.280 470 R C -2.243 173.878 176.300 -0.298 0.000 1.077 470 R CA -1.740 54.214 56.100 -0.243 0.000 1.065 470 R CB 0.234 30.413 30.300 -0.202 0.000 1.003 470 R HN -0.073 nan 8.270 nan 0.000 0.470 471 P HA -0.115 nan 4.420 nan 0.000 0.264 471 P C -0.200 176.944 177.300 -0.260 0.000 1.183 471 P CA 0.150 62.779 63.100 -0.785 0.000 0.763 471 P CB 0.415 31.162 31.700 -1.589 0.000 0.807 472 M N 4.521 124.136 119.600 0.024 0.000 2.248 472 M HA 0.068 4.547 4.480 -0.003 0.000 0.345 472 M C -0.509 175.618 176.300 -0.289 0.000 1.243 472 M CA 0.635 55.777 55.300 -0.263 0.000 1.090 472 M CB -0.466 31.718 32.600 -0.693 0.000 1.683 472 M HN 0.196 nan 8.290 nan 0.000 0.450 473 I N 6.385 126.695 120.570 -0.434 0.000 2.294 473 I HA 0.026 4.195 4.170 -0.003 0.000 0.295 473 I C -0.397 175.466 176.117 -0.423 0.000 1.098 473 I CA 0.198 61.336 61.300 -0.271 0.000 1.277 473 I CB 0.132 38.002 38.000 -0.217 0.000 1.434 473 I HN 0.887 nan 8.210 nan 0.000 0.498 474 W N 2.851 124.083 121.300 -0.112 0.000 3.211 474 W HA 0.141 4.799 4.660 -0.002 0.000 0.292 474 W C 1.113 177.541 176.519 -0.151 0.000 1.268 474 W CA -0.355 56.862 57.345 -0.213 0.000 1.702 474 W CB 0.438 29.740 29.460 -0.262 0.000 1.092 474 W HN 0.346 nan 8.180 nan 0.000 0.643 475 E N 1.897 122.143 120.200 0.078 0.000 2.104 475 E HA -0.022 4.327 4.350 -0.003 0.000 0.278 475 E C 0.878 177.478 176.600 -0.001 0.000 1.127 475 E CA 0.291 56.715 56.400 0.041 0.000 0.897 475 E CB 0.557 30.279 29.700 0.037 0.000 1.043 475 E HN 0.425 nan 8.360 nan 0.000 0.410 476 E N 3.308 123.510 120.200 0.004 0.000 2.171 476 E HA -0.268 4.081 4.350 -0.003 0.000 0.197 476 E C 1.709 178.301 176.600 -0.014 0.000 0.997 476 E CA 1.115 57.507 56.400 -0.014 0.000 0.810 476 E CB 0.092 29.795 29.700 0.006 0.000 0.738 476 E HN 0.411 nan 8.360 nan 0.000 0.467 477 K N 1.083 121.481 120.400 -0.003 0.000 2.097 477 K HA -0.172 4.146 4.320 -0.003 0.000 0.206 477 K C 1.500 178.094 176.600 -0.011 0.000 1.049 477 K CA 1.145 57.432 56.287 -0.001 0.000 0.933 477 K CB 0.194 32.697 32.500 0.004 0.000 0.717 477 K HN -0.049 nan 8.250 nan 0.000 0.442 478 E N 1.011 121.199 120.200 -0.020 0.000 2.489 478 E HA 0.024 4.372 4.350 -0.003 0.000 0.193 478 E C -0.071 176.493 176.600 -0.059 0.000 1.057 478 E CA 0.299 56.679 56.400 -0.034 0.000 0.866 478 E CB 0.406 30.089 29.700 -0.029 0.000 0.916 478 E HN 0.470 nan 8.360 nan 0.000 0.500 479 Q N 0.742 120.504 119.800 -0.065 0.000 2.230 479 Q HA 0.183 4.521 4.340 -0.003 0.000 0.248 479 Q C 0.213 176.187 176.000 -0.044 0.000 0.915 479 Q CA -0.435 55.315 55.803 -0.089 0.000 0.900 479 Q CB 0.810 29.468 28.738 -0.132 0.000 1.229 479 Q HN -0.135 nan 8.270 nan 0.000 0.439 480 N N 2.080 120.761 118.700 -0.032 0.000 3.298 480 N HA 0.009 4.748 4.740 -0.003 0.000 0.292 480 N C 0.336 175.898 175.510 0.087 0.000 1.271 480 N CA -0.005 53.056 53.050 0.019 0.000 1.184 480 N CB 0.194 38.687 38.487 0.011 0.000 1.452 480 N HN 0.439 nan 8.380 nan 0.000 0.534 481 R N 0.356 120.907 120.500 0.085 0.000 2.211 481 R HA -0.086 4.252 4.340 -0.003 0.000 0.240 481 R C 1.689 178.139 176.300 0.250 0.000 1.144 481 R CA 1.016 57.226 56.100 0.183 0.000 0.992 481 R CB -0.907 29.472 30.300 0.132 0.000 0.869 481 R HN 0.473 nan 8.270 nan 0.000 0.462 482 G N 1.362 110.262 108.800 0.167 0.000 2.459 482 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.217 482 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.217 482 G C 1.474 176.509 174.900 0.226 0.000 1.183 482 G CA 0.451 45.647 45.100 0.159 0.000 0.776 482 G HN 0.262 nan 8.290 nan 0.000 0.552 483 L N -0.468 120.900 121.223 0.242 0.000 2.056 483 L HA 0.150 4.489 4.340 -0.003 0.000 0.207 483 L C 2.513 179.629 176.870 0.411 0.000 1.078 483 L CA 1.512 56.562 54.840 0.350 0.000 0.749 483 L CB -0.495 41.741 42.059 0.296 0.000 0.901 483 L HN 0.284 nan 8.230 nan 0.000 0.433 484 F N 0.313 120.346 119.950 0.139 0.000 2.063 484 F HA -0.316 4.210 4.527 -0.003 0.000 0.298 484 F C 2.411 178.320 175.800 0.180 0.000 1.109 484 F CA 1.968 60.029 58.000 0.101 0.000 1.212 484 F CB -0.065 38.983 39.000 0.080 0.000 0.973 484 F HN 0.139 nan 8.300 nan 0.000 0.480 485 E N 0.116 120.447 120.200 0.218 0.000 2.118 485 E HA -0.271 4.077 4.350 -0.003 0.000 0.195 485 E C 2.106 178.793 176.600 0.144 0.000 0.992 485 E CA 1.521 57.972 56.400 0.086 0.000 0.804 485 E CB -0.903 28.897 29.700 0.168 0.000 0.741 485 E HN 0.621 nan 8.360 nan 0.000 0.458 486 F N 0.166 120.174 119.950 0.098 0.000 2.102 486 F HA -0.298 4.227 4.527 -0.003 0.000 0.298 486 F C 2.239 178.099 175.800 0.099 0.000 1.105 486 F CA 1.023 59.087 58.000 0.106 0.000 1.239 486 F CB -0.134 38.965 39.000 0.165 0.000 0.991 486 F HN -0.041 nan 8.300 nan 0.000 0.474 487 Y N 1.419 121.654 120.300 -0.107 0.000 2.114 487 Y HA -0.295 4.253 4.550 -0.003 0.000 0.282 487 Y C 2.361 178.088 175.900 -0.289 0.000 1.165 487 Y CA 2.051 60.006 58.100 -0.242 0.000 1.148 487 Y CB -0.713 37.685 38.460 -0.103 0.000 0.972 487 Y HN 0.030 nan 8.280 nan 0.000 0.504 488 K N -0.231 120.077 120.400 -0.153 0.000 2.009 488 K HA -0.266 4.053 4.320 -0.003 0.000 0.210 488 K C 2.113 178.622 176.600 -0.151 0.000 1.049 488 K CA 1.845 58.006 56.287 -0.210 0.000 0.929 488 K CB -0.331 31.997 32.500 -0.287 0.000 0.714 488 K HN 0.356 nan 8.250 nan 0.000 0.440 489 E N 1.154 121.286 120.200 -0.113 0.000 2.085 489 E HA -0.212 4.136 4.350 -0.003 0.000 0.194 489 E C 2.004 178.512 176.600 -0.155 0.000 0.994 489 E CA 1.091 57.441 56.400 -0.083 0.000 0.801 489 E CB -0.032 29.675 29.700 0.012 0.000 0.743 489 E HN 0.213 nan 8.360 nan 0.000 0.453 490 L N 0.581 121.636 121.223 -0.282 0.000 2.046 490 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 490 L C 2.568 179.267 176.870 -0.285 0.000 1.077 490 L CA 0.994 55.638 54.840 -0.328 0.000 0.747 490 L CB -0.397 41.348 42.059 -0.523 0.000 0.896 490 L HN 0.265 nan 8.230 nan 0.000 0.432 491 I N -0.572 119.834 120.570 -0.273 0.000 2.286 491 I HA -0.281 3.887 4.170 -0.003 0.000 0.248 491 I C 2.770 178.751 176.117 -0.227 0.000 1.115 491 I CA 1.218 62.352 61.300 -0.277 0.000 1.392 491 I CB -0.387 37.521 38.000 -0.153 0.000 1.065 491 I HN 0.263 nan 8.210 nan 0.000 0.418 492 R N 0.678 121.114 120.500 -0.108 0.000 2.070 492 R HA -0.120 4.219 4.340 -0.003 0.000 0.233 492 R C 2.383 178.634 176.300 -0.081 0.000 1.137 492 R CA 1.223 57.302 56.100 -0.035 0.000 0.945 492 R CB -0.487 29.787 30.300 -0.043 0.000 0.845 492 R HN 0.333 nan 8.270 nan 0.000 0.430 493 L N 0.448 121.595 121.223 -0.126 0.000 2.079 493 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 493 L C 2.862 179.631 176.870 -0.167 0.000 1.081 493 L CA 1.294 56.051 54.840 -0.139 0.000 0.752 493 L CB -0.321 41.666 42.059 -0.121 0.000 0.896 493 L HN 0.213 nan 8.230 nan 0.000 0.433 494 R N -1.033 119.328 120.500 -0.232 0.000 2.096 494 R HA -0.180 4.158 4.340 -0.003 0.000 0.235 494 R C 2.242 178.398 176.300 -0.240 0.000 1.127 494 R CA 1.281 57.216 56.100 -0.276 0.000 0.968 494 R CB -0.130 29.926 30.300 -0.406 0.000 0.861 494 R HN 0.440 nan 8.270 nan 0.000 0.440 495 H N -0.259 118.748 119.070 -0.105 0.000 2.524 495 H HA 0.027 4.582 4.556 -0.003 0.000 0.282 495 H C 1.596 176.862 175.328 -0.103 0.000 1.016 495 H CA 0.961 56.954 56.048 -0.092 0.000 1.270 495 H CB 0.238 29.952 29.762 -0.080 0.000 1.394 495 H HN 0.269 nan 8.280 nan 0.000 0.568 496 R N -0.050 120.424 120.500 -0.042 0.000 2.237 496 R HA 0.212 4.550 4.340 -0.003 0.000 0.195 496 R C 0.246 176.439 176.300 -0.178 0.000 0.956 496 R CA 0.062 56.093 56.100 -0.115 0.000 1.029 496 R CB 0.684 30.882 30.300 -0.170 0.000 0.972 496 R HN 0.038 nan 8.270 nan 0.000 0.493 497 L N 1.337 122.457 121.223 -0.171 0.000 2.314 497 L HA 0.337 4.676 4.340 -0.003 0.000 0.275 497 L C 1.198 178.015 176.870 -0.087 0.000 1.068 497 L CA -0.533 54.204 54.840 -0.171 0.000 0.894 497 L CB 1.436 43.389 42.059 -0.177 0.000 1.275 497 L HN 0.101 nan 8.230 nan 0.000 0.432 498 A N 1.782 124.566 122.820 -0.060 0.000 2.009 498 A HA -0.251 4.067 4.320 -0.003 0.000 0.222 498 A C 2.332 179.897 177.584 -0.031 0.000 1.175 498 A CA 2.399 54.416 52.037 -0.034 0.000 0.651 498 A CB -0.399 18.592 19.000 -0.015 0.000 0.815 498 A HN 0.778 nan 8.150 nan 0.000 0.459 499 S N -0.473 115.219 115.700 -0.013 0.000 2.447 499 S HA 0.018 4.487 4.470 -0.003 0.000 0.233 499 S C 1.599 176.180 174.600 -0.031 0.000 1.006 499 S CA 1.231 59.425 58.200 -0.011 0.000 0.957 499 S CB -0.493 62.726 63.200 0.031 0.000 0.773 499 S HN 0.475 nan 8.310 nan 0.000 0.507 500 L N 1.715 122.913 121.223 -0.042 0.000 2.418 500 L HA 0.048 4.387 4.340 -0.003 0.000 0.218 500 L C 2.689 179.500 176.870 -0.098 0.000 1.125 500 L CA 1.279 56.084 54.840 -0.057 0.000 0.835 500 L CB -0.478 41.539 42.059 -0.070 0.000 0.953 500 L HN 0.608 nan 8.230 nan 0.000 0.454 501 T N -4.585 109.914 114.554 -0.092 0.000 3.026 501 T HA 0.080 4.429 4.350 -0.003 0.000 0.245 501 T C 1.747 176.386 174.700 -0.101 0.000 1.004 501 T CA -0.167 61.872 62.100 -0.101 0.000 1.069 501 T CB 0.160 68.986 68.868 -0.070 0.000 1.005 501 T HN 0.115 nan 8.240 nan 0.000 0.472 502 R N 0.866 121.317 120.500 -0.082 0.000 2.476 502 R HA 0.450 4.789 4.340 -0.003 0.000 0.276 502 R C 1.016 177.266 176.300 -0.083 0.000 0.941 502 R CA -0.188 55.862 56.100 -0.083 0.000 1.088 502 R CB 1.025 31.289 30.300 -0.060 0.000 1.216 502 R HN 0.439 nan 8.270 nan 0.000 0.533 503 G N 0.566 109.317 108.800 -0.081 0.000 2.528 503 G HA2 0.120 4.078 3.960 -0.003 0.000 0.289 503 G HA3 0.120 4.078 3.960 -0.003 0.000 0.289 503 G C -0.299 174.538 174.900 -0.105 0.000 1.192 503 G CA -0.731 44.322 45.100 -0.079 0.000 0.921 503 G HN 0.318 nan 8.290 nan 0.000 0.512 504 N N -2.188 116.450 118.700 -0.103 0.000 2.374 504 N HA 0.465 5.204 4.740 -0.003 0.000 0.284 504 N C -0.999 174.450 175.510 -0.102 0.000 1.280 504 N CA -0.732 52.249 53.050 -0.115 0.000 0.963 504 N CB 1.232 39.659 38.487 -0.100 0.000 1.141 504 N HN 0.237 nan 8.380 nan 0.000 0.565 505 V N -0.094 119.759 119.914 -0.103 0.000 2.588 505 V HA 0.512 4.630 4.120 -0.003 0.000 0.304 505 V C -0.536 175.564 176.094 0.011 0.000 1.042 505 V CA -0.801 61.474 62.300 -0.043 0.000 0.877 505 V CB 1.487 33.217 31.823 -0.155 0.000 0.996 505 V HN 0.678 nan 8.190 nan 0.000 0.425 506 R N 1.980 122.537 120.500 0.095 0.000 2.533 506 R HA 0.474 4.812 4.340 -0.003 0.000 0.288 506 R C -0.691 175.729 176.300 0.200 0.000 1.039 506 R CA -0.566 55.591 56.100 0.096 0.000 0.909 506 R CB 2.217 32.532 30.300 0.026 0.000 1.195 506 R HN 0.704 nan 8.270 nan 0.000 0.438 507 S N 1.761 117.593 115.700 0.219 0.000 2.549 507 S HA 0.024 4.492 4.470 -0.003 0.000 0.286 507 S C 0.358 175.121 174.600 0.272 0.000 1.314 507 S CA -0.198 58.164 58.200 0.272 0.000 1.062 507 S CB 0.550 63.927 63.200 0.294 0.000 0.865 507 S HN 0.633 nan 8.310 nan 0.000 0.498 508 W N 2.941 124.243 121.300 0.004 0.000 2.777 508 W HA 0.262 4.921 4.660 -0.003 0.000 0.260 508 W C 0.469 177.025 176.519 0.062 0.000 1.194 508 W CA 0.726 58.076 57.345 0.008 0.000 1.447 508 W CB 0.075 29.510 29.460 -0.043 0.000 1.009 508 W HN 0.736 nan 8.180 nan 0.000 0.613 509 H N -0.560 118.521 119.070 0.018 0.000 3.094 509 H HA 0.510 5.064 4.556 -0.003 0.000 0.346 509 H C -1.699 173.650 175.328 0.035 0.000 1.238 509 H CA 0.135 56.147 56.048 -0.060 0.000 1.209 509 H CB 1.589 31.178 29.762 -0.288 0.000 1.911 509 H HN -0.101 nan 8.280 nan 0.000 0.540 510 A N 3.513 126.376 122.820 0.071 0.000 2.488 510 A HA 0.410 4.728 4.320 -0.003 0.000 0.295 510 A C -1.685 175.998 177.584 0.164 0.000 1.045 510 A CA -0.642 51.579 52.037 0.307 0.000 0.703 510 A CB 1.611 20.803 19.000 0.319 0.000 1.271 510 A HN 0.559 nan 8.150 nan 0.000 0.400 511 D N 2.369 122.931 120.400 0.270 0.000 2.542 511 D HA 0.189 4.827 4.640 -0.003 0.000 0.252 511 D C 0.846 177.220 176.300 0.123 0.000 1.222 511 D CA -0.393 53.712 54.000 0.175 0.000 0.895 511 D CB 1.538 42.482 40.800 0.240 0.000 1.207 511 D HN 0.617 nan 8.370 nan 0.000 0.558 512 K N 2.645 123.049 120.400 0.006 0.000 2.211 512 K HA -0.179 4.140 4.320 -0.003 0.000 0.203 512 K C 1.171 177.695 176.600 -0.127 0.000 1.050 512 K CA 1.003 57.183 56.287 -0.179 0.000 0.945 512 K CB 0.332 32.468 32.500 -0.607 0.000 0.732 512 K HN 0.180 nan 8.250 nan 0.000 0.451 513 Q N 0.940 120.703 119.800 -0.061 0.000 2.134 513 Q HA 0.168 4.507 4.340 -0.003 0.000 0.195 513 Q C 2.028 178.023 176.000 -0.009 0.000 0.958 513 Q CA 1.698 57.477 55.803 -0.041 0.000 0.840 513 Q CB -0.159 28.557 28.738 -0.038 0.000 0.918 513 Q HN 0.412 nan 8.270 nan 0.000 0.467 514 A N 0.234 123.062 122.820 0.014 0.000 2.066 514 A HA -0.025 4.293 4.320 -0.003 0.000 0.218 514 A C 0.786 178.385 177.584 0.024 0.000 1.157 514 A CA 1.024 53.065 52.037 0.008 0.000 0.670 514 A CB -0.367 18.640 19.000 0.012 0.000 0.804 514 A HN 0.592 nan 8.150 nan 0.000 0.453 515 N N -2.085 116.664 118.700 0.081 0.000 2.780 515 N HA -0.146 4.593 4.740 -0.003 0.000 0.248 515 N C -0.411 175.209 175.510 0.184 0.000 1.102 515 N CA 0.935 54.067 53.050 0.137 0.000 0.697 515 N CB -1.884 36.623 38.487 0.033 0.000 1.028 515 N HN 0.632 nan 8.380 nan 0.000 0.554 516 L N 0.674 122.018 121.223 0.201 0.000 2.307 516 L HA 0.643 4.981 4.340 -0.003 0.000 0.284 516 L C -0.793 176.288 176.870 0.353 0.000 1.023 516 L CA -0.959 54.004 54.840 0.205 0.000 0.810 516 L CB 0.979 43.061 42.059 0.039 0.000 1.231 516 L HN 0.194 nan 8.230 nan 0.000 0.423 517 Y N 4.555 125.013 120.300 0.263 0.000 2.477 517 Y HA 0.783 5.332 4.550 -0.002 0.000 0.347 517 Y C -0.975 175.117 175.900 0.320 0.000 0.981 517 Y CA -0.517 57.773 58.100 0.317 0.000 1.033 517 Y CB 1.981 40.661 38.460 0.368 0.000 1.245 517 Y HN 0.764 nan 8.280 nan 0.000 0.455 518 A N 5.459 127.994 122.820 -0.476 0.000 2.515 518 A HA 0.798 5.117 4.320 -0.003 0.000 0.298 518 A C -1.983 175.477 177.584 -0.207 0.000 1.059 518 A CA -0.544 51.334 52.037 -0.264 0.000 0.698 518 A CB 0.906 19.761 19.000 -0.241 0.000 1.289 518 A HN 0.871 nan 8.150 nan 0.000 0.404 519 F N -0.451 119.526 119.950 0.045 0.000 2.643 519 F HA 0.840 5.365 4.527 -0.003 0.000 0.314 519 F C -1.231 174.674 175.800 0.175 0.000 1.096 519 F CA -1.338 56.742 58.000 0.134 0.000 0.953 519 F CB 1.456 40.584 39.000 0.213 0.000 1.345 519 F HN 0.332 nan 8.300 nan 0.000 0.468 520 V N 2.653 122.702 119.914 0.225 0.000 2.487 520 V HA 0.561 4.680 4.120 -0.003 0.000 0.298 520 V C -0.562 175.574 176.094 0.071 0.000 1.028 520 V CA -0.783 61.511 62.300 -0.011 0.000 0.860 520 V CB 1.642 33.296 31.823 -0.283 0.000 0.991 520 V HN 0.676 nan 8.190 nan 0.000 0.427 521 R N 2.651 123.190 120.500 0.065 0.000 2.265 521 R HA 0.701 5.040 4.340 -0.003 0.000 0.319 521 R C -0.452 175.812 176.300 -0.060 0.000 1.006 521 R CA -0.303 55.819 56.100 0.036 0.000 0.880 521 R CB 1.534 31.878 30.300 0.073 0.000 1.077 521 R HN 0.739 nan 8.270 nan 0.000 0.454 522 T N 0.924 115.403 114.554 -0.125 0.000 2.886 522 T HA 0.423 4.772 4.350 -0.003 0.000 0.292 522 T C -1.042 173.592 174.700 -0.111 0.000 1.012 522 T CA -0.638 61.335 62.100 -0.211 0.000 0.982 522 T CB 2.233 70.835 68.868 -0.444 0.000 1.018 522 T HN 0.255 nan 8.240 nan 0.000 0.451 523 V N 4.194 124.082 119.914 -0.043 0.000 2.612 523 V HA 0.410 4.529 4.120 -0.003 0.000 0.301 523 V C 0.059 176.172 176.094 0.031 0.000 1.059 523 V CA -0.191 62.101 62.300 -0.014 0.000 0.886 523 V CB 1.114 32.932 31.823 -0.008 0.000 1.007 523 V HN 1.083 nan 8.190 nan 0.000 0.426 524 Q N 3.199 123.013 119.800 0.023 0.000 1.802 524 Q HA -0.279 4.060 4.340 -0.003 0.000 0.387 524 Q C 0.079 176.140 176.000 0.102 0.000 0.822 524 Q CA 2.225 58.056 55.803 0.046 0.000 0.840 524 Q CB -0.773 27.989 28.738 0.040 0.000 3.553 524 Q HN 0.869 nan 8.270 nan 0.000 0.735 525 D N 0.449 120.914 120.400 0.108 0.000 2.354 525 D HA 0.040 4.678 4.640 -0.003 0.000 0.209 525 D C 0.151 176.579 176.300 0.212 0.000 1.015 525 D CA 0.443 54.524 54.000 0.134 0.000 0.867 525 D CB 0.124 40.946 40.800 0.035 0.000 0.933 525 D HN 0.158 nan 8.370 nan 0.000 0.520 526 Q N 0.704 120.648 119.800 0.241 0.000 2.304 526 Q HA 0.110 4.448 4.340 -0.003 0.000 0.260 526 Q C -0.683 175.592 176.000 0.460 0.000 0.965 526 Q CA 0.284 56.266 55.803 0.299 0.000 0.898 526 Q CB 0.531 29.423 28.738 0.256 0.000 1.196 526 Q HN 0.312 nan 8.270 nan 0.000 0.402 527 H N 1.536 120.683 119.070 0.129 0.000 2.589 527 H HA 0.481 5.035 4.556 -0.003 0.000 0.351 527 H C -1.213 174.247 175.328 0.221 0.000 1.074 527 H CA -1.020 55.103 56.048 0.125 0.000 1.203 527 H CB 1.991 31.817 29.762 0.108 0.000 1.558 527 H HN 0.300 nan 8.280 nan 0.000 0.522 528 V N 2.586 122.654 119.914 0.255 0.000 2.488 528 V HA 0.340 4.458 4.120 -0.003 0.000 0.293 528 V C 0.233 176.367 176.094 0.068 0.000 1.027 528 V CA -0.774 61.666 62.300 0.233 0.000 0.862 528 V CB 1.644 33.587 31.823 0.200 0.000 1.008 528 V HN 0.960 nan 8.190 nan 0.000 0.428 529 G N 3.500 112.312 108.800 0.019 0.000 2.335 529 G HA2 0.583 4.542 3.960 -0.003 0.000 0.316 529 G HA3 0.583 4.542 3.960 -0.003 0.000 0.316 529 G C -0.761 174.152 174.900 0.021 0.000 1.129 529 G CA -0.427 44.627 45.100 -0.076 0.000 0.899 529 G HN 0.518 nan 8.290 nan 0.000 0.448 530 V N 2.876 122.626 119.914 -0.272 0.000 2.407 530 V HA 0.341 4.459 4.120 -0.003 0.000 0.278 530 V C -0.006 175.993 176.094 -0.158 0.000 1.037 530 V CA -0.588 61.516 62.300 -0.326 0.000 0.900 530 V CB 1.397 32.757 31.823 -0.771 0.000 0.983 530 V HN 0.495 nan 8.190 nan 0.000 0.459 531 V N 6.847 126.748 119.914 -0.022 0.000 2.384 531 V HA 0.486 4.605 4.120 -0.003 0.000 0.287 531 V C -0.284 175.862 176.094 0.087 0.000 1.020 531 V CA -0.498 61.782 62.300 -0.032 0.000 0.850 531 V CB 1.508 33.254 31.823 -0.128 0.000 0.987 531 V HN 0.668 nan 8.190 nan 0.000 0.436 532 L N 4.040 125.370 121.223 0.178 0.000 2.298 532 L HA 0.541 4.879 4.340 -0.003 0.000 0.284 532 L C 0.121 177.115 176.870 0.207 0.000 1.013 532 L CA -0.449 54.559 54.840 0.280 0.000 0.824 532 L CB 1.138 43.502 42.059 0.509 0.000 1.221 532 L HN 0.502 nan 8.230 nan 0.000 0.418 533 N N 2.247 121.033 118.700 0.143 0.000 3.188 533 N HA 0.011 4.749 4.740 -0.003 0.000 0.279 533 N C 0.203 175.764 175.510 0.086 0.000 1.213 533 N CA -0.125 52.964 53.050 0.066 0.000 1.138 533 N CB 0.049 38.541 38.487 0.009 0.000 1.417 533 N HN 0.461 nan 8.380 nan 0.000 0.526 534 N N 1.783 120.557 118.700 0.122 0.000 3.210 534 N HA 0.064 4.803 4.740 -0.003 0.000 0.314 534 N C -0.900 174.602 175.510 -0.014 0.000 1.291 534 N CA 0.110 53.239 53.050 0.131 0.000 1.202 534 N CB -0.283 38.107 38.487 -0.162 0.000 1.475 534 N HN 0.441 nan 8.380 nan 0.000 0.554 535 R N -0.930 119.374 120.500 -0.327 0.000 2.594 535 R HA 0.397 4.735 4.340 -0.003 0.000 0.265 535 R C -0.117 175.555 176.300 -1.047 0.000 1.070 535 R CA -0.784 54.997 56.100 -0.531 0.000 0.909 535 R CB 0.909 31.064 30.300 -0.241 0.000 1.243 535 R HN 0.225 nan 8.270 nan 0.000 0.455 536 G N 2.321 110.547 108.800 -0.957 0.000 3.455 536 G HA2 0.084 4.043 3.960 -0.003 0.000 0.250 536 G HA3 0.084 4.043 3.960 -0.003 0.000 0.250 536 G C -0.412 174.295 174.900 -0.322 0.000 1.071 536 G CA 0.387 45.069 45.100 -0.697 0.000 1.812 536 G HN 0.386 nan 8.290 nan 0.000 0.643 537 E N 0.374 120.397 120.200 -0.294 0.000 2.354 537 E HA 0.161 4.509 4.350 -0.003 0.000 0.283 537 E C -0.957 175.562 176.600 -0.136 0.000 0.938 537 E CA -0.764 55.538 56.400 -0.165 0.000 0.777 537 E CB 1.560 31.181 29.700 -0.131 0.000 1.222 537 E HN 0.162 nan 8.360 nan 0.000 0.423 538 K N 3.020 123.364 120.400 -0.093 0.000 2.436 538 K HA 0.059 4.377 4.320 -0.003 0.000 0.282 538 K C -0.407 176.151 176.600 -0.070 0.000 1.044 538 K CA 0.601 56.845 56.287 -0.073 0.000 1.028 538 K CB 0.499 32.969 32.500 -0.051 0.000 0.919 538 K HN 0.370 nan 8.250 nan 0.000 0.474 539 Q N 1.991 121.748 119.800 -0.072 0.000 2.433 539 Q HA 0.350 4.689 4.340 -0.003 0.000 0.279 539 Q C -1.026 174.931 176.000 -0.071 0.000 1.105 539 Q CA -1.040 54.721 55.803 -0.071 0.000 0.815 539 Q CB 2.583 31.274 28.738 -0.078 0.000 1.403 539 Q HN 0.541 nan 8.270 nan 0.000 0.435 540 T N 0.665 115.175 114.554 -0.073 0.000 2.885 540 T HA 0.578 4.926 4.350 -0.003 0.000 0.285 540 T C -1.330 173.302 174.700 -0.113 0.000 1.019 540 T CA -0.560 61.492 62.100 -0.080 0.000 1.010 540 T CB 1.653 70.486 68.868 -0.059 0.000 1.022 540 T HN 0.308 nan 8.240 nan 0.000 0.466 541 V N 3.394 123.217 119.914 -0.152 0.000 2.841 541 V HA 0.728 4.846 4.120 -0.003 0.000 0.310 541 V C -1.716 174.250 176.094 -0.213 0.000 1.090 541 V CA -0.983 61.180 62.300 -0.230 0.000 0.930 541 V CB 2.011 33.612 31.823 -0.371 0.000 1.014 541 V HN 0.710 nan 8.190 nan 0.000 0.425 542 L N 7.026 128.134 121.223 -0.192 0.000 2.301 542 L HA 0.618 4.956 4.340 -0.003 0.000 0.278 542 L C -0.837 175.949 176.870 -0.141 0.000 1.022 542 L CA 0.136 54.900 54.840 -0.127 0.000 0.854 542 L CB 0.888 42.916 42.059 -0.052 0.000 1.226 542 L HN 0.608 nan 8.230 nan 0.000 0.429 543 L N 4.160 125.260 121.223 -0.206 0.000 2.325 543 L HA 0.479 4.818 4.340 -0.003 0.000 0.279 543 L C -0.001 176.884 176.870 0.025 0.000 1.054 543 L CA -0.825 53.886 54.840 -0.215 0.000 0.804 543 L CB 1.182 42.850 42.059 -0.650 0.000 1.200 543 L HN 0.457 nan 8.230 nan 0.000 0.436 544 Q N 3.533 123.424 119.800 0.152 0.000 2.295 544 Q HA 0.318 4.656 4.340 -0.003 0.000 0.259 544 Q C -0.444 175.710 176.000 0.256 0.000 0.976 544 Q CA -0.252 55.662 55.803 0.184 0.000 0.923 544 Q CB 1.671 30.508 28.738 0.166 0.000 1.185 544 Q HN 0.511 nan 8.270 nan 0.000 0.410 545 V N -0.040 119.971 119.914 0.163 0.000 2.538 545 V HA 0.339 4.457 4.120 -0.003 0.000 0.265 545 V C -2.477 173.706 176.094 0.149 0.000 0.977 545 V CA -2.105 60.273 62.300 0.129 0.000 0.852 545 V CB 1.132 32.956 31.823 0.002 0.000 1.058 545 V HN 0.523 nan 8.190 nan 0.000 0.462 546 P HA 0.086 nan 4.420 nan 0.000 0.264 546 P C 0.933 178.312 177.300 0.132 0.000 1.183 546 P CA 0.361 63.528 63.100 0.112 0.000 0.763 546 P CB 1.049 32.801 31.700 0.086 0.000 0.807 547 E N 1.458 121.721 120.200 0.106 0.000 2.352 547 E HA -0.215 4.134 4.350 -0.003 0.000 0.203 547 E C 1.883 178.506 176.600 0.037 0.000 1.024 547 E CA 1.774 58.224 56.400 0.083 0.000 0.842 547 E CB -0.144 29.584 29.700 0.047 0.000 0.753 547 E HN 0.619 nan 8.360 nan 0.000 0.508 548 S N 0.030 115.753 115.700 0.038 0.000 2.370 548 S HA -0.138 4.330 4.470 -0.003 0.000 0.226 548 S C 2.102 176.670 174.600 -0.053 0.000 1.033 548 S CA 1.249 59.450 58.200 0.002 0.000 1.011 548 S CB -0.625 62.591 63.200 0.026 0.000 0.852 548 S HN 0.300 nan 8.310 nan 0.000 0.457 549 G N 0.555 109.347 108.800 -0.014 0.000 2.920 549 G HA2 0.497 4.455 3.960 -0.003 0.000 0.208 549 G HA3 0.497 4.455 3.960 -0.003 0.000 0.208 549 G C 0.628 175.396 174.900 -0.219 0.000 1.159 549 G CA 0.060 45.063 45.100 -0.160 0.000 0.784 549 G HN 1.260 nan 8.290 nan 0.000 0.535 550 G N -0.944 107.746 108.800 -0.183 0.000 2.357 550 G HA2 0.054 4.012 3.960 -0.003 0.000 0.643 550 G HA3 0.054 4.012 3.960 -0.003 0.000 0.643 550 G C -0.150 174.558 174.900 -0.321 0.000 1.358 550 G CA -0.026 44.786 45.100 -0.480 0.000 0.986 550 G HN 0.183 nan 8.290 nan 0.000 0.620 551 K N -1.175 119.016 120.400 -0.348 0.000 2.440 551 K HA 0.403 4.721 4.320 -0.003 0.000 0.207 551 K C 0.569 177.182 176.600 0.020 0.000 1.112 551 K CA 0.782 57.075 56.287 0.009 0.000 1.036 551 K CB 0.645 33.167 32.500 0.037 0.000 0.935 551 K HN 0.842 nan 8.250 nan 0.000 0.564 552 T N -0.515 113.785 114.554 -0.423 0.000 2.916 552 T HA 0.422 4.770 4.350 -0.003 0.000 0.298 552 T C -1.796 172.524 174.700 -0.632 0.000 1.031 552 T CA -0.670 61.221 62.100 -0.348 0.000 0.993 552 T CB 0.739 69.395 68.868 -0.352 0.000 1.045 552 T HN 0.130 nan 8.240 nan 0.000 0.454 553 W N 3.685 124.861 121.300 -0.207 0.000 2.950 553 W HA 0.666 5.325 4.660 -0.002 0.000 0.340 553 W C -1.241 175.212 176.519 -0.110 0.000 1.139 553 W CA -0.965 56.294 57.345 -0.144 0.000 1.188 553 W CB 2.314 31.752 29.460 -0.038 0.000 1.426 553 W HN 0.592 nan 8.180 nan 0.000 0.531 554 L N 2.599 123.921 121.223 0.166 0.000 2.356 554 L HA 0.320 4.658 4.340 -0.003 0.000 0.277 554 L C -0.383 176.624 176.870 0.228 0.000 0.996 554 L CA -0.089 54.845 54.840 0.158 0.000 0.822 554 L CB 1.222 43.368 42.059 0.145 0.000 1.256 554 L HN 0.188 nan 8.230 nan 0.000 0.413 555 D N 3.581 124.083 120.400 0.171 0.000 2.352 555 D HA 0.089 4.727 4.640 -0.003 0.000 0.245 555 D C 0.836 177.225 176.300 0.149 0.000 1.224 555 D CA -0.089 54.006 54.000 0.158 0.000 0.879 555 D CB 0.912 41.783 40.800 0.117 0.000 1.057 555 D HN 0.731 nan 8.370 nan 0.000 0.491 556 C N 3.533 122.929 119.300 0.160 0.000 2.413 556 C HA -0.062 4.396 4.460 -0.003 0.000 0.292 556 C C 2.433 177.482 174.990 0.098 0.000 1.435 556 C CA 0.170 59.262 59.018 0.122 0.000 1.791 556 C CB -1.001 26.790 27.740 0.086 0.000 1.784 556 C HN 0.673 nan 8.230 nan 0.000 0.548 557 L N 0.309 121.599 121.223 0.112 0.000 2.463 557 L HA 0.034 4.372 4.340 -0.003 0.000 0.219 557 L C 2.462 179.393 176.870 0.101 0.000 1.088 557 L CA 1.575 56.488 54.840 0.121 0.000 0.849 557 L CB -0.359 41.797 42.059 0.162 0.000 1.012 557 L HN 0.499 nan 8.230 nan 0.000 0.468 558 T N -5.926 108.682 114.554 0.091 0.000 2.966 558 T HA 0.262 4.611 4.350 -0.003 0.000 0.254 558 T C 1.415 176.158 174.700 0.071 0.000 0.961 558 T CA 0.577 62.721 62.100 0.073 0.000 0.915 558 T CB 1.032 69.939 68.868 0.065 0.000 1.186 558 T HN 0.249 nan 8.240 nan 0.000 0.505 559 G N 1.551 110.401 108.800 0.083 0.000 2.159 559 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.256 559 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.256 559 G C -0.164 174.780 174.900 0.073 0.000 0.977 559 G CA 0.277 45.426 45.100 0.082 0.000 0.652 559 G HN 0.815 nan 8.290 nan 0.000 0.531 560 E N 0.640 120.882 120.200 0.071 0.000 2.392 560 E HA 0.311 4.659 4.350 -0.003 0.000 0.264 560 E C 0.006 176.643 176.600 0.061 0.000 1.024 560 E CA -0.037 56.400 56.400 0.062 0.000 0.903 560 E CB 0.427 30.163 29.700 0.059 0.000 0.963 560 E HN 0.478 nan 8.360 nan 0.000 0.432 561 E N 2.473 122.699 120.200 0.044 0.000 2.175 561 E HA 0.318 4.667 4.350 -0.003 0.000 0.278 561 E C -1.079 175.517 176.600 -0.005 0.000 0.969 561 E CA -0.818 55.581 56.400 -0.001 0.000 0.796 561 E CB 1.444 31.133 29.700 -0.019 0.000 1.104 561 E HN 0.327 nan 8.360 nan 0.000 0.395 562 V N 1.373 121.269 119.914 -0.030 0.000 2.604 562 V HA 0.576 4.694 4.120 -0.003 0.000 0.305 562 V C -1.085 174.986 176.094 -0.039 0.000 1.043 562 V CA -0.789 61.529 62.300 0.029 0.000 0.888 562 V CB 1.520 33.403 31.823 0.099 0.000 0.995 562 V HN 0.711 nan 8.190 nan 0.000 0.429 563 H N 1.930 121.084 119.070 0.140 0.000 2.524 563 H HA 0.798 5.352 4.556 -0.003 0.000 0.353 563 H C 0.491 175.913 175.328 0.157 0.000 1.136 563 H CA 0.390 56.527 56.048 0.149 0.000 1.193 563 H CB 2.167 31.978 29.762 0.082 0.000 1.558 563 H HN 1.178 nan 8.280 nan 0.000 0.515 564 G N 1.231 110.232 108.800 0.336 0.000 2.389 564 G HA2 0.504 4.462 3.960 -0.003 0.000 0.328 564 G HA3 0.504 4.462 3.960 -0.003 0.000 0.328 564 G C -1.115 173.894 174.900 0.180 0.000 1.133 564 G CA -0.963 44.282 45.100 0.241 0.000 0.891 564 G HN 0.672 nan 8.290 nan 0.000 0.485 565 K N 0.655 121.129 120.400 0.122 0.000 2.443 565 K HA 0.506 4.824 4.320 -0.003 0.000 0.252 565 K C -0.234 176.409 176.600 0.072 0.000 0.933 565 K CA -0.838 55.501 56.287 0.086 0.000 0.792 565 K CB 1.827 34.364 32.500 0.061 0.000 1.185 565 K HN 0.505 nan 8.250 nan 0.000 0.425 566 Q N 1.387 121.225 119.800 0.064 0.000 2.451 566 Q HA -0.239 4.100 4.340 -0.003 0.000 0.305 566 Q C 0.551 176.590 176.000 0.066 0.000 1.345 566 Q CA 0.890 56.726 55.803 0.055 0.000 0.854 566 Q CB -1.941 26.822 28.738 0.041 0.000 1.162 566 Q HN 1.306 nan 8.270 nan 0.000 0.440 567 G N -0.598 108.253 108.800 0.085 0.000 2.168 567 G HA2 -0.339 3.620 3.960 -0.003 0.000 0.257 567 G HA3 -0.339 3.620 3.960 -0.003 0.000 0.257 567 G C -0.090 174.866 174.900 0.093 0.000 0.997 567 G CA 0.822 45.980 45.100 0.096 0.000 0.708 567 G HN 0.448 nan 8.290 nan 0.000 0.520 568 Q N -1.362 118.488 119.800 0.083 0.000 2.394 568 Q HA 0.756 5.094 4.340 -0.003 0.000 0.273 568 Q C -1.124 174.909 176.000 0.055 0.000 1.089 568 Q CA -0.974 54.866 55.803 0.061 0.000 0.812 568 Q CB 2.675 31.438 28.738 0.041 0.000 1.353 568 Q HN 0.197 nan 8.270 nan 0.000 0.438 569 L N 1.841 123.073 121.223 0.015 0.000 2.343 569 L HA 0.399 4.737 4.340 -0.003 0.000 0.278 569 L C -0.972 175.865 176.870 -0.054 0.000 0.996 569 L CA -0.198 54.638 54.840 -0.006 0.000 0.831 569 L CB 1.468 43.491 42.059 -0.059 0.000 1.232 569 L HN 0.410 nan 8.230 nan 0.000 0.413 570 K N 5.692 126.078 120.400 -0.023 0.000 2.253 570 K HA 0.612 4.930 4.320 -0.003 0.000 0.277 570 K C -1.509 175.060 176.600 -0.052 0.000 1.053 570 K CA -0.435 55.825 56.287 -0.046 0.000 0.892 570 K CB 0.605 33.094 32.500 -0.017 0.000 1.102 570 K HN 0.576 nan 8.250 nan 0.000 0.469 571 L N 2.971 124.136 121.223 -0.097 0.000 2.362 571 L HA 0.458 4.797 4.340 -0.003 0.000 0.271 571 L C -0.457 176.364 176.870 -0.081 0.000 1.002 571 L CA -1.001 53.787 54.840 -0.086 0.000 0.818 571 L CB 2.300 44.280 42.059 -0.131 0.000 1.298 571 L HN 0.572 nan 8.230 nan 0.000 0.420 572 T N 3.944 118.468 114.554 -0.050 0.000 2.833 572 T HA 0.525 4.873 4.350 -0.003 0.000 0.297 572 T C -0.474 174.205 174.700 -0.036 0.000 1.015 572 T CA -0.459 61.614 62.100 -0.045 0.000 0.963 572 T CB 1.085 69.936 68.868 -0.028 0.000 0.955 572 T HN 0.142 nan 8.240 nan 0.000 0.449 573 L N 3.464 124.660 121.223 -0.045 0.000 2.317 573 L HA 0.549 4.887 4.340 -0.003 0.000 0.281 573 L C 0.841 177.693 176.870 -0.031 0.000 1.024 573 L CA -0.645 54.178 54.840 -0.028 0.000 0.810 573 L CB 1.558 43.601 42.059 -0.027 0.000 1.240 573 L HN 0.531 nan 8.230 nan 0.000 0.427 574 R N 2.448 122.938 120.500 -0.016 0.000 2.652 574 R HA 0.287 4.625 4.340 -0.003 0.000 0.271 574 R C -2.194 174.083 176.300 -0.039 0.000 1.129 574 R CA -1.611 54.475 56.100 -0.024 0.000 1.200 574 R CB -0.264 30.032 30.300 -0.007 0.000 1.146 574 R HN 0.347 nan 8.270 nan 0.000 0.581 575 P HA -0.124 nan 4.420 nan 0.000 0.261 575 P C -0.934 176.358 177.300 -0.013 0.000 1.183 575 P CA 0.896 63.908 63.100 -0.146 0.000 0.761 575 P CB -0.023 31.600 31.700 -0.128 0.000 0.785 576 Y N -0.854 119.446 120.300 -0.001 0.000 3.721 576 Y HA -0.298 4.251 4.550 -0.003 0.000 0.218 576 Y C 0.983 176.898 175.900 0.026 0.000 1.188 576 Y CA 0.115 58.223 58.100 0.014 0.000 1.607 576 Y CB -1.507 36.958 38.460 0.008 0.000 1.496 576 Y HN 0.459 nan 8.280 nan 0.000 0.626 577 Q N 0.955 120.835 119.800 0.133 0.000 2.227 577 Q HA 0.626 4.964 4.340 -0.003 0.000 0.245 577 Q C 0.331 176.406 176.000 0.126 0.000 0.926 577 Q CA 0.012 55.877 55.803 0.102 0.000 0.895 577 Q CB 1.664 30.434 28.738 0.053 0.000 1.230 577 Q HN 0.344 nan 8.270 nan 0.000 0.450 578 G N 2.848 111.731 108.800 0.138 0.000 2.617 578 G HA2 0.590 4.548 3.960 -0.003 0.000 0.306 578 G HA3 0.590 4.548 3.960 -0.003 0.000 0.306 578 G C -1.219 173.762 174.900 0.135 0.000 1.360 578 G CA -0.666 44.531 45.100 0.162 0.000 0.983 578 G HN 0.584 nan 8.290 nan 0.000 0.496 579 M N 1.363 121.025 119.600 0.104 0.000 2.508 579 M HA 0.520 4.998 4.480 -0.003 0.000 0.327 579 M C -0.806 175.551 176.300 0.095 0.000 1.160 579 M CA -0.591 54.765 55.300 0.094 0.000 0.980 579 M CB 2.672 35.310 32.600 0.063 0.000 1.693 579 M HN 0.288 nan 8.290 nan 0.000 0.452 580 I N 4.379 125.016 120.570 0.113 0.000 2.502 580 I HA 0.284 4.452 4.170 -0.003 0.000 0.276 580 I C -1.098 175.125 176.117 0.176 0.000 1.057 580 I CA -0.233 61.136 61.300 0.115 0.000 1.163 580 I CB 0.674 38.731 38.000 0.095 0.000 1.288 580 I HN 0.484 nan 8.210 nan 0.000 0.479 581 L N 4.933 126.282 121.223 0.210 0.000 2.278 581 L HA 0.269 4.608 4.340 -0.003 0.000 0.287 581 L C -0.604 176.561 176.870 0.492 0.000 1.072 581 L CA -0.238 54.796 54.840 0.324 0.000 0.819 581 L CB 0.283 42.497 42.059 0.258 0.000 1.176 581 L HN 0.532 nan 8.230 nan 0.000 0.435 582 W N 5.441 126.897 121.300 0.260 0.000 2.390 582 W HA 0.244 4.902 4.660 -0.003 0.000 0.312 582 W C 1.102 177.670 176.519 0.081 0.000 1.123 582 W CA -1.084 56.367 57.345 0.177 0.000 1.202 582 W CB 0.757 30.257 29.460 0.068 0.000 1.251 582 W HN 0.625 nan 8.180 nan 0.000 0.511 583 N N 3.945 122.424 118.700 -0.368 0.000 2.515 583 N HA 0.002 4.741 4.740 -0.003 0.000 0.191 583 N C 1.308 176.081 175.510 -1.228 0.000 1.182 583 N CA 0.964 53.414 53.050 -1.000 0.000 0.879 583 N CB -0.368 37.773 38.487 -0.576 0.000 0.984 583 N HN 0.979 nan 8.380 nan 0.000 0.453 584 G N 0.086 107.588 108.800 -2.164 0.000 2.189 584 G HA2 -0.346 3.613 3.960 -0.003 0.000 0.267 584 G HA3 -0.346 3.613 3.960 -0.003 0.000 0.267 584 G C 0.259 174.510 174.900 -1.081 0.000 0.975 584 G CA 0.644 44.310 45.100 -2.390 0.000 0.644 584 G HN 0.544 nan 8.290 nan 0.000 0.537 585 R N 0.000 120.192 120.500 -0.513 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 56.068 56.100 -0.054 0.000 0.921 585 R CB 0.000 30.218 30.300 -0.136 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535