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 1jf5_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 TNYETAAVQV 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 0.000 176.220 176.300 -0.133 0.000 1.140 1 M CA 0.000 55.243 55.300 -0.096 0.000 0.988 1 M CB 0.000 32.538 32.600 -0.103 0.000 1.302 2 L N 3.852 125.002 121.223 -0.121 0.000 2.462 2 L HA 0.334 4.672 4.340 -0.003 0.000 0.283 2 L C 0.449 177.199 176.870 -0.201 0.000 1.166 2 L CA 0.147 54.907 54.840 -0.133 0.000 0.964 2 L CB 0.161 42.167 42.059 -0.089 0.000 1.294 2 L HN 0.927 nan 8.230 nan 0.000 0.449 3 L N 2.221 123.244 121.223 -0.333 0.000 2.187 3 L HA -0.181 4.157 4.340 -0.003 0.000 0.213 3 L C 1.511 178.146 176.870 -0.393 0.000 1.100 3 L CA 0.987 55.427 54.840 -0.665 0.000 0.765 3 L CB -0.321 41.158 42.059 -0.967 0.000 0.904 3 L HN 0.604 nan 8.230 nan 0.000 0.437 4 E N 0.039 120.148 120.200 -0.151 0.000 2.516 4 E HA -0.048 4.300 4.350 -0.003 0.000 0.199 4 E C 1.693 178.327 176.600 0.056 0.000 1.069 4 E CA 0.754 57.159 56.400 0.009 0.000 0.876 4 E CB 0.009 29.720 29.700 0.018 0.000 0.843 4 E HN 0.419 nan 8.360 nan 0.000 0.530 5 A N 0.047 122.884 122.820 0.027 0.000 2.390 5 A HA 0.245 4.563 4.320 -0.003 0.000 0.232 5 A C 0.570 178.253 177.584 0.165 0.000 1.233 5 A CA -0.313 51.804 52.037 0.134 0.000 0.907 5 A CB 0.148 19.208 19.000 0.100 0.000 0.967 5 A HN 0.093 nan 8.150 nan 0.000 0.512 6 I N 0.187 120.794 120.570 0.062 0.000 2.395 6 I HA 0.408 4.576 4.170 -0.003 0.000 0.289 6 I C -0.432 175.772 176.117 0.145 0.000 1.023 6 I CA -0.234 61.085 61.300 0.032 0.000 1.350 6 I CB 0.929 38.833 38.000 -0.161 0.000 1.409 6 I HN 0.291 nan 8.210 nan 0.000 0.507 7 F N 6.238 126.184 119.950 -0.006 0.000 2.588 7 F HA 0.663 5.188 4.527 -0.003 0.000 0.310 7 F C -0.857 175.004 175.800 0.101 0.000 1.082 7 F CA -0.446 57.572 58.000 0.031 0.000 0.929 7 F CB 1.635 40.552 39.000 -0.138 0.000 1.254 7 F HN 0.548 nan 8.300 nan 0.000 0.455 8 H N 2.028 120.241 119.070 -1.428 0.000 3.024 8 H HA 0.505 5.059 4.556 -0.003 0.000 0.324 8 H C -2.073 172.568 175.328 -1.144 0.000 1.347 8 H CA -0.397 54.921 56.048 -1.216 0.000 1.182 8 H CB 1.773 31.206 29.762 -0.547 0.000 1.889 8 H HN 0.718 nan 8.280 nan 0.000 0.528 9 E N 2.195 121.327 120.200 -1.780 0.000 2.354 9 E HA 0.573 4.921 4.350 -0.003 0.000 0.283 9 E C -1.342 174.758 176.600 -0.832 0.000 0.938 9 E CA -0.953 54.867 56.400 -0.967 0.000 0.777 9 E CB 1.680 31.164 29.700 -0.361 0.000 1.222 9 E HN 0.681 nan 8.360 nan 0.000 0.423 10 A N 4.076 126.690 122.820 -0.343 0.000 2.900 10 A HA 0.170 4.488 4.320 -0.003 0.000 0.246 10 A C 0.090 177.797 177.584 0.204 0.000 1.725 10 A CA 0.742 52.836 52.037 0.094 0.000 1.400 10 A CB -0.932 18.208 19.000 0.233 0.000 0.973 10 A HN 0.629 nan 8.150 nan 0.000 0.635 11 K N -2.564 117.930 120.400 0.156 0.000 2.652 11 K HA 0.584 4.902 4.320 -0.003 0.000 0.276 11 K C 0.796 177.554 176.600 0.264 0.000 0.934 11 K CA -0.424 56.008 56.287 0.241 0.000 0.719 11 K CB -0.518 32.062 32.500 0.133 0.000 1.387 11 K HN 1.205 nan 8.250 nan 0.000 0.338 12 G N 0.804 109.753 108.800 0.248 0.000 2.684 12 G HA2 -0.368 3.590 3.960 -0.003 0.000 0.332 12 G HA3 -0.368 3.590 3.960 -0.003 0.000 0.332 12 G C 0.649 175.771 174.900 0.370 0.000 1.306 12 G CA 0.995 46.259 45.100 0.274 0.000 1.002 12 G HN 0.674 nan 8.290 nan 0.000 0.545 13 S N -0.148 115.810 115.700 0.430 0.000 2.575 13 S HA 0.306 4.774 4.470 -0.003 0.000 0.215 13 S C 1.236 175.968 174.600 0.219 0.000 0.966 13 S CA 0.994 59.419 58.200 0.375 0.000 0.911 13 S CB 0.066 63.423 63.200 0.261 0.000 0.780 13 S HN 0.485 nan 8.310 nan 0.000 0.514 14 Y N 1.137 121.560 120.300 0.206 0.000 2.442 14 Y HA 0.581 5.129 4.550 -0.004 0.000 0.250 14 Y C 0.751 176.679 175.900 0.047 0.000 1.113 14 Y CA -0.611 57.547 58.100 0.097 0.000 1.273 14 Y CB 0.564 39.006 38.460 -0.029 0.000 1.138 14 Y HN 0.188 nan 8.280 nan 0.000 0.522 15 A N 0.378 123.288 122.820 0.150 0.000 2.497 15 A HA 0.672 4.990 4.320 -0.003 0.000 0.280 15 A C -1.832 175.791 177.584 0.066 0.000 1.065 15 A CA -0.553 51.500 52.037 0.028 0.000 0.781 15 A CB 0.032 19.174 19.000 0.236 0.000 1.289 15 A HN 0.232 nan 8.150 nan 0.000 0.415 16 Y N 0.775 120.991 120.300 -0.140 0.000 2.558 16 Y HA 0.815 5.362 4.550 -0.003 0.000 0.333 16 Y C -3.349 172.413 175.900 -0.230 0.000 1.125 16 Y CA -2.849 55.170 58.100 -0.135 0.000 1.039 16 Y CB 1.179 39.659 38.460 0.033 0.000 1.331 16 Y HN 0.374 nan 8.280 nan 0.000 0.456 17 P HA 0.315 nan 4.420 nan 0.000 0.277 17 P C 0.294 177.668 177.300 0.124 0.000 1.240 17 P CA -0.284 62.799 63.100 -0.028 0.000 0.798 17 P CB 2.209 33.891 31.700 -0.030 0.000 0.979 18 I N -0.978 119.618 120.570 0.042 0.000 4.154 18 I HA 0.262 4.430 4.170 -0.003 0.000 0.334 18 I C 0.202 176.334 176.117 0.025 0.000 1.371 18 I CA -0.239 61.099 61.300 0.063 0.000 1.110 18 I CB 0.350 38.370 38.000 0.033 0.000 1.085 18 I HN 0.349 nan 8.210 nan 0.000 0.398 19 S N -0.762 114.942 115.700 0.006 0.000 2.655 19 S HA 0.250 4.718 4.470 -0.003 0.000 0.266 19 S C 0.274 174.867 174.600 -0.012 0.000 1.149 19 S CA -0.478 57.723 58.200 0.002 0.000 0.818 19 S CB 1.558 64.751 63.200 -0.012 0.000 1.130 19 S HN 0.206 nan 8.310 nan 0.000 0.476 20 E N 0.234 120.428 120.200 -0.010 0.000 2.204 20 E HA -0.079 4.269 4.350 -0.003 0.000 0.194 20 E C 1.203 177.760 176.600 -0.071 0.000 0.989 20 E CA 1.689 58.072 56.400 -0.030 0.000 0.824 20 E CB -0.071 29.621 29.700 -0.013 0.000 0.756 20 E HN 0.769 nan 8.360 nan 0.000 0.477 21 T N -2.469 112.048 114.554 -0.061 0.000 3.129 21 T HA 0.218 4.566 4.350 -0.003 0.000 0.267 21 T C 0.129 174.774 174.700 -0.090 0.000 1.018 21 T CA -0.519 61.537 62.100 -0.075 0.000 0.903 21 T CB 0.368 69.208 68.868 -0.047 0.000 1.067 21 T HN -0.076 nan 8.240 nan 0.000 0.549 22 Q N 1.120 120.858 119.800 -0.102 0.000 2.310 22 Q HA 0.633 4.971 4.340 -0.003 0.000 0.270 22 Q C -1.841 174.047 176.000 -0.188 0.000 1.025 22 Q CA -0.855 54.868 55.803 -0.134 0.000 0.772 22 Q CB 2.813 31.494 28.738 -0.095 0.000 1.253 22 Q HN 0.280 nan 8.270 nan 0.000 0.450 23 L N 2.556 123.610 121.223 -0.280 0.000 2.305 23 L HA 0.539 4.877 4.340 -0.003 0.000 0.284 23 L C -0.853 175.760 176.870 -0.428 0.000 1.013 23 L CA -0.440 54.167 54.840 -0.388 0.000 0.819 23 L CB 1.199 42.974 42.059 -0.473 0.000 1.227 23 L HN 0.460 nan 8.230 nan 0.000 0.417 24 R N 3.875 124.085 120.500 -0.484 0.000 2.459 24 R HA 0.771 5.109 4.340 -0.003 0.000 0.281 24 R C -1.425 174.520 176.300 -0.591 0.000 1.050 24 R CA -0.287 55.483 56.100 -0.552 0.000 1.055 24 R CB 1.330 31.190 30.300 -0.734 0.000 1.045 24 R HN 0.515 nan 8.270 nan 0.000 0.495 25 V N 0.769 120.429 119.914 -0.424 0.000 2.760 25 V HA 0.699 4.817 4.120 -0.003 0.000 0.309 25 V C -0.762 175.277 176.094 -0.091 0.000 1.077 25 V CA -0.991 61.152 62.300 -0.262 0.000 0.910 25 V CB 2.083 33.678 31.823 -0.380 0.000 1.008 25 V HN 0.791 nan 8.190 nan 0.000 0.424 26 R N 3.083 123.617 120.500 0.057 0.000 2.803 26 R HA 0.843 5.181 4.340 -0.003 0.000 0.276 26 R C -1.472 175.039 176.300 0.352 0.000 0.978 26 R CA -0.803 55.363 56.100 0.109 0.000 0.939 26 R CB 2.611 32.821 30.300 -0.149 0.000 1.179 26 R HN 0.855 nan 8.270 nan 0.000 0.472 27 L N 1.611 123.022 121.223 0.313 0.000 2.436 27 L HA 0.537 4.875 4.340 -0.003 0.000 0.268 27 L C -1.052 176.013 176.870 0.325 0.000 0.974 27 L CA -0.732 54.251 54.840 0.238 0.000 0.826 27 L CB 1.952 43.964 42.059 -0.079 0.000 1.291 27 L HN 0.559 nan 8.230 nan 0.000 0.406 28 R N 3.725 124.401 120.500 0.293 0.000 2.532 28 R HA 0.906 5.244 4.340 -0.003 0.000 0.295 28 R C -1.323 175.053 176.300 0.127 0.000 0.968 28 R CA -0.104 56.060 56.100 0.107 0.000 0.916 28 R CB 1.916 32.266 30.300 0.082 0.000 1.124 28 R HN 0.782 nan 8.270 nan 0.000 0.463 29 A N 3.059 125.968 122.820 0.148 0.000 2.602 29 A HA 0.319 4.637 4.320 -0.003 0.000 0.290 29 A C -1.409 176.307 177.584 0.221 0.000 1.114 29 A CA -0.850 51.304 52.037 0.195 0.000 0.683 29 A CB 1.262 20.363 19.000 0.168 0.000 1.281 29 A HN 0.710 nan 8.150 nan 0.000 0.416 30 K N 1.008 121.466 120.400 0.098 0.000 2.489 30 K HA 0.035 4.353 4.320 -0.003 0.000 0.278 30 K C 0.103 176.678 176.600 -0.042 0.000 1.000 30 K CA 0.076 56.320 56.287 -0.071 0.000 1.012 30 K CB 0.303 32.745 32.500 -0.097 0.000 0.903 30 K HN 0.622 nan 8.250 nan 0.000 0.485 31 K N 2.532 122.862 120.400 -0.117 0.000 2.430 31 K HA -0.095 4.223 4.320 -0.003 0.000 0.280 31 K C 0.646 177.233 176.600 -0.022 0.000 1.063 31 K CA 1.220 57.475 56.287 -0.052 0.000 1.071 31 K CB -0.133 32.319 32.500 -0.081 0.000 0.899 31 K HN 0.871 nan 8.250 nan 0.000 0.473 32 G N 3.960 112.780 108.800 0.033 0.000 2.241 32 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.244 32 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.244 32 G C 0.611 175.534 174.900 0.039 0.000 0.998 32 G CA 0.291 45.414 45.100 0.038 0.000 0.621 32 G HN 0.750 nan 8.290 nan 0.000 0.519 33 D N -0.005 120.413 120.400 0.031 0.000 2.178 33 D HA 0.148 4.786 4.640 -0.003 0.000 0.202 33 D C 1.264 177.575 176.300 0.019 0.000 0.974 33 D CA 1.333 55.338 54.000 0.007 0.000 0.841 33 D CB 0.214 41.002 40.800 -0.020 0.000 0.953 33 D HN 0.393 nan 8.370 nan 0.000 0.478 34 V N 0.931 120.893 119.914 0.079 0.000 2.495 34 V HA 0.189 4.307 4.120 -0.003 0.000 0.298 34 V C 1.168 177.317 176.094 0.093 0.000 1.031 34 V CA -0.511 61.800 62.300 0.018 0.000 0.871 34 V CB 2.253 34.015 31.823 -0.101 0.000 0.988 34 V HN -0.029 nan 8.190 nan 0.000 0.432 35 V N 1.830 121.746 119.914 0.003 0.000 3.635 35 V HA 0.492 4.610 4.120 -0.003 0.000 0.266 35 V C 0.591 176.684 176.094 -0.002 0.000 1.316 35 V CA 0.294 62.634 62.300 0.065 0.000 1.060 35 V CB 0.059 31.909 31.823 0.046 0.000 0.820 35 V HN 0.768 nan 8.190 nan 0.000 0.447 36 R N -0.215 120.198 120.500 -0.145 0.000 2.508 36 R HA 0.580 4.918 4.340 -0.003 0.000 0.283 36 R C -2.094 174.046 176.300 -0.267 0.000 1.120 36 R CA -0.169 55.838 56.100 -0.155 0.000 0.958 36 R CB 1.686 31.951 30.300 -0.059 0.000 1.215 36 R HN 0.361 nan 8.270 nan 0.000 0.427 37 C N 4.166 123.262 119.300 -0.339 0.000 2.322 37 C HA 0.576 5.034 4.460 -0.003 0.000 0.324 37 C C -0.499 174.466 174.990 -0.041 0.000 1.249 37 C CA -0.210 58.645 59.018 -0.272 0.000 1.453 37 C CB 0.871 28.253 27.740 -0.595 0.000 2.145 37 C HN 1.011 nan 8.230 nan 0.000 0.466 38 E N 3.889 124.105 120.200 0.026 0.000 2.288 38 E HA 0.758 5.106 4.350 -0.003 0.000 0.268 38 E C -1.626 175.009 176.600 0.058 0.000 0.885 38 E CA -0.540 55.895 56.400 0.058 0.000 0.767 38 E CB 2.095 31.833 29.700 0.062 0.000 1.220 38 E HN 0.539 nan 8.360 nan 0.000 0.427 39 V N 4.526 124.450 119.914 0.017 0.000 2.495 39 V HA 0.396 4.514 4.120 -0.003 0.000 0.298 39 V C -0.483 175.619 176.094 0.014 0.000 1.031 39 V CA -0.715 61.532 62.300 -0.090 0.000 0.871 39 V CB 1.400 33.078 31.823 -0.242 0.000 0.988 39 V HN 0.602 nan 8.190 nan 0.000 0.432 40 L N 6.499 127.709 121.223 -0.022 0.000 2.305 40 L HA 0.692 5.030 4.340 -0.003 0.000 0.284 40 L C -0.731 176.161 176.870 0.037 0.000 1.013 40 L CA -0.565 54.204 54.840 -0.118 0.000 0.819 40 L CB 1.164 43.142 42.059 -0.137 0.000 1.227 40 L HN 0.812 nan 8.230 nan 0.000 0.417 41 Y N 2.032 122.258 120.300 -0.123 0.000 2.677 41 Y HA 0.976 5.524 4.550 -0.003 0.000 0.334 41 Y C -0.685 175.188 175.900 -0.045 0.000 1.154 41 Y CA -1.089 56.985 58.100 -0.043 0.000 1.070 41 Y CB 1.813 40.265 38.460 -0.014 0.000 1.294 41 Y HN 0.620 nan 8.280 nan 0.000 0.475 42 A N 0.531 123.463 122.820 0.186 0.000 2.540 42 A HA 0.440 4.758 4.320 -0.003 0.000 0.291 42 A C -1.964 175.709 177.584 0.147 0.000 1.083 42 A CA -0.513 51.571 52.037 0.077 0.000 0.650 42 A CB 0.798 19.789 19.000 -0.015 0.000 1.292 42 A HN 0.922 nan 8.150 nan 0.000 0.435 43 D N -0.388 120.076 120.400 0.107 0.000 2.399 43 D HA 0.284 4.922 4.640 -0.003 0.000 0.241 43 D C 1.171 177.524 176.300 0.090 0.000 1.133 43 D CA 0.045 54.118 54.000 0.122 0.000 0.890 43 D CB 0.672 41.548 40.800 0.126 0.000 1.201 43 D HN 0.440 nan 8.370 nan 0.000 0.432 44 R N 1.895 122.440 120.500 0.075 0.000 2.152 44 R HA -0.154 4.184 4.340 -0.003 0.000 0.232 44 R C 0.702 176.876 176.300 -0.210 0.000 1.117 44 R CA 1.068 57.117 56.100 -0.086 0.000 0.981 44 R CB -0.172 30.032 30.300 -0.161 0.000 0.870 44 R HN 0.615 nan 8.270 nan 0.000 0.451 45 Y N -0.077 120.243 120.300 0.033 0.000 2.571 45 Y HA 0.328 4.876 4.550 -0.003 0.000 0.275 45 Y C 0.662 176.571 175.900 0.014 0.000 1.179 45 Y CA -0.639 57.474 58.100 0.022 0.000 1.242 45 Y CB 0.236 38.713 38.460 0.029 0.000 1.126 45 Y HN -0.011 nan 8.280 nan 0.000 0.524 46 A N 0.308 123.189 122.820 0.102 0.000 2.425 46 A HA 0.300 4.618 4.320 -0.003 0.000 0.249 46 A C 0.713 178.318 177.584 0.035 0.000 1.084 46 A CA -0.188 51.887 52.037 0.063 0.000 0.781 46 A CB 0.203 19.224 19.000 0.034 0.000 1.019 46 A HN 0.244 nan 8.150 nan 0.000 0.490 47 S N 2.114 117.832 115.700 0.030 0.000 2.568 47 S HA 0.214 4.682 4.470 -0.003 0.000 0.282 47 S C -1.325 173.274 174.600 -0.002 0.000 1.338 47 S CA -0.796 57.413 58.200 0.015 0.000 1.045 47 S CB 0.286 63.494 63.200 0.013 0.000 0.873 47 S HN 0.488 nan 8.310 nan 0.000 0.516 48 P HA -0.105 nan 4.420 nan 0.000 0.216 48 P C 0.385 177.673 177.300 -0.021 0.000 1.150 48 P CA 1.195 64.283 63.100 -0.021 0.000 0.837 48 P CB -0.022 31.665 31.700 -0.023 0.000 0.786 49 E N -0.914 119.278 120.200 -0.014 0.000 2.368 49 E HA 0.104 4.452 4.350 -0.003 0.000 0.188 49 E C 0.240 176.833 176.600 -0.012 0.000 1.061 49 E CA -0.029 56.364 56.400 -0.013 0.000 0.933 49 E CB -0.712 28.982 29.700 -0.009 0.000 1.091 49 E HN 0.280 nan 8.360 nan 0.000 0.458 50 E N 0.938 121.129 120.200 -0.014 0.000 2.283 50 E HA 0.131 4.479 4.350 -0.003 0.000 0.271 50 E C -0.653 175.931 176.600 -0.026 0.000 1.031 50 E CA -0.780 55.610 56.400 -0.016 0.000 0.868 50 E CB 0.811 30.503 29.700 -0.012 0.000 1.094 50 E HN 0.089 nan 8.360 nan 0.000 0.401 51 E N 2.288 122.473 120.200 -0.025 0.000 2.324 51 E HA 0.076 4.424 4.350 -0.003 0.000 0.271 51 E C -0.775 175.779 176.600 -0.075 0.000 1.028 51 E CA -0.007 56.376 56.400 -0.029 0.000 0.890 51 E CB 0.395 30.088 29.700 -0.010 0.000 1.004 51 E HN 0.326 nan 8.360 nan 0.000 0.431 52 L N 3.102 124.258 121.223 -0.112 0.000 2.436 52 L HA 0.347 4.685 4.340 -0.003 0.000 0.265 52 L C 0.513 177.162 176.870 -0.368 0.000 1.168 52 L CA -0.626 54.073 54.840 -0.235 0.000 0.815 52 L CB 0.917 42.824 42.059 -0.253 0.000 1.109 52 L HN 0.637 nan 8.230 nan 0.000 0.462 53 A N 2.643 125.127 122.820 -0.561 0.000 2.351 53 A HA 0.362 4.680 4.320 -0.003 0.000 0.257 53 A C -0.456 176.711 177.584 -0.694 0.000 1.087 53 A CA -0.278 51.340 52.037 -0.697 0.000 0.798 53 A CB 0.196 18.388 19.000 -1.347 0.000 1.033 53 A HN 0.719 nan 8.150 nan 0.000 0.488 54 H N -0.244 118.673 119.070 -0.255 0.000 2.524 54 H HA 0.658 5.212 4.556 -0.003 0.000 0.353 54 H C -0.510 174.845 175.328 0.045 0.000 1.136 54 H CA 0.101 56.104 56.048 -0.075 0.000 1.193 54 H CB 2.083 31.819 29.762 -0.043 0.000 1.558 54 H HN 0.858 nan 8.280 nan 0.000 0.515 55 A N 3.475 126.419 122.820 0.207 0.000 2.466 55 A HA 0.261 4.579 4.320 -0.003 0.000 0.284 55 A C -1.410 176.238 177.584 0.106 0.000 1.049 55 A CA -0.608 51.532 52.037 0.171 0.000 0.760 55 A CB 1.098 20.227 19.000 0.216 0.000 1.274 55 A HN 0.439 nan 8.150 nan 0.000 0.412 56 L N 2.621 123.896 121.223 0.087 0.000 2.331 56 L HA 0.655 4.993 4.340 -0.003 0.000 0.278 56 L C 0.602 177.518 176.870 0.077 0.000 1.106 56 L CA 0.320 55.205 54.840 0.075 0.000 0.824 56 L CB 1.155 43.254 42.059 0.066 0.000 1.142 56 L HN 0.890 nan 8.230 nan 0.000 0.443 57 A N 4.696 127.574 122.820 0.096 0.000 2.279 57 A HA 0.632 4.950 4.320 -0.003 0.000 0.306 57 A C 0.493 178.214 177.584 0.227 0.000 1.300 57 A CA -0.016 52.109 52.037 0.146 0.000 0.925 57 A CB -0.319 18.801 19.000 0.200 0.000 1.152 57 A HN 0.895 nan 8.150 nan 0.000 0.544 58 G N 1.437 110.347 108.800 0.184 0.000 2.569 58 G HA2 0.347 4.305 3.960 -0.003 0.000 0.249 58 G HA3 0.347 4.305 3.960 -0.003 0.000 0.249 58 G C 0.147 175.209 174.900 0.270 0.000 1.216 58 G CA -0.596 44.627 45.100 0.204 0.000 0.845 58 G HN 0.791 nan 8.290 nan 0.000 0.568 59 K N 1.310 121.850 120.400 0.233 0.000 2.338 59 K HA 0.313 4.630 4.320 -0.003 0.000 0.290 59 K C 1.229 177.783 176.600 -0.077 0.000 1.069 59 K CA 0.009 56.247 56.287 -0.082 0.000 0.941 59 K CB 0.549 32.965 32.500 -0.141 0.000 1.023 59 K HN 0.397 nan 8.250 nan 0.000 0.477 60 A N 3.817 126.580 122.820 -0.095 0.000 2.119 60 A HA 0.162 4.480 4.320 -0.003 0.000 0.217 60 A C 0.835 178.389 177.584 -0.050 0.000 1.153 60 A CA 1.150 53.156 52.037 -0.051 0.000 0.692 60 A CB -0.177 18.795 19.000 -0.047 0.000 0.799 60 A HN 0.930 nan 8.150 nan 0.000 0.458 61 G N -2.899 105.870 108.800 -0.053 0.000 2.356 61 G HA2 0.439 4.397 3.960 -0.003 0.000 0.300 61 G HA3 0.439 4.397 3.960 -0.003 0.000 0.300 61 G C -1.023 173.924 174.900 0.079 0.000 1.331 61 G CA -0.054 45.047 45.100 0.002 0.000 0.905 61 G HN 0.696 nan 8.290 nan 0.000 0.587 62 S N -0.081 115.681 115.700 0.103 0.000 2.556 62 S HA 0.789 5.257 4.470 -0.003 0.000 0.271 62 S C -0.852 173.840 174.600 0.153 0.000 1.135 62 S CA -0.347 57.950 58.200 0.162 0.000 0.858 62 S CB 2.313 65.546 63.200 0.055 0.000 1.114 62 S HN 1.134 nan 8.310 nan 0.000 0.468 63 D N 0.056 120.588 120.400 0.221 0.000 2.726 63 D HA 0.344 4.982 4.640 -0.003 0.000 0.241 63 D C 0.951 177.296 176.300 0.074 0.000 1.150 63 D CA -0.598 53.487 54.000 0.142 0.000 1.089 63 D CB -0.192 40.754 40.800 0.243 0.000 1.260 63 D HN 0.404 nan 8.370 nan 0.000 0.637 64 E N -0.505 119.728 120.200 0.053 0.000 2.070 64 E HA -0.193 4.155 4.350 -0.003 0.000 0.197 64 E C 1.571 178.153 176.600 -0.031 0.000 1.004 64 E CA 1.407 57.810 56.400 0.005 0.000 0.805 64 E CB 0.143 29.847 29.700 0.008 0.000 0.744 64 E HN 0.350 nan 8.360 nan 0.000 0.451 65 R N -2.246 118.230 120.500 -0.041 0.000 2.453 65 R HA 0.190 4.528 4.340 -0.003 0.000 0.233 65 R C -0.069 175.904 176.300 -0.546 0.000 0.895 65 R CA -0.176 55.732 56.100 -0.321 0.000 1.028 65 R CB 0.742 30.734 30.300 -0.513 0.000 1.255 65 R HN -0.074 nan 8.270 nan 0.000 0.571 66 F N -0.066 119.840 119.950 -0.073 0.000 2.598 66 F HA 0.423 4.948 4.527 -0.003 0.000 0.327 66 F C -0.122 175.540 175.800 -0.230 0.000 1.057 66 F CA -1.312 56.573 58.000 -0.192 0.000 0.957 66 F CB 1.160 39.937 39.000 -0.372 0.000 1.278 66 F HN -0.311 nan 8.300 nan 0.000 0.484 67 D N -0.299 120.060 120.400 -0.069 0.000 2.252 67 D HA 0.426 5.063 4.640 -0.003 0.000 0.245 67 D C -1.491 174.607 176.300 -0.337 0.000 1.009 67 D CA -0.214 53.698 54.000 -0.147 0.000 0.870 67 D CB 1.357 42.099 40.800 -0.097 0.000 1.251 67 D HN 0.267 nan 8.370 nan 0.000 0.460 68 Y N 0.760 120.903 120.300 -0.262 0.000 2.361 68 Y HA 0.477 5.024 4.550 -0.004 0.000 0.337 68 Y C -0.615 175.048 175.900 -0.393 0.000 0.965 68 Y CA -0.871 57.132 58.100 -0.162 0.000 1.091 68 Y CB 1.079 39.492 38.460 -0.080 0.000 1.182 68 Y HN 0.179 nan 8.280 nan 0.000 0.450 69 F N 1.455 121.519 119.950 0.190 0.000 2.492 69 F HA 0.559 5.084 4.527 -0.003 0.000 0.327 69 F C 0.030 175.888 175.800 0.096 0.000 1.079 69 F CA -0.915 57.158 58.000 0.123 0.000 0.967 69 F CB 1.884 40.945 39.000 0.101 0.000 1.169 69 F HN 0.382 nan 8.300 nan 0.000 0.472 70 E N 1.314 121.645 120.200 0.219 0.000 2.292 70 E HA 0.791 5.138 4.350 -0.003 0.000 0.272 70 E C -1.751 174.882 176.600 0.055 0.000 0.881 70 E CA -0.837 55.614 56.400 0.084 0.000 0.754 70 E CB 2.178 31.880 29.700 0.004 0.000 1.201 70 E HN 0.752 nan 8.360 nan 0.000 0.425 71 A N 3.202 126.007 122.820 -0.025 0.000 2.539 71 A HA 0.664 4.982 4.320 -0.003 0.000 0.296 71 A C -1.943 175.539 177.584 -0.169 0.000 1.073 71 A CA -0.692 51.304 52.037 -0.069 0.000 0.700 71 A CB 1.481 20.443 19.000 -0.062 0.000 1.296 71 A HN 0.444 nan 8.150 nan 0.000 0.405 72 L N 1.809 122.939 121.223 -0.155 0.000 2.316 72 L HA 0.656 4.994 4.340 -0.003 0.000 0.280 72 L C -1.621 175.108 176.870 -0.236 0.000 1.006 72 L CA -0.415 54.305 54.840 -0.199 0.000 0.836 72 L CB 1.003 42.985 42.059 -0.128 0.000 1.221 72 L HN 0.534 nan 8.230 nan 0.000 0.418 73 L N 4.880 125.864 121.223 -0.397 0.000 2.276 73 L HA 0.419 4.757 4.340 -0.003 0.000 0.286 73 L C 0.260 176.905 176.870 -0.375 0.000 1.061 73 L CA 0.006 54.474 54.840 -0.620 0.000 0.807 73 L CB 0.862 42.298 42.059 -1.038 0.000 1.177 73 L HN 0.487 nan 8.230 nan 0.000 0.429 74 E N 2.548 122.660 120.200 -0.147 0.000 2.152 74 E HA 0.191 4.539 4.350 -0.003 0.000 0.285 74 E C -0.879 175.745 176.600 0.039 0.000 1.043 74 E CA -0.016 56.378 56.400 -0.011 0.000 0.839 74 E CB 0.959 30.708 29.700 0.081 0.000 1.069 74 E HN 0.490 nan 8.360 nan 0.000 0.399 75 C N 2.956 122.235 119.300 -0.035 0.000 2.787 75 C HA 0.115 4.573 4.460 -0.003 0.000 0.265 75 C C 1.878 176.856 174.990 -0.020 0.000 1.190 75 C CA -0.642 58.369 59.018 -0.011 0.000 1.616 75 C CB -0.947 26.746 27.740 -0.077 0.000 1.732 75 C HN 0.760 nan 8.230 nan 0.000 0.433 76 S N 1.091 116.797 115.700 0.010 0.000 2.399 76 S HA -0.195 4.273 4.470 -0.003 0.000 0.231 76 S C 1.724 176.315 174.600 -0.014 0.000 1.022 76 S CA 2.212 60.410 58.200 -0.002 0.000 0.983 76 S CB -0.612 62.596 63.200 0.013 0.000 0.803 76 S HN 0.812 nan 8.310 nan 0.000 0.480 77 T N -1.120 113.433 114.554 -0.002 0.000 3.113 77 T HA 0.207 4.555 4.350 -0.003 0.000 0.256 77 T C 0.728 175.381 174.700 -0.078 0.000 1.131 77 T CA 0.591 62.689 62.100 -0.004 0.000 1.074 77 T CB -0.755 68.140 68.868 0.045 0.000 0.944 77 T HN 0.594 nan 8.240 nan 0.000 0.516 78 K N 0.001 120.322 120.400 -0.131 0.000 3.407 78 K HA -0.162 4.156 4.320 -0.003 0.000 0.312 78 K C -0.393 176.016 176.600 -0.319 0.000 1.302 78 K CA 0.812 56.922 56.287 -0.297 0.000 0.931 78 K CB -1.310 30.869 32.500 -0.535 0.000 1.257 78 K HN 0.553 nan 8.250 nan 0.000 0.454 79 R N 0.238 120.685 120.500 -0.089 0.000 2.574 79 R HA 0.657 4.995 4.340 -0.003 0.000 0.288 79 R C -1.227 175.132 176.300 0.097 0.000 1.004 79 R CA -0.821 55.306 56.100 0.044 0.000 0.895 79 R CB 2.778 33.181 30.300 0.171 0.000 1.191 79 R HN -0.009 nan 8.270 nan 0.000 0.444 80 V N 2.563 122.560 119.914 0.139 0.000 3.048 80 V HA 0.553 4.671 4.120 -0.003 0.000 0.303 80 V C -1.669 174.547 176.094 0.203 0.000 1.214 80 V CA -0.747 61.655 62.300 0.170 0.000 0.984 80 V CB 2.363 34.261 31.823 0.126 0.000 1.054 80 V HN 0.827 nan 8.190 nan 0.000 0.430 81 K N 5.146 125.649 120.400 0.173 0.000 2.318 81 K HA 0.836 5.154 4.320 -0.003 0.000 0.249 81 K C -1.709 174.979 176.600 0.147 0.000 0.942 81 K CA -0.673 55.644 56.287 0.050 0.000 0.808 81 K CB 2.263 34.742 32.500 -0.036 0.000 1.189 81 K HN 0.846 nan 8.250 nan 0.000 0.428 82 Y N -1.932 118.380 120.300 0.021 0.000 2.609 82 Y HA 0.685 5.233 4.550 -0.003 0.000 0.336 82 Y C -1.741 174.108 175.900 -0.085 0.000 1.129 82 Y CA -1.380 56.694 58.100 -0.045 0.000 1.040 82 Y CB 1.454 39.821 38.460 -0.155 0.000 1.310 82 Y HN 0.396 nan 8.280 nan 0.000 0.460 83 V N 2.822 122.748 119.914 0.019 0.000 2.841 83 V HA 0.638 4.755 4.120 -0.003 0.000 0.310 83 V C -1.730 174.347 176.094 -0.029 0.000 1.090 83 V CA -1.124 61.184 62.300 0.014 0.000 0.930 83 V CB 1.761 33.629 31.823 0.075 0.000 1.014 83 V HN 0.702 nan 8.190 nan 0.000 0.425 84 F N 6.198 126.266 119.950 0.197 0.000 2.394 84 F HA 0.597 5.122 4.527 -0.003 0.000 0.340 84 F C -0.043 175.802 175.800 0.076 0.000 1.105 84 F CA -0.503 57.596 58.000 0.164 0.000 1.124 84 F CB 1.652 40.817 39.000 0.275 0.000 1.145 84 F HN 0.347 nan 8.300 nan 0.000 0.505 85 L N 5.872 127.166 121.223 0.117 0.000 2.301 85 L HA 0.499 4.836 4.340 -0.003 0.000 0.278 85 L C -1.199 175.628 176.870 -0.072 0.000 1.022 85 L CA -0.648 54.085 54.840 -0.177 0.000 0.854 85 L CB 0.313 42.213 42.059 -0.265 0.000 1.226 85 L HN 0.442 nan 8.230 nan 0.000 0.429 86 L N 4.492 125.683 121.223 -0.053 0.000 2.295 86 L HA 0.590 4.928 4.340 -0.003 0.000 0.285 86 L C 0.029 176.844 176.870 -0.091 0.000 1.035 86 L CA -0.464 54.336 54.840 -0.067 0.000 0.806 86 L CB 1.561 43.604 42.059 -0.027 0.000 1.214 86 L HN 0.501 nan 8.230 nan 0.000 0.426 87 T N 1.486 115.977 114.554 -0.104 0.000 2.779 87 T HA 0.524 4.872 4.350 -0.003 0.000 0.280 87 T C 0.433 175.096 174.700 -0.061 0.000 0.987 87 T CA -0.552 61.505 62.100 -0.072 0.000 0.966 87 T CB 1.788 70.620 68.868 -0.060 0.000 0.933 87 T HN 0.752 nan 8.240 nan 0.000 0.442 88 G N 2.554 111.330 108.800 -0.040 0.000 2.535 88 G HA2 0.465 4.423 3.960 -0.003 0.000 0.303 88 G HA3 0.465 4.423 3.960 -0.003 0.000 0.303 88 G C -1.712 173.180 174.900 -0.012 0.000 1.237 88 G CA -1.733 43.350 45.100 -0.028 0.000 0.986 88 G HN 0.368 nan 8.290 nan 0.000 0.494 89 P HA -0.102 nan 4.420 nan 0.000 0.216 89 P C 1.255 178.556 177.300 0.002 0.000 1.153 89 P CA 1.254 64.356 63.100 0.004 0.000 0.858 89 P CB 0.161 31.863 31.700 0.004 0.000 0.789 90 Q N -1.210 118.589 119.800 -0.002 0.000 2.253 90 Q HA 0.302 4.639 4.340 -0.003 0.000 0.210 90 Q C 1.046 177.047 176.000 0.001 0.000 0.907 90 Q CA 0.449 56.252 55.803 -0.000 0.000 0.948 90 Q CB -0.425 28.311 28.738 -0.002 0.000 1.033 90 Q HN 0.197 nan 8.270 nan 0.000 0.471 91 G N 2.060 110.860 108.800 -0.000 0.000 2.168 91 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.263 91 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.263 91 G C 0.062 174.964 174.900 0.002 0.000 0.977 91 G CA 0.418 45.518 45.100 0.001 0.000 0.659 91 G HN 0.575 nan 8.290 nan 0.000 0.533 92 E N 0.270 120.470 120.200 -0.001 0.000 2.414 92 E HA 0.465 4.813 4.350 -0.003 0.000 0.263 92 E C 0.143 176.745 176.600 0.002 0.000 1.000 92 E CA 0.270 56.673 56.400 0.005 0.000 0.914 92 E CB 1.228 30.927 29.700 -0.002 0.000 0.948 92 E HN 1.091 nan 8.360 nan 0.000 0.444 93 A N 3.792 126.626 122.820 0.023 0.000 2.249 93 A HA 0.482 4.800 4.320 -0.003 0.000 0.314 93 A C -0.610 177.008 177.584 0.057 0.000 1.290 93 A CA -0.810 51.235 52.037 0.013 0.000 0.893 93 A CB 0.864 19.893 19.000 0.049 0.000 1.165 93 A HN 0.413 nan 8.150 nan 0.000 0.530 94 V N 3.403 123.326 119.914 0.014 0.000 2.487 94 V HA 0.332 4.450 4.120 -0.003 0.000 0.298 94 V C -1.046 175.122 176.094 0.123 0.000 1.028 94 V CA -0.577 61.796 62.300 0.123 0.000 0.860 94 V CB 1.014 32.893 31.823 0.094 0.000 0.991 94 V HN 0.772 nan 8.190 nan 0.000 0.427 95 Y N 3.844 124.278 120.300 0.224 0.000 2.310 95 Y HA 0.566 5.114 4.550 -0.003 0.000 0.326 95 Y C -0.278 175.864 175.900 0.403 0.000 1.151 95 Y CA -0.633 57.621 58.100 0.257 0.000 1.195 95 Y CB 1.468 40.023 38.460 0.159 0.000 1.210 95 Y HN 0.641 nan 8.280 nan 0.000 0.483 96 F N 2.321 122.466 119.950 0.326 0.000 2.536 96 F HA 0.752 5.278 4.527 -0.003 0.000 0.322 96 F C -0.132 175.805 175.800 0.230 0.000 1.144 96 F CA -0.366 57.757 58.000 0.205 0.000 0.924 96 F CB 1.022 40.187 39.000 0.275 0.000 1.181 96 F HN 0.588 nan 8.300 nan 0.000 0.438 97 G N 3.730 112.294 108.800 -0.394 0.000 2.788 97 G HA2 0.145 4.103 3.960 -0.003 0.000 0.293 97 G HA3 0.145 4.103 3.960 -0.003 0.000 0.293 97 G C -0.154 173.959 174.900 -1.312 0.000 1.392 97 G CA -0.505 44.142 45.100 -0.755 0.000 0.810 97 G HN 0.673 nan 8.290 nan 0.000 0.508 98 E N -0.912 118.284 120.200 -1.673 0.000 2.130 98 E HA -0.177 4.171 4.350 -0.003 0.000 0.196 98 E C 2.182 178.432 176.600 -0.584 0.000 0.998 98 E CA 2.043 57.668 56.400 -1.293 0.000 0.806 98 E CB -0.072 29.100 29.700 -0.879 0.000 0.738 98 E HN 0.450 nan 8.360 nan 0.000 0.459 99 T N -0.503 113.791 114.554 -0.434 0.000 2.821 99 T HA 0.118 4.466 4.350 -0.003 0.000 0.267 99 T C 0.855 175.452 174.700 -0.171 0.000 1.046 99 T CA 0.900 62.859 62.100 -0.235 0.000 1.139 99 T CB 0.133 68.897 68.868 -0.174 0.000 0.871 99 T HN 0.493 nan 8.240 nan 0.000 0.454 100 G N 0.110 108.779 108.800 -0.219 0.000 2.291 100 G HA2 0.307 4.265 3.960 -0.003 0.000 0.249 100 G HA3 0.307 4.265 3.960 -0.003 0.000 0.249 100 G C -1.720 173.096 174.900 -0.140 0.000 1.340 100 G CA -1.152 43.848 45.100 -0.166 0.000 1.017 100 G HN 0.179 nan 8.290 nan 0.000 0.470 101 F N 0.785 120.877 119.950 0.236 0.000 2.425 101 F HA 0.850 5.375 4.527 -0.003 0.000 0.331 101 F C 0.826 176.718 175.800 0.154 0.000 1.085 101 F CA -0.056 58.082 58.000 0.230 0.000 1.028 101 F CB 2.249 41.335 39.000 0.143 0.000 1.177 101 F HN 0.609 nan 8.300 nan 0.000 0.487 102 S N -0.047 115.875 115.700 0.369 0.000 2.586 102 S HA 0.541 5.009 4.470 -0.003 0.000 0.277 102 S C 0.131 174.886 174.600 0.260 0.000 1.131 102 S CA -0.089 58.253 58.200 0.238 0.000 0.848 102 S CB 1.080 64.360 63.200 0.133 0.000 1.091 102 S HN 0.826 nan 8.310 nan 0.000 0.453 103 A N 2.018 124.948 122.820 0.184 0.000 2.119 103 A HA 0.224 4.542 4.320 -0.003 0.000 0.217 103 A C 0.501 178.154 177.584 0.116 0.000 1.153 103 A CA 0.844 53.005 52.037 0.206 0.000 0.692 103 A CB -0.244 18.834 19.000 0.129 0.000 0.799 103 A HN 0.728 nan 8.150 nan 0.000 0.458 104 E N -0.695 119.495 120.200 -0.016 0.000 2.156 104 E HA 0.320 4.668 4.350 -0.003 0.000 0.279 104 E C 0.606 176.974 176.600 -0.386 0.000 0.965 104 E CA -0.595 55.684 56.400 -0.201 0.000 0.789 104 E CB 1.476 31.108 29.700 -0.112 0.000 1.098 104 E HN 0.394 nan 8.360 nan 0.000 0.397 105 R N 2.210 122.202 120.500 -0.847 0.000 2.094 105 R HA -0.213 4.125 4.340 -0.003 0.000 0.239 105 R C 2.074 178.200 176.300 -0.290 0.000 1.137 105 R CA 2.532 58.144 56.100 -0.814 0.000 0.943 105 R CB -0.242 29.575 30.300 -0.806 0.000 0.850 105 R HN 0.617 nan 8.270 nan 0.000 0.433 106 S N 0.391 115.953 115.700 -0.229 0.000 2.387 106 S HA -0.193 4.275 4.470 -0.003 0.000 0.230 106 S C 1.754 176.288 174.600 -0.110 0.000 1.035 106 S CA 1.623 59.739 58.200 -0.139 0.000 1.014 106 S CB -0.298 62.834 63.200 -0.112 0.000 0.836 106 S HN 0.427 nan 8.310 nan 0.000 0.466 107 K N 1.131 121.472 120.400 -0.099 0.000 2.439 107 K HA 0.269 4.587 4.320 -0.003 0.000 0.197 107 K C 2.085 178.656 176.600 -0.048 0.000 1.041 107 K CA 0.632 56.883 56.287 -0.059 0.000 0.970 107 K CB -0.257 32.224 32.500 -0.031 0.000 0.773 107 K HN 0.546 nan 8.250 nan 0.000 0.479 108 A N 1.073 123.862 122.820 -0.051 0.000 2.072 108 A HA 0.224 4.542 4.320 -0.003 0.000 0.216 108 A C 1.114 178.610 177.584 -0.148 0.000 1.156 108 A CA 0.902 52.915 52.037 -0.040 0.000 0.701 108 A CB -0.330 18.713 19.000 0.072 0.000 0.816 108 A HN 0.376 nan 8.150 nan 0.000 0.458 109 G N -1.787 106.925 108.800 -0.146 0.000 2.598 109 G HA2 0.046 4.004 3.960 -0.003 0.000 0.244 109 G HA3 0.046 4.004 3.960 -0.003 0.000 0.244 109 G C -0.194 174.561 174.900 -0.242 0.000 1.302 109 G CA 0.057 45.039 45.100 -0.197 0.000 0.903 109 G HN 1.576 nan 8.290 nan 0.000 0.575 110 V N -0.490 119.229 119.914 -0.325 0.000 3.048 110 V HA 0.678 4.796 4.120 -0.003 0.000 0.303 110 V C -0.584 175.215 176.094 -0.492 0.000 1.214 110 V CA -0.970 61.117 62.300 -0.354 0.000 0.984 110 V CB 1.734 33.426 31.823 -0.218 0.000 1.054 110 V HN 0.987 nan 8.190 nan 0.000 0.430 111 F N 3.270 122.908 119.950 -0.521 0.000 2.382 111 F HA 0.595 5.120 4.527 -0.003 0.000 0.331 111 F C 0.648 176.062 175.800 -0.644 0.000 1.121 111 F CA 0.154 57.779 58.000 -0.624 0.000 1.183 111 F CB 1.207 39.654 39.000 -0.920 0.000 1.207 111 F HN 0.403 nan 8.300 nan 0.000 0.555 112 Q N 1.773 121.497 119.800 -0.127 0.000 2.305 112 Q HA 0.213 4.551 4.340 -0.003 0.000 0.271 112 Q C -1.838 174.228 176.000 0.110 0.000 1.046 112 Q CA -0.869 54.907 55.803 -0.044 0.000 0.798 112 Q CB 2.705 31.405 28.738 -0.063 0.000 1.286 112 Q HN 0.591 nan 8.270 nan 0.000 0.435 113 Y N 1.601 121.974 120.300 0.121 0.000 2.593 113 Y HA 0.376 4.924 4.550 -0.003 0.000 0.331 113 Y C 0.871 176.833 175.900 0.104 0.000 0.986 113 Y CA -0.173 58.014 58.100 0.144 0.000 1.262 113 Y CB 0.462 39.028 38.460 0.175 0.000 1.098 113 Y HN 0.940 nan 8.280 nan 0.000 0.506 114 A N 4.999 127.779 122.820 -0.068 0.000 1.881 114 A HA -0.230 4.088 4.320 -0.003 0.000 0.219 114 A C -0.256 177.447 177.584 0.200 0.000 1.215 114 A CA 2.204 54.267 52.037 0.043 0.000 0.648 114 A CB -0.618 18.385 19.000 0.004 0.000 0.832 114 A HN 0.738 nan 8.150 nan 0.000 0.455 115 Y N -2.734 117.558 120.300 -0.013 0.000 2.521 115 Y HA 0.519 5.067 4.550 -0.003 0.000 0.328 115 Y C -1.319 174.581 175.900 -0.000 0.000 1.151 115 Y CA -1.098 56.997 58.100 -0.009 0.000 1.054 115 Y CB 1.179 39.579 38.460 -0.100 0.000 1.338 115 Y HN 0.149 nan 8.280 nan 0.000 0.453 116 I N 6.113 126.467 120.570 -0.361 0.000 2.307 116 I HA 0.257 4.425 4.170 -0.003 0.000 0.287 116 I C -0.922 175.102 176.117 -0.155 0.000 1.054 116 I CA -0.406 60.834 61.300 -0.100 0.000 1.218 116 I CB 0.427 38.354 38.000 -0.122 0.000 1.398 116 I HN 0.597 nan 8.210 nan 0.000 0.475 117 H N 4.795 124.032 119.070 0.277 0.000 2.489 117 H HA 0.245 4.799 4.556 -0.003 0.000 0.322 117 H C 1.194 176.611 175.328 0.148 0.000 1.091 117 H CA -0.732 55.468 56.048 0.252 0.000 1.291 117 H CB 1.125 31.019 29.762 0.220 0.000 1.436 117 H HN 0.487 nan 8.280 nan 0.000 0.480 118 R N 1.162 121.792 120.500 0.215 0.000 2.117 118 R HA -0.181 4.157 4.340 -0.003 0.000 0.243 118 R C 1.496 177.876 176.300 0.132 0.000 1.143 118 R CA 1.847 58.029 56.100 0.138 0.000 0.968 118 R CB -0.401 29.963 30.300 0.106 0.000 0.863 118 R HN 0.566 nan 8.270 nan 0.000 0.444 119 S N -0.018 115.770 115.700 0.148 0.000 2.507 119 S HA -0.073 4.395 4.470 -0.003 0.000 0.235 119 S C 1.265 175.915 174.600 0.082 0.000 0.988 119 S CA 1.062 59.318 58.200 0.092 0.000 0.944 119 S CB 0.138 63.376 63.200 0.064 0.000 0.762 119 S HN 0.573 nan 8.310 nan 0.000 0.526 120 E N 0.235 120.515 120.200 0.134 0.000 2.501 120 E HA 0.260 4.608 4.350 -0.003 0.000 0.201 120 E C -0.907 175.768 176.600 0.123 0.000 1.016 120 E CA -0.203 56.269 56.400 0.120 0.000 0.920 120 E CB 1.039 30.852 29.700 0.189 0.000 1.023 120 E HN 0.284 nan 8.360 nan 0.000 0.474 121 V N 2.475 122.463 119.914 0.122 0.000 2.427 121 V HA 0.018 4.136 4.120 -0.003 0.000 0.268 121 V C 0.078 176.265 176.094 0.156 0.000 1.046 121 V CA -0.302 62.078 62.300 0.134 0.000 0.970 121 V CB -0.161 31.725 31.823 0.105 0.000 1.001 121 V HN 0.177 nan 8.190 nan 0.000 0.476 122 F N 5.137 125.085 119.950 -0.004 0.000 2.514 122 F HA 0.094 4.618 4.527 -0.003 0.000 0.399 122 F C 0.841 176.617 175.800 -0.040 0.000 1.011 122 F CA 0.630 58.604 58.000 -0.043 0.000 1.109 122 F CB -0.054 38.876 39.000 -0.116 0.000 0.980 122 F HN 0.494 nan 8.300 nan 0.000 0.538 123 T N 4.175 118.945 114.554 0.359 0.000 2.848 123 T HA 0.539 4.887 4.350 -0.003 0.000 0.285 123 T C -0.151 174.657 174.700 0.181 0.000 0.995 123 T CA -0.748 61.472 62.100 0.200 0.000 0.970 123 T CB 1.523 70.452 68.868 0.102 0.000 0.976 123 T HN 0.649 nan 8.240 nan 0.000 0.441 124 T N 0.488 115.098 114.554 0.094 0.000 2.916 124 T HA 0.703 5.051 4.350 -0.003 0.000 0.292 124 T C -3.069 171.606 174.700 -0.043 0.000 1.055 124 T CA -2.605 59.515 62.100 0.033 0.000 1.009 124 T CB 1.149 70.010 68.868 -0.012 0.000 1.118 124 T HN 0.143 nan 8.240 nan 0.000 0.497 125 P HA 0.157 nan 4.420 nan 0.000 0.264 125 P C 0.884 178.039 177.300 -0.242 0.000 1.193 125 P CA -0.064 62.948 63.100 -0.147 0.000 0.763 125 P CB 0.504 32.059 31.700 -0.242 0.000 0.810 126 E N 2.892 123.038 120.200 -0.089 0.000 2.077 126 E HA -0.165 4.183 4.350 -0.003 0.000 0.193 126 E C 1.846 178.413 176.600 -0.055 0.000 0.989 126 E CA 1.426 57.794 56.400 -0.054 0.000 0.800 126 E CB -0.398 29.320 29.700 0.030 0.000 0.746 126 E HN 0.714 nan 8.360 nan 0.000 0.452 127 W N 0.650 121.951 121.300 0.001 0.000 2.374 127 W HA 0.053 4.711 4.660 -0.003 0.000 0.288 127 W C 1.684 178.209 176.519 0.010 0.000 1.218 127 W CA 0.981 58.324 57.345 -0.005 0.000 1.245 127 W CB -0.816 28.635 29.460 -0.015 0.000 1.126 127 W HN -0.039 nan 8.180 nan 0.000 0.545 128 A N 1.446 123.604 122.820 -1.103 0.000 2.119 128 A HA -0.083 4.235 4.320 -0.003 0.000 0.217 128 A C 2.035 179.384 177.584 -0.392 0.000 1.153 128 A CA 1.126 52.553 52.037 -1.018 0.000 0.692 128 A CB -0.579 17.697 19.000 -1.207 0.000 0.799 128 A HN 0.347 nan 8.150 nan 0.000 0.458 129 K N -0.121 120.117 120.400 -0.269 0.000 2.432 129 K HA -0.071 4.246 4.320 -0.003 0.000 0.196 129 K C 0.537 177.074 176.600 -0.104 0.000 1.038 129 K CA 1.319 57.508 56.287 -0.163 0.000 0.986 129 K CB 0.064 32.488 32.500 -0.128 0.000 0.782 129 K HN 0.846 nan 8.250 nan 0.000 0.485 130 E N -0.680 119.491 120.200 -0.048 0.000 3.067 130 E HA 0.275 4.623 4.350 -0.003 0.000 0.188 130 E C -0.548 176.114 176.600 0.104 0.000 0.964 130 E CA -0.474 55.934 56.400 0.012 0.000 1.286 130 E CB 0.794 30.531 29.700 0.061 0.000 1.051 130 E HN 0.032 nan 8.360 nan 0.000 0.465 131 A N 0.625 123.484 122.820 0.064 0.000 2.257 131 A HA 0.615 4.933 4.320 -0.003 0.000 0.289 131 A C -0.140 177.461 177.584 0.028 0.000 1.095 131 A CA -0.502 51.626 52.037 0.152 0.000 0.836 131 A CB 1.193 20.322 19.000 0.215 0.000 1.111 131 A HN 0.149 nan 8.150 nan 0.000 0.497 132 V N 2.794 122.745 119.914 0.061 0.000 2.462 132 V HA 0.235 4.353 4.120 -0.003 0.000 0.288 132 V C -0.765 175.313 176.094 -0.026 0.000 1.020 132 V CA -0.479 61.802 62.300 -0.031 0.000 0.857 132 V CB 1.050 32.878 31.823 0.008 0.000 1.013 132 V HN 0.669 nan 8.190 nan 0.000 0.431 133 I N 4.128 124.588 120.570 -0.182 0.000 2.472 133 I HA 0.343 4.511 4.170 -0.003 0.000 0.290 133 I C -0.454 175.633 176.117 -0.052 0.000 1.016 133 I CA -0.476 60.691 61.300 -0.221 0.000 1.348 133 I CB 0.827 38.387 38.000 -0.733 0.000 1.417 133 I HN 0.626 nan 8.210 nan 0.000 0.521 134 Y N 4.865 125.104 120.300 -0.102 0.000 2.332 134 Y HA 0.282 4.830 4.550 -0.003 0.000 0.326 134 Y C 0.238 176.106 175.900 -0.053 0.000 0.978 134 Y CA -0.622 57.454 58.100 -0.040 0.000 1.205 134 Y CB 1.148 39.585 38.460 -0.039 0.000 1.131 134 Y HN 0.592 nan 8.280 nan 0.000 0.462 135 Q N 6.332 126.009 119.800 -0.204 0.000 2.293 135 Q HA 0.438 4.776 4.340 -0.003 0.000 0.263 135 Q C -1.276 174.559 176.000 -0.275 0.000 1.002 135 Q CA -0.071 55.691 55.803 -0.068 0.000 0.910 135 Q CB 0.580 29.475 28.738 0.262 0.000 1.185 135 Q HN 0.757 nan 8.270 nan 0.000 0.401 136 I N 4.487 124.797 120.570 -0.432 0.000 2.406 136 I HA 0.248 4.416 4.170 -0.003 0.000 0.290 136 I C -0.885 175.060 176.117 -0.288 0.000 0.999 136 I CA -0.775 60.225 61.300 -0.501 0.000 1.124 136 I CB 1.327 38.798 38.000 -0.881 0.000 1.289 136 I HN 0.648 nan 8.210 nan 0.000 0.441 137 F N 9.499 129.216 119.950 -0.388 0.000 2.309 137 F HA 0.364 4.889 4.527 -0.003 0.000 0.366 137 F C -1.336 174.359 175.800 -0.176 0.000 1.104 137 F CA -1.909 55.962 58.000 -0.215 0.000 1.179 137 F CB 0.849 39.817 39.000 -0.053 0.000 1.437 137 F HN 0.342 nan 8.300 nan 0.000 0.528 138 P HA -0.323 nan 4.420 nan 0.000 0.219 138 P C 1.317 178.635 177.300 0.030 0.000 1.161 138 P CA 1.639 64.598 63.100 -0.236 0.000 0.909 138 P CB 0.247 31.435 31.700 -0.854 0.000 0.793 139 E N -0.574 119.626 120.200 0.001 0.000 2.209 139 E HA -0.167 4.181 4.350 -0.003 0.000 0.196 139 E C 1.685 178.452 176.600 0.279 0.000 0.993 139 E CA 0.954 57.520 56.400 0.278 0.000 0.819 139 E CB -0.025 29.809 29.700 0.222 0.000 0.745 139 E HN 0.235 nan 8.360 nan 0.000 0.477 140 R N -1.444 119.184 120.500 0.213 0.000 2.472 140 R HA 0.115 4.453 4.340 -0.003 0.000 0.279 140 R C 1.644 178.008 176.300 0.106 0.000 0.953 140 R CA -0.230 55.928 56.100 0.098 0.000 1.088 140 R CB -0.355 30.041 30.300 0.160 0.000 1.197 140 R HN 0.167 nan 8.270 nan 0.000 0.536 141 F N 1.208 121.174 119.950 0.027 0.000 2.123 141 F HA 0.274 4.799 4.527 -0.004 0.000 0.289 141 F C 0.327 176.474 175.800 0.577 0.000 1.099 141 F CA 0.622 58.699 58.000 0.128 0.000 1.234 141 F CB 0.459 39.480 39.000 0.035 0.000 1.034 141 F HN -0.058 nan 8.300 nan 0.000 0.479 142 A N 0.545 123.657 122.820 0.487 0.000 2.512 142 A HA 0.284 4.602 4.320 -0.003 0.000 0.294 142 A C -1.643 175.971 177.584 0.050 0.000 1.054 142 A CA -0.711 51.389 52.037 0.104 0.000 0.756 142 A CB 0.301 19.205 19.000 -0.160 0.000 1.293 142 A HN 0.187 nan 8.150 nan 0.000 0.395 143 N N 1.859 120.406 118.700 -0.255 0.000 2.500 143 N HA 0.326 5.064 4.740 -0.003 0.000 0.236 143 N C 1.027 176.445 175.510 -0.154 0.000 1.022 143 N CA 0.701 53.699 53.050 -0.086 0.000 0.935 143 N CB 1.408 39.879 38.487 -0.026 0.000 1.147 143 N HN 0.827 nan 8.380 nan 0.000 0.512 144 G N 1.331 110.088 108.800 -0.073 0.000 2.838 144 G HA2 -0.057 3.901 3.960 -0.003 0.000 0.210 144 G HA3 -0.057 3.901 3.960 -0.003 0.000 0.210 144 G C 0.053 174.916 174.900 -0.061 0.000 1.153 144 G CA 0.101 45.147 45.100 -0.091 0.000 0.778 144 G HN 0.535 nan 8.290 nan 0.000 0.539 145 D N -0.846 119.536 120.400 -0.030 0.000 2.478 145 D HA 0.227 4.865 4.640 -0.003 0.000 0.240 145 D C -1.948 174.346 176.300 -0.011 0.000 1.364 145 D CA -1.607 52.380 54.000 -0.020 0.000 0.987 145 D CB 2.530 43.325 40.800 -0.008 0.000 1.328 145 D HN -0.067 nan 8.370 nan 0.000 0.584 146 P HA -0.100 nan 4.420 nan 0.000 0.226 146 P C 1.179 178.474 177.300 -0.009 0.000 1.153 146 P CA 0.520 63.618 63.100 -0.003 0.000 0.777 146 P CB 0.270 31.969 31.700 -0.003 0.000 0.794 147 S N 1.153 116.845 115.700 -0.013 0.000 2.469 147 S HA -0.134 4.334 4.470 -0.003 0.000 0.238 147 S C 1.372 175.958 174.600 -0.022 0.000 0.998 147 S CA 1.178 59.370 58.200 -0.014 0.000 0.957 147 S CB -1.408 61.786 63.200 -0.011 0.000 0.764 147 S HN 0.276 nan 8.310 nan 0.000 0.514 148 N N 0.124 118.806 118.700 -0.029 0.000 2.203 148 N HA 0.180 4.918 4.740 -0.003 0.000 0.207 148 N C -1.362 174.090 175.510 -0.096 0.000 1.130 148 N CA -0.377 52.641 53.050 -0.053 0.000 0.861 148 N CB -0.172 38.291 38.487 -0.041 0.000 1.005 148 N HN 0.162 nan 8.380 nan 0.000 0.507 149 D N 2.744 123.098 120.400 -0.077 0.000 2.348 149 D HA 0.175 4.813 4.640 -0.003 0.000 0.253 149 D C -1.936 174.286 176.300 -0.131 0.000 1.161 149 D CA -1.209 52.722 54.000 -0.115 0.000 0.876 149 D CB 0.726 41.500 40.800 -0.043 0.000 1.160 149 D HN 0.274 nan 8.370 nan 0.000 0.459 150 P HA 0.145 nan 4.420 nan 0.000 0.270 150 P C -2.523 174.763 177.300 -0.022 0.000 1.223 150 P CA -1.134 61.876 63.100 -0.152 0.000 0.785 150 P CB -0.260 31.261 31.700 -0.299 0.000 0.923 151 P HA 0.011 nan 4.420 nan 0.000 0.265 151 P C 0.793 178.164 177.300 0.119 0.000 1.193 151 P CA 0.903 64.044 63.100 0.067 0.000 0.765 151 P CB 0.028 31.767 31.700 0.066 0.000 0.823 152 G N 1.609 110.461 108.800 0.088 0.000 2.176 152 G HA2 -0.193 3.765 3.960 -0.003 0.000 0.232 152 G HA3 -0.193 3.765 3.960 -0.003 0.000 0.232 152 G C 0.272 175.219 174.900 0.079 0.000 0.986 152 G CA -0.063 45.090 45.100 0.090 0.000 0.643 152 G HN 0.646 nan 8.290 nan 0.000 0.522 153 T N 2.172 116.769 114.554 0.072 0.000 2.871 153 T HA 0.371 4.719 4.350 -0.003 0.000 0.296 153 T C 0.727 175.413 174.700 -0.025 0.000 0.998 153 T CA 0.760 62.878 62.100 0.030 0.000 1.162 153 T CB 0.709 69.598 68.868 0.036 0.000 0.947 153 T HN 0.529 nan 8.240 nan 0.000 0.536 154 E N 2.268 122.359 120.200 -0.181 0.000 2.322 154 E HA 0.245 4.593 4.350 -0.003 0.000 0.257 154 E C 0.090 176.713 176.600 0.039 0.000 1.155 154 E CA -0.896 55.416 56.400 -0.147 0.000 0.936 154 E CB 0.670 30.178 29.700 -0.320 0.000 1.130 154 E HN 0.506 nan 8.360 nan 0.000 0.465 155 Q N 0.823 120.701 119.800 0.130 0.000 2.361 155 Q HA -0.058 4.280 4.340 -0.003 0.000 0.276 155 Q C -1.265 174.968 176.000 0.388 0.000 1.022 155 Q CA 0.037 55.980 55.803 0.234 0.000 0.898 155 Q CB 0.523 29.363 28.738 0.170 0.000 1.246 155 Q HN 0.483 nan 8.270 nan 0.000 0.410 156 W N 5.208 126.636 121.300 0.214 0.000 2.226 156 W HA 0.592 5.250 4.660 -0.003 0.000 0.379 156 W C -1.445 175.136 176.519 0.103 0.000 0.923 156 W CA -0.366 57.094 57.345 0.192 0.000 1.524 156 W CB -0.136 29.416 29.460 0.153 0.000 1.552 156 W HN 0.693 nan 8.180 nan 0.000 0.337 157 A N 3.979 126.916 122.820 0.195 0.000 2.515 157 A HA 0.332 4.650 4.320 -0.003 0.000 0.296 157 A C 0.860 178.464 177.584 0.034 0.000 1.094 157 A CA -0.670 51.456 52.037 0.148 0.000 0.718 157 A CB 1.829 20.903 19.000 0.125 0.000 1.307 157 A HN 0.519 nan 8.150 nan 0.000 0.408 158 K N 0.386 120.810 120.400 0.040 0.000 2.209 158 K HA -0.146 4.171 4.320 -0.003 0.000 0.204 158 K C 0.656 177.240 176.600 -0.026 0.000 1.048 158 K CA 2.008 58.287 56.287 -0.014 0.000 0.940 158 K CB 0.054 32.550 32.500 -0.006 0.000 0.729 158 K HN 0.806 nan 8.250 nan 0.000 0.451 159 D N -0.181 120.220 120.400 0.002 0.000 2.328 159 D HA 0.010 4.648 4.640 -0.003 0.000 0.221 159 D C -0.051 176.257 176.300 0.013 0.000 1.072 159 D CA -0.100 53.903 54.000 0.005 0.000 0.850 159 D CB 0.177 40.988 40.800 0.019 0.000 0.922 159 D HN 0.159 nan 8.370 nan 0.000 0.516 160 A N 1.084 123.909 122.820 0.008 0.000 2.401 160 A HA 0.418 4.736 4.320 -0.003 0.000 0.259 160 A C 0.237 177.833 177.584 0.021 0.000 1.103 160 A CA -0.471 51.593 52.037 0.044 0.000 0.789 160 A CB 0.532 19.578 19.000 0.078 0.000 1.035 160 A HN 0.019 nan 8.150 nan 0.000 0.491 161 R N 2.612 123.151 120.500 0.066 0.000 2.415 161 R HA 0.314 4.652 4.340 -0.003 0.000 0.292 161 R C -2.894 173.466 176.300 0.100 0.000 1.295 161 R CA -1.673 54.457 56.100 0.050 0.000 1.137 161 R CB 0.502 30.821 30.300 0.032 0.000 1.135 161 R HN 0.519 nan 8.270 nan 0.000 0.560 162 P HA 0.001 nan 4.420 nan 0.000 0.266 162 P C -0.111 177.256 177.300 0.113 0.000 1.186 162 P CA 0.340 63.564 63.100 0.208 0.000 0.767 162 P CB 0.746 32.580 31.700 0.223 0.000 0.820 163 R N 0.883 121.451 120.500 0.113 0.000 2.873 163 R HA 0.305 4.643 4.340 -0.003 0.000 0.264 163 R C 1.497 177.854 176.300 0.095 0.000 1.026 163 R CA -0.883 55.270 56.100 0.089 0.000 1.002 163 R CB 0.642 30.993 30.300 0.086 0.000 1.174 163 R HN 0.582 nan 8.270 nan 0.000 0.488 164 H N 1.436 120.540 119.070 0.056 0.000 2.400 164 H HA -0.171 4.383 4.556 -0.004 0.000 0.295 164 H C 0.538 175.907 175.328 0.069 0.000 1.118 164 H CA 2.358 58.442 56.048 0.060 0.000 1.256 164 H CB 0.308 30.083 29.762 0.021 0.000 1.365 164 H HN 0.581 nan 8.280 nan 0.000 0.502 165 D N -0.574 119.908 120.400 0.137 0.000 2.395 165 D HA 0.047 4.685 4.640 -0.003 0.000 0.213 165 D C 0.434 176.726 176.300 -0.013 0.000 1.110 165 D CA -0.144 53.889 54.000 0.055 0.000 0.835 165 D CB -0.118 40.651 40.800 -0.053 0.000 0.965 165 D HN -0.096 nan 8.370 nan 0.000 0.505 166 S N 0.128 115.838 115.700 0.016 0.000 2.569 166 S HA 0.269 4.737 4.470 -0.003 0.000 0.274 166 S C -0.190 174.362 174.600 -0.080 0.000 1.353 166 S CA 0.057 58.228 58.200 -0.048 0.000 1.023 166 S CB 0.462 63.691 63.200 0.049 0.000 0.876 166 S HN 0.244 nan 8.310 nan 0.000 0.540 167 F N 0.579 120.387 119.950 -0.237 0.000 2.557 167 F HA 0.321 4.846 4.527 -0.003 0.000 0.316 167 F C -0.460 175.088 175.800 -0.419 0.000 1.141 167 F CA -0.705 57.162 58.000 -0.220 0.000 0.922 167 F CB 1.539 40.437 39.000 -0.170 0.000 1.194 167 F HN 0.624 nan 8.300 nan 0.000 0.443 168 Y N 0.656 121.088 120.300 0.220 0.000 2.426 168 Y HA 0.262 4.810 4.550 -0.004 0.000 0.249 168 Y C 1.518 177.558 175.900 0.234 0.000 1.103 168 Y CA 0.418 58.597 58.100 0.133 0.000 1.256 168 Y CB 1.277 39.665 38.460 -0.120 0.000 1.208 168 Y HN 0.799 nan 8.280 nan 0.000 0.519 169 G N 0.417 109.345 108.800 0.214 0.000 2.141 169 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.242 169 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.242 169 G C 0.727 175.791 174.900 0.274 0.000 0.982 169 G CA -0.124 45.066 45.100 0.148 0.000 0.662 169 G HN 0.687 nan 8.290 nan 0.000 0.527 170 G N 0.404 109.457 108.800 0.422 0.000 2.414 170 G HA2 0.509 4.467 3.960 -0.003 0.000 0.236 170 G HA3 0.509 4.467 3.960 -0.003 0.000 0.236 170 G C 0.092 175.223 174.900 0.387 0.000 1.293 170 G CA 0.988 46.366 45.100 0.464 0.000 0.869 170 G HN 1.006 nan 8.290 nan 0.000 0.556 171 D N 0.412 121.004 120.400 0.319 0.000 2.664 171 D HA 0.181 4.819 4.640 -0.003 0.000 0.292 171 D C 1.273 177.701 176.300 0.214 0.000 1.214 171 D CA -0.941 53.242 54.000 0.304 0.000 0.932 171 D CB 0.387 41.303 40.800 0.193 0.000 1.420 171 D HN 0.184 nan 8.370 nan 0.000 0.471 172 L N -0.822 120.496 121.223 0.157 0.000 2.083 172 L HA -0.106 4.232 4.340 -0.003 0.000 0.209 172 L C 2.281 179.205 176.870 0.091 0.000 1.083 172 L CA 1.179 56.075 54.840 0.094 0.000 0.752 172 L CB -0.551 41.535 42.059 0.046 0.000 0.899 172 L HN 0.383 nan 8.230 nan 0.000 0.433 173 K N 1.039 121.479 120.400 0.067 0.000 2.074 173 K HA -0.159 4.159 4.320 -0.003 0.000 0.209 173 K C 1.970 178.582 176.600 0.020 0.000 1.048 173 K CA 1.689 57.991 56.287 0.025 0.000 0.926 173 K CB -0.896 31.607 32.500 0.004 0.000 0.713 173 K HN 0.244 nan 8.250 nan 0.000 0.444 174 G N -0.044 108.784 108.800 0.047 0.000 2.476 174 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 174 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 174 G C 1.527 176.480 174.900 0.088 0.000 1.164 174 G CA 1.412 46.521 45.100 0.014 0.000 0.768 174 G HN 0.223 nan 8.290 nan 0.000 0.560 175 V N 1.392 121.460 119.914 0.257 0.000 2.295 175 V HA -0.176 3.942 4.120 -0.003 0.000 0.246 175 V C 2.798 178.999 176.094 0.178 0.000 1.049 175 V CA 1.659 64.180 62.300 0.368 0.000 1.024 175 V CB -0.572 31.474 31.823 0.371 0.000 0.648 175 V HN 0.408 nan 8.190 nan 0.000 0.447 176 I N 0.574 121.195 120.570 0.084 0.000 2.208 176 I HA -0.266 3.902 4.170 -0.003 0.000 0.245 176 I C 2.243 178.351 176.117 -0.014 0.000 1.097 176 I CA 1.797 63.109 61.300 0.020 0.000 1.363 176 I CB -0.655 37.337 38.000 -0.012 0.000 1.051 176 I HN 0.331 nan 8.210 nan 0.000 0.413 177 D N 0.617 120.985 120.400 -0.053 0.000 2.263 177 D HA -0.111 4.527 4.640 -0.003 0.000 0.208 177 D C 1.910 178.104 176.300 -0.177 0.000 0.971 177 D CA 0.875 54.799 54.000 -0.127 0.000 0.867 177 D CB -0.132 40.556 40.800 -0.188 0.000 0.929 177 D HN 0.273 nan 8.370 nan 0.000 0.492 178 R N -0.007 120.419 120.500 -0.124 0.000 2.397 178 R HA 0.243 4.581 4.340 -0.003 0.000 0.241 178 R C 2.100 178.455 176.300 0.093 0.000 0.914 178 R CA -0.183 55.831 56.100 -0.143 0.000 1.071 178 R CB -0.092 30.058 30.300 -0.250 0.000 1.116 178 R HN 0.253 nan 8.270 nan 0.000 0.524 179 L N 1.082 122.351 121.223 0.077 0.000 2.081 179 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 179 L C -0.671 176.243 176.870 0.073 0.000 1.080 179 L CA 1.745 56.634 54.840 0.082 0.000 0.754 179 L CB -1.430 40.650 42.059 0.034 0.000 0.893 179 L HN 0.053 nan 8.230 nan 0.000 0.433 180 P HA -0.247 nan 4.420 nan 0.000 0.216 180 P C 1.347 178.714 177.300 0.112 0.000 1.153 180 P CA 1.446 64.576 63.100 0.049 0.000 0.858 180 P CB -0.065 31.647 31.700 0.021 0.000 0.789 181 Y N 0.282 120.601 120.300 0.031 0.000 2.133 181 Y HA -0.157 4.391 4.550 -0.003 0.000 0.287 181 Y C 2.039 178.035 175.900 0.159 0.000 1.134 181 Y CA 1.480 59.659 58.100 0.131 0.000 1.133 181 Y CB -1.083 37.480 38.460 0.171 0.000 0.987 181 Y HN -0.237 nan 8.280 nan 0.000 0.502 182 L N 0.430 121.764 121.223 0.186 0.000 2.079 182 L HA -0.222 4.116 4.340 -0.003 0.000 0.210 182 L C 2.583 179.390 176.870 -0.105 0.000 1.081 182 L CA 1.930 56.736 54.840 -0.058 0.000 0.752 182 L CB -0.607 41.442 42.059 -0.017 0.000 0.896 182 L HN 0.385 nan 8.230 nan 0.000 0.433 183 E N 0.395 120.572 120.200 -0.039 0.000 2.077 183 E HA -0.289 4.059 4.350 -0.003 0.000 0.193 183 E C 2.090 178.648 176.600 -0.071 0.000 0.989 183 E CA 1.261 57.630 56.400 -0.050 0.000 0.800 183 E CB 0.034 29.717 29.700 -0.028 0.000 0.746 183 E HN 0.449 nan 8.360 nan 0.000 0.452 184 E N 0.280 120.439 120.200 -0.068 0.000 2.085 184 E HA -0.236 4.112 4.350 -0.003 0.000 0.194 184 E C 2.215 178.721 176.600 -0.156 0.000 0.994 184 E CA 1.115 57.467 56.400 -0.080 0.000 0.801 184 E CB -0.113 29.577 29.700 -0.017 0.000 0.743 184 E HN 0.279 nan 8.360 nan 0.000 0.453 185 L N -0.086 121.017 121.223 -0.200 0.000 2.046 185 L HA -0.021 4.317 4.340 -0.003 0.000 0.208 185 L C 1.555 178.365 176.870 -0.101 0.000 1.077 185 L CA 2.448 57.163 54.840 -0.210 0.000 0.747 185 L CB -0.219 41.756 42.059 -0.141 0.000 0.896 185 L HN 0.364 nan 8.230 nan 0.000 0.432 186 G N -1.286 107.476 108.800 -0.065 0.000 2.143 186 G HA2 -0.157 3.801 3.960 -0.003 0.000 0.175 186 G HA3 -0.157 3.801 3.960 -0.003 0.000 0.175 186 G C 0.226 175.165 174.900 0.066 0.000 1.004 186 G CA 0.103 45.206 45.100 0.004 0.000 0.671 186 G HN 0.863 nan 8.290 nan 0.000 0.512 187 V N -0.784 119.142 119.914 0.019 0.000 2.843 187 V HA 0.691 4.809 4.120 -0.003 0.000 0.305 187 V C 1.179 177.295 176.094 0.037 0.000 1.065 187 V CA 1.150 63.481 62.300 0.052 0.000 1.116 187 V CB 1.137 32.970 31.823 0.016 0.000 0.968 187 V HN 0.586 nan 8.190 nan 0.000 0.487 188 T N 1.198 115.798 114.554 0.076 0.000 3.040 188 T HA 0.687 5.035 4.350 -0.003 0.000 0.250 188 T C 0.467 175.184 174.700 0.028 0.000 1.058 188 T CA 0.557 62.690 62.100 0.054 0.000 0.988 188 T CB 0.240 69.197 68.868 0.148 0.000 0.993 188 T HN 1.571 nan 8.240 nan 0.000 0.519 189 A N 0.807 123.658 122.820 0.051 0.000 2.605 189 A HA 0.706 5.024 4.320 -0.003 0.000 0.294 189 A C -2.232 175.380 177.584 0.046 0.000 1.062 189 A CA -0.799 51.265 52.037 0.046 0.000 0.682 189 A CB 1.033 20.127 19.000 0.155 0.000 1.278 189 A HN 0.145 nan 8.150 nan 0.000 0.410 190 L N 1.554 122.794 121.223 0.029 0.000 2.333 190 L HA 0.553 4.891 4.340 -0.003 0.000 0.280 190 L C -0.971 175.870 176.870 -0.048 0.000 1.004 190 L CA -0.248 54.542 54.840 -0.083 0.000 0.820 190 L CB 1.464 43.389 42.059 -0.225 0.000 1.247 190 L HN 0.688 nan 8.230 nan 0.000 0.416 191 Y N 4.518 124.690 120.300 -0.214 0.000 2.356 191 Y HA 0.606 5.154 4.550 -0.004 0.000 0.334 191 Y C -1.368 174.427 175.900 -0.174 0.000 0.958 191 Y CA -1.468 56.604 58.100 -0.046 0.000 1.196 191 Y CB 0.624 39.170 38.460 0.144 0.000 1.137 191 Y HN 0.381 nan 8.280 nan 0.000 0.485 192 F N 4.104 123.846 119.950 -0.347 0.000 2.404 192 F HA 0.410 4.935 4.527 -0.003 0.000 0.339 192 F C 1.063 176.485 175.800 -0.629 0.000 1.105 192 F CA -0.525 57.188 58.000 -0.478 0.000 1.087 192 F CB 1.409 40.242 39.000 -0.277 0.000 1.143 192 F HN 0.576 nan 8.300 nan 0.000 0.491 193 T N 0.583 114.912 114.554 -0.374 0.000 2.698 193 T HA 0.285 4.633 4.350 -0.003 0.000 0.295 193 T C -2.592 171.960 174.700 -0.247 0.000 1.007 193 T CA -1.851 60.089 62.100 -0.268 0.000 0.980 193 T CB 0.171 68.978 68.868 -0.102 0.000 1.036 193 T HN 0.194 nan 8.240 nan 0.000 0.526 194 P HA 0.106 nan 4.420 nan 0.000 0.263 194 P C 0.171 177.314 177.300 -0.262 0.000 1.168 194 P CA 0.382 63.229 63.100 -0.421 0.000 0.759 194 P CB -0.059 31.264 31.700 -0.628 0.000 0.782 195 I N -1.695 118.753 120.570 -0.203 0.000 3.809 195 I HA 0.345 4.513 4.170 -0.003 0.000 0.325 195 I C -0.414 175.897 176.117 0.324 0.000 1.447 195 I CA -0.252 61.032 61.300 -0.028 0.000 1.027 195 I CB -0.127 37.670 38.000 -0.338 0.000 1.567 195 I HN 0.044 nan 8.210 nan 0.000 0.616 196 F N 2.352 122.252 119.950 -0.083 0.000 2.378 196 F HA 0.729 5.254 4.527 -0.003 0.000 0.325 196 F C 1.414 177.234 175.800 0.035 0.000 1.097 196 F CA -1.339 56.644 58.000 -0.028 0.000 1.079 196 F CB 1.265 40.224 39.000 -0.069 0.000 1.240 196 F HN 0.086 nan 8.300 nan 0.000 0.519 197 A N 2.358 125.313 122.820 0.226 0.000 2.573 197 A HA 0.275 4.593 4.320 -0.003 0.000 0.250 197 A C 0.101 177.764 177.584 0.131 0.000 1.049 197 A CA 0.572 52.699 52.037 0.150 0.000 0.767 197 A CB -0.256 18.821 19.000 0.129 0.000 0.965 197 A HN 0.634 nan 8.150 nan 0.000 0.514 198 S N 3.253 119.014 115.700 0.102 0.000 2.537 198 S HA 0.693 5.161 4.470 -0.003 0.000 0.271 198 S C -2.311 172.337 174.600 0.079 0.000 1.148 198 S CA -0.511 57.742 58.200 0.088 0.000 0.868 198 S CB 1.904 65.139 63.200 0.058 0.000 1.115 198 S HN 0.431 nan 8.310 nan 0.000 0.461 199 P HA 0.088 nan 4.420 nan 0.000 0.231 199 P C 0.638 178.009 177.300 0.119 0.000 1.168 199 P CA 0.310 63.473 63.100 0.105 0.000 0.779 199 P CB -0.053 31.716 31.700 0.114 0.000 0.844 200 S N -1.252 114.491 115.700 0.071 0.000 2.713 200 S HA 0.196 4.664 4.470 -0.003 0.000 0.277 200 S C 1.220 175.928 174.600 0.180 0.000 1.168 200 S CA -0.469 57.773 58.200 0.071 0.000 0.994 200 S CB 0.063 63.199 63.200 -0.108 0.000 1.054 200 S HN 0.110 nan 8.310 nan 0.000 0.555 201 H N 0.063 119.193 119.070 0.100 0.000 2.372 201 H HA -0.045 4.509 4.556 -0.003 0.000 0.301 201 H C 2.073 177.582 175.328 0.301 0.000 1.065 201 H CA 1.823 58.022 56.048 0.253 0.000 1.364 201 H CB -0.078 29.807 29.762 0.205 0.000 1.406 201 H HN 0.970 nan 8.280 nan 0.000 0.521 202 H N -0.147 119.223 119.070 0.500 0.000 2.470 202 H HA 0.118 4.672 4.556 -0.003 0.000 0.289 202 H C 0.678 176.322 175.328 0.526 0.000 1.033 202 H CA 0.609 56.992 56.048 0.558 0.000 1.331 202 H CB 0.173 30.254 29.762 0.531 0.000 1.414 202 H HN -0.091 nan 8.280 nan 0.000 0.545 203 K N -1.241 119.063 120.400 -0.160 0.000 3.230 203 K HA -0.239 4.079 4.320 -0.003 0.000 0.285 203 K C -0.469 176.198 176.600 0.112 0.000 1.196 203 K CA 0.905 57.194 56.287 0.003 0.000 0.838 203 K CB -2.584 29.992 32.500 0.126 0.000 1.262 203 K HN 0.625 nan 8.250 nan 0.000 0.492 204 Y N 0.447 120.948 120.300 0.335 0.000 2.482 204 Y HA 0.022 4.570 4.550 -0.003 0.000 0.270 204 Y C 0.740 176.888 175.900 0.414 0.000 1.152 204 Y CA 0.283 58.645 58.100 0.436 0.000 1.292 204 Y CB 0.533 39.336 38.460 0.571 0.000 1.070 204 Y HN 0.181 nan 8.280 nan 0.000 0.528 205 D N -0.045 120.614 120.400 0.433 0.000 2.540 205 D HA 0.058 4.696 4.640 -0.003 0.000 0.251 205 D C -0.337 176.067 176.300 0.173 0.000 1.159 205 D CA -0.289 53.908 54.000 0.329 0.000 0.974 205 D CB -0.083 40.896 40.800 0.298 0.000 0.996 205 D HN -0.109 nan 8.370 nan 0.000 0.512 206 T N 0.954 115.548 114.554 0.068 0.000 2.750 206 T HA 0.210 4.558 4.350 -0.003 0.000 0.277 206 T C 1.366 176.081 174.700 0.026 0.000 0.996 206 T CA 0.268 62.282 62.100 -0.144 0.000 1.195 206 T CB 1.103 69.471 68.868 -0.833 0.000 0.963 206 T HN 0.512 nan 8.240 nan 0.000 0.516 207 A N 3.063 125.952 122.820 0.116 0.000 1.956 207 A HA 0.213 4.531 4.320 -0.003 0.000 0.212 207 A C 0.988 178.787 177.584 0.358 0.000 1.188 207 A CA 0.257 52.449 52.037 0.258 0.000 0.675 207 A CB 0.342 19.462 19.000 0.200 0.000 0.845 207 A HN 0.696 nan 8.150 nan 0.000 0.455 208 D N -1.895 118.661 120.400 0.260 0.000 2.323 208 D HA 0.314 4.952 4.640 -0.003 0.000 0.242 208 D C -0.543 175.949 176.300 0.320 0.000 1.347 208 D CA -0.582 53.623 54.000 0.343 0.000 0.988 208 D CB 0.099 41.037 40.800 0.229 0.000 1.314 208 D HN 0.157 nan 8.370 nan 0.000 0.564 209 Y N 1.880 122.459 120.300 0.465 0.000 2.651 209 Y HA 0.013 4.561 4.550 -0.003 0.000 0.296 209 Y C 1.683 177.839 175.900 0.426 0.000 1.150 209 Y CA 0.900 59.336 58.100 0.560 0.000 1.348 209 Y CB 0.126 38.913 38.460 0.546 0.000 0.983 209 Y HN 0.441 nan 8.280 nan 0.000 0.555 210 L N -1.108 120.284 121.223 0.282 0.000 2.769 210 L HA 0.458 4.796 4.340 -0.003 0.000 0.240 210 L C 0.467 177.306 176.870 -0.052 0.000 1.163 210 L CA -0.268 54.531 54.840 -0.068 0.000 0.962 210 L CB 0.035 41.846 42.059 -0.413 0.000 1.258 210 L HN 0.005 nan 8.230 nan 0.000 0.513 211 A N 0.388 123.277 122.820 0.115 0.000 2.486 211 A HA 0.635 4.953 4.320 -0.003 0.000 0.300 211 A C -0.567 177.095 177.584 0.129 0.000 1.048 211 A CA -0.516 51.591 52.037 0.117 0.000 0.696 211 A CB 1.627 20.665 19.000 0.065 0.000 1.278 211 A HN -0.064 nan 8.150 nan 0.000 0.405 212 I N 2.157 122.826 120.570 0.165 0.000 2.588 212 I HA 0.049 4.217 4.170 -0.003 0.000 0.283 212 I C 0.731 176.924 176.117 0.127 0.000 1.119 212 I CA 0.158 61.524 61.300 0.110 0.000 1.419 212 I CB 0.520 38.590 38.000 0.117 0.000 1.394 212 I HN 0.734 nan 8.210 nan 0.000 0.562 213 D N 8.218 128.719 120.400 0.168 0.000 2.458 213 D HA 0.017 4.655 4.640 -0.003 0.000 0.243 213 D C -1.628 174.695 176.300 0.040 0.000 1.146 213 D CA -1.173 52.889 54.000 0.104 0.000 0.877 213 D CB 1.764 42.621 40.800 0.095 0.000 1.176 213 D HN 0.231 nan 8.370 nan 0.000 0.461 214 P HA -0.230 nan 4.420 nan 0.000 0.218 214 P C 1.241 178.489 177.300 -0.087 0.000 1.152 214 P CA 1.547 64.632 63.100 -0.025 0.000 0.857 214 P CB 0.006 31.691 31.700 -0.025 0.000 0.787 215 Q N -1.940 117.729 119.800 -0.219 0.000 2.364 215 Q HA -0.123 4.215 4.340 -0.003 0.000 0.207 215 Q C 1.085 176.872 176.000 -0.354 0.000 0.970 215 Q CA 1.242 56.828 55.803 -0.362 0.000 0.888 215 Q CB -0.449 27.937 28.738 -0.587 0.000 0.951 215 Q HN 0.178 nan 8.270 nan 0.000 0.469 216 F N -0.208 119.714 119.950 -0.047 0.000 2.622 216 F HA 0.449 4.974 4.527 -0.004 0.000 0.288 216 F C 1.342 177.137 175.800 -0.009 0.000 1.120 216 F CA 0.661 58.641 58.000 -0.034 0.000 1.423 216 F CB 0.975 39.948 39.000 -0.045 0.000 1.127 216 F HN 0.266 nan 8.300 nan 0.000 0.588 217 G N -0.395 108.499 108.800 0.157 0.000 2.332 217 G HA2 0.204 4.161 3.960 -0.003 0.000 0.265 217 G HA3 0.204 4.161 3.960 -0.003 0.000 0.265 217 G C -2.010 172.952 174.900 0.103 0.000 1.329 217 G CA -0.397 44.771 45.100 0.112 0.000 0.949 217 G HN 0.051 nan 8.290 nan 0.000 0.476 218 D N -0.916 119.547 120.400 0.105 0.000 2.566 218 D HA 0.490 5.128 4.640 -0.003 0.000 0.254 218 D C 1.291 177.678 176.300 0.145 0.000 1.090 218 D CA -0.713 53.350 54.000 0.104 0.000 1.034 218 D CB 2.202 43.044 40.800 0.069 0.000 1.434 218 D HN 0.581 nan 8.370 nan 0.000 0.509 219 L N 0.611 121.915 121.223 0.134 0.000 2.012 219 L HA -0.044 4.294 4.340 -0.003 0.000 0.210 219 L C -1.050 175.914 176.870 0.156 0.000 1.073 219 L CA 2.082 57.020 54.840 0.163 0.000 0.748 219 L CB -1.569 40.547 42.059 0.096 0.000 0.891 219 L HN 0.310 nan 8.230 nan 0.000 0.431 220 P HA -0.112 nan 4.420 nan 0.000 0.216 220 P C 1.515 178.845 177.300 0.050 0.000 1.150 220 P CA 1.814 64.948 63.100 0.056 0.000 0.837 220 P CB -0.118 31.603 31.700 0.036 0.000 0.786 221 T N -1.096 113.501 114.554 0.072 0.000 2.770 221 T HA -0.126 4.222 4.350 -0.003 0.000 0.263 221 T C 1.449 176.177 174.700 0.046 0.000 1.039 221 T CA 0.887 63.018 62.100 0.052 0.000 1.142 221 T CB -1.035 67.874 68.868 0.067 0.000 0.868 221 T HN 0.022 nan 8.240 nan 0.000 0.435 222 F N 2.632 122.572 119.950 -0.017 0.000 2.095 222 F HA -0.118 4.407 4.527 -0.003 0.000 0.298 222 F C 2.437 178.204 175.800 -0.056 0.000 1.104 222 F CA 1.281 59.256 58.000 -0.042 0.000 1.232 222 F CB -0.161 38.855 39.000 0.027 0.000 0.987 222 F HN -0.100 nan 8.300 nan 0.000 0.475 223 R N -0.033 120.440 120.500 -0.045 0.000 2.091 223 R HA -0.206 4.132 4.340 -0.003 0.000 0.238 223 R C 2.338 178.508 176.300 -0.216 0.000 1.136 223 R CA 1.596 57.605 56.100 -0.152 0.000 0.959 223 R CB -0.640 29.638 30.300 -0.036 0.000 0.856 223 R HN 0.231 nan 8.270 nan 0.000 0.437 224 R N 1.285 121.699 120.500 -0.143 0.000 2.073 224 R HA -0.137 4.201 4.340 -0.003 0.000 0.234 224 R C 2.246 178.441 176.300 -0.175 0.000 1.134 224 R CA 1.219 57.245 56.100 -0.124 0.000 0.952 224 R CB -0.760 29.498 30.300 -0.070 0.000 0.850 224 R HN 0.164 nan 8.270 nan 0.000 0.433 225 L N -0.113 120.974 121.223 -0.226 0.000 2.012 225 L HA -0.131 4.207 4.340 -0.003 0.000 0.210 225 L C 2.057 178.730 176.870 -0.328 0.000 1.073 225 L CA 1.708 56.404 54.840 -0.240 0.000 0.748 225 L CB -0.675 41.217 42.059 -0.280 0.000 0.891 225 L HN 0.099 nan 8.230 nan 0.000 0.431 226 V N 0.175 119.762 119.914 -0.544 0.000 2.282 226 V HA -0.343 3.775 4.120 -0.003 0.000 0.249 226 V C 2.311 178.079 176.094 -0.544 0.000 1.057 226 V CA 2.185 64.110 62.300 -0.625 0.000 1.032 226 V CB -0.791 30.608 31.823 -0.707 0.000 0.645 226 V HN 0.523 nan 8.190 nan 0.000 0.447 227 D N -0.742 119.452 120.400 -0.343 0.000 2.091 227 D HA -0.102 4.536 4.640 -0.003 0.000 0.199 227 D C 2.310 178.554 176.300 -0.094 0.000 0.980 227 D CA 0.875 54.764 54.000 -0.185 0.000 0.831 227 D CB -0.308 40.419 40.800 -0.123 0.000 0.987 227 D HN 0.352 nan 8.370 nan 0.000 0.460 228 E N 0.816 120.955 120.200 -0.102 0.000 2.118 228 E HA -0.129 4.219 4.350 -0.003 0.000 0.195 228 E C 2.000 178.577 176.600 -0.039 0.000 0.992 228 E CA 0.825 57.189 56.400 -0.060 0.000 0.804 228 E CB -0.237 29.428 29.700 -0.059 0.000 0.741 228 E HN 0.219 nan 8.360 nan 0.000 0.458 229 A N 0.667 123.453 122.820 -0.057 0.000 1.873 229 A HA -0.180 4.138 4.320 -0.003 0.000 0.215 229 A C 1.973 179.583 177.584 0.043 0.000 1.186 229 A CA 1.436 53.463 52.037 -0.017 0.000 0.616 229 A CB -0.895 18.086 19.000 -0.031 0.000 0.823 229 A HN 0.345 nan 8.150 nan 0.000 0.442 230 H N -0.046 118.957 119.070 -0.112 0.000 2.353 230 H HA -0.160 4.393 4.556 -0.003 0.000 0.298 230 H C 2.279 177.546 175.328 -0.103 0.000 1.103 230 H CA 1.441 57.417 56.048 -0.121 0.000 1.293 230 H CB 0.031 29.720 29.762 -0.122 0.000 1.372 230 H HN 0.594 nan 8.280 nan 0.000 0.501 231 R N 0.694 121.217 120.500 0.039 0.000 2.280 231 R HA -0.012 4.326 4.340 -0.003 0.000 0.207 231 R C 1.356 177.636 176.300 -0.033 0.000 1.043 231 R CA 0.702 56.794 56.100 -0.014 0.000 1.006 231 R CB 0.012 30.303 30.300 -0.014 0.000 0.885 231 R HN 0.068 nan 8.270 nan 0.000 0.467 232 R N 0.286 120.768 120.500 -0.030 0.000 2.334 232 R HA 0.168 4.506 4.340 -0.003 0.000 0.216 232 R C 0.738 177.002 176.300 -0.061 0.000 0.905 232 R CA 0.608 56.684 56.100 -0.040 0.000 1.064 232 R CB 0.476 30.759 30.300 -0.028 0.000 1.046 232 R HN 0.540 nan 8.270 nan 0.000 0.508 233 G N 0.478 109.231 108.800 -0.078 0.000 2.137 233 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.237 233 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.237 233 G C -0.032 174.796 174.900 -0.119 0.000 1.002 233 G CA -0.080 44.949 45.100 -0.118 0.000 0.702 233 G HN 0.254 nan 8.290 nan 0.000 0.515 234 I N 0.308 120.831 120.570 -0.079 0.000 2.354 234 I HA 0.407 4.574 4.170 -0.003 0.000 0.292 234 I C 0.500 176.589 176.117 -0.047 0.000 0.989 234 I CA -0.818 60.444 61.300 -0.063 0.000 1.188 234 I CB 1.532 39.516 38.000 -0.027 0.000 1.342 234 I HN -0.043 nan 8.210 nan 0.000 0.457 235 K N 5.521 125.837 120.400 -0.141 0.000 2.090 235 K HA 0.595 4.913 4.320 -0.003 0.000 0.249 235 K C -0.774 175.820 176.600 -0.009 0.000 0.995 235 K CA -0.494 55.702 56.287 -0.153 0.000 0.914 235 K CB 1.214 33.376 32.500 -0.564 0.000 1.057 235 K HN 0.344 nan 8.250 nan 0.000 0.462 236 I N 2.751 123.346 120.570 0.042 0.000 2.406 236 I HA 0.321 4.489 4.170 -0.003 0.000 0.290 236 I C -0.738 175.472 176.117 0.155 0.000 0.999 236 I CA -0.602 60.775 61.300 0.129 0.000 1.124 236 I CB 1.272 39.320 38.000 0.080 0.000 1.289 236 I HN 0.423 nan 8.210 nan 0.000 0.441 237 I N 6.843 127.568 120.570 0.259 0.000 2.389 237 I HA 0.418 4.586 4.170 -0.003 0.000 0.288 237 I C -0.001 176.302 176.117 0.311 0.000 0.999 237 I CA -0.506 60.952 61.300 0.263 0.000 1.129 237 I CB 1.859 40.114 38.000 0.426 0.000 1.288 237 I HN 0.302 nan 8.210 nan 0.000 0.444 238 L N 4.545 125.818 121.223 0.083 0.000 2.360 238 L HA 0.382 4.720 4.340 -0.003 0.000 0.271 238 L C 0.084 177.036 176.870 0.137 0.000 1.057 238 L CA -0.630 54.234 54.840 0.040 0.000 0.803 238 L CB 1.409 43.344 42.059 -0.207 0.000 1.207 238 L HN 0.460 nan 8.230 nan 0.000 0.445 239 D N 1.906 122.330 120.400 0.040 0.000 2.313 239 D HA 0.430 5.068 4.640 -0.003 0.000 0.239 239 D C -0.584 175.616 176.300 -0.166 0.000 1.142 239 D CA -0.126 53.895 54.000 0.036 0.000 0.847 239 D CB 1.569 42.385 40.800 0.027 0.000 1.082 239 D HN 0.532 nan 8.370 nan 0.000 0.480 240 A N 3.504 126.249 122.820 -0.123 0.000 2.276 240 A HA 0.511 4.829 4.320 -0.003 0.000 0.316 240 A C -0.466 176.840 177.584 -0.463 0.000 1.229 240 A CA -0.681 51.129 52.037 -0.379 0.000 0.851 240 A CB 1.009 19.493 19.000 -0.860 0.000 1.165 240 A HN 0.390 nan 8.150 nan 0.000 0.513 241 V N 3.858 123.657 119.914 -0.191 0.000 2.220 241 V HA 0.202 4.320 4.120 -0.003 0.000 0.265 241 V C -0.200 176.011 176.094 0.194 0.000 1.078 241 V CA -0.133 62.115 62.300 -0.087 0.000 0.872 241 V CB -0.624 31.137 31.823 -0.104 0.000 1.121 241 V HN 0.831 nan 8.190 nan 0.000 0.460 242 F N 1.027 120.922 119.950 -0.091 0.000 2.776 242 F HA 0.109 4.634 4.527 -0.003 0.000 0.300 242 F C 2.057 177.690 175.800 -0.277 0.000 1.116 242 F CA -0.020 57.845 58.000 -0.224 0.000 1.375 242 F CB -0.809 37.988 39.000 -0.338 0.000 1.109 242 F HN 0.509 nan 8.300 nan 0.000 0.585 243 N N 0.253 118.935 118.700 -0.030 0.000 2.166 243 N HA -0.162 4.576 4.740 -0.003 0.000 0.186 243 N C -0.057 175.488 175.510 0.059 0.000 1.019 243 N CA 1.014 54.050 53.050 -0.025 0.000 0.856 243 N CB -0.009 38.496 38.487 0.031 0.000 0.993 243 N HN 0.414 nan 8.380 nan 0.000 0.426 244 H N -2.478 116.666 119.070 0.124 0.000 3.008 244 H HA 0.745 5.299 4.556 -0.003 0.000 0.354 244 H C -1.266 174.175 175.328 0.187 0.000 1.252 244 H CA -0.741 55.394 56.048 0.145 0.000 1.117 244 H CB 1.282 31.139 29.762 0.158 0.000 1.857 244 H HN 0.070 nan 8.280 nan 0.000 0.547 245 A N 0.774 123.838 122.820 0.407 0.000 2.312 245 A HA 0.836 5.154 4.320 -0.003 0.000 0.310 245 A C 0.445 178.247 177.584 0.362 0.000 1.139 245 A CA -0.571 51.671 52.037 0.341 0.000 0.886 245 A CB 0.662 19.749 19.000 0.145 0.000 1.350 245 A HN 1.108 nan 8.150 nan 0.000 0.479 246 G N -0.933 108.039 108.800 0.287 0.000 2.477 246 G HA2 0.421 4.379 3.960 -0.003 0.000 0.304 246 G HA3 0.421 4.379 3.960 -0.003 0.000 0.304 246 G C 0.058 175.072 174.900 0.190 0.000 1.175 246 G CA 0.360 45.600 45.100 0.234 0.000 0.907 246 G HN 0.737 nan 8.290 nan 0.000 0.509 247 D N -0.889 119.578 120.400 0.110 0.000 2.363 247 D HA -0.058 4.580 4.640 -0.003 0.000 0.226 247 D C 1.501 178.002 176.300 0.335 0.000 1.020 247 D CA 0.447 54.515 54.000 0.112 0.000 0.892 247 D CB 0.409 41.298 40.800 0.150 0.000 0.900 247 D HN 0.301 nan 8.370 nan 0.000 0.531 248 Q N -1.014 118.967 119.800 0.302 0.000 2.319 248 Q HA 0.211 4.549 4.340 -0.003 0.000 0.209 248 Q C -0.444 175.784 176.000 0.380 0.000 0.884 248 Q CA -0.491 55.486 55.803 0.290 0.000 0.938 248 Q CB -0.111 28.765 28.738 0.230 0.000 1.098 248 Q HN 0.221 nan 8.270 nan 0.000 0.517 249 F N 1.507 121.619 119.950 0.270 0.000 2.612 249 F HA -0.066 4.458 4.527 -0.003 0.000 0.389 249 F C 0.991 176.929 175.800 0.230 0.000 1.055 249 F CA -0.876 57.314 58.000 0.317 0.000 1.232 249 F CB -0.005 39.214 39.000 0.366 0.000 1.044 249 F HN 0.232 nan 8.300 nan 0.000 0.560 250 F N 4.840 124.700 119.950 -0.150 0.000 2.085 250 F HA -0.243 4.282 4.527 -0.003 0.000 0.299 250 F C 1.799 177.278 175.800 -0.535 0.000 1.096 250 F CA 1.775 59.590 58.000 -0.307 0.000 1.227 250 F CB -1.185 37.648 39.000 -0.277 0.000 0.983 250 F HN 0.418 nan 8.300 nan 0.000 0.482 251 A N 0.280 121.580 122.820 -2.532 0.000 1.902 251 A HA -0.143 4.175 4.320 -0.003 0.000 0.217 251 A C 2.149 179.353 177.584 -0.633 0.000 1.181 251 A CA 1.538 52.336 52.037 -2.065 0.000 0.623 251 A CB -1.565 16.137 19.000 -2.163 0.000 0.818 251 A HN 0.576 nan 8.150 nan 0.000 0.443 252 F N 0.643 120.370 119.950 -0.371 0.000 2.186 252 F HA -0.097 4.428 4.527 -0.003 0.000 0.299 252 F C 2.381 177.981 175.800 -0.333 0.000 1.090 252 F CA 1.497 59.268 58.000 -0.382 0.000 1.307 252 F CB -0.228 38.693 39.000 -0.131 0.000 1.019 252 F HN 0.115 nan 8.300 nan 0.000 0.489 253 R N -0.013 120.379 120.500 -0.180 0.000 2.091 253 R HA -0.215 4.123 4.340 -0.003 0.000 0.238 253 R C 2.167 178.310 176.300 -0.262 0.000 1.136 253 R CA 1.639 57.627 56.100 -0.187 0.000 0.959 253 R CB -0.892 29.384 30.300 -0.039 0.000 0.856 253 R HN 0.381 nan 8.270 nan 0.000 0.437 254 D N 0.359 120.609 120.400 -0.250 0.000 2.178 254 D HA -0.118 4.519 4.640 -0.003 0.000 0.201 254 D C 1.681 177.838 176.300 -0.238 0.000 0.980 254 D CA 1.040 54.939 54.000 -0.168 0.000 0.842 254 D CB 0.326 41.115 40.800 -0.019 0.000 0.948 254 D HN 0.033 nan 8.370 nan 0.000 0.472 255 V N 1.063 120.748 119.914 -0.380 0.000 2.453 255 V HA -0.172 3.946 4.120 -0.003 0.000 0.247 255 V C 2.680 178.501 176.094 -0.455 0.000 1.048 255 V CA 0.764 62.807 62.300 -0.430 0.000 1.049 255 V CB -0.352 31.087 31.823 -0.641 0.000 0.672 255 V HN 0.235 nan 8.190 nan 0.000 0.457 256 L N -0.528 120.338 121.223 -0.596 0.000 2.265 256 L HA -0.206 4.132 4.340 -0.003 0.000 0.215 256 L C 2.417 179.144 176.870 -0.239 0.000 1.117 256 L CA 1.429 56.006 54.840 -0.439 0.000 0.782 256 L CB -0.293 41.517 42.059 -0.415 0.000 0.914 256 L HN 0.438 nan 8.230 nan 0.000 0.441 257 Q N -1.020 118.651 119.800 -0.215 0.000 2.481 257 Q HA 0.025 4.363 4.340 -0.003 0.000 0.219 257 Q C 1.703 177.612 176.000 -0.151 0.000 0.920 257 Q CA 0.345 56.059 55.803 -0.148 0.000 0.915 257 Q CB 0.311 28.979 28.738 -0.118 0.000 1.057 257 Q HN 0.259 nan 8.270 nan 0.000 0.581 258 K N 0.626 120.922 120.400 -0.173 0.000 2.404 258 K HA 0.155 4.473 4.320 -0.003 0.000 0.194 258 K C 1.003 177.458 176.600 -0.242 0.000 1.023 258 K CA 0.520 56.697 56.287 -0.184 0.000 1.094 258 K CB 0.548 32.944 32.500 -0.175 0.000 0.841 258 K HN 0.288 nan 8.250 nan 0.000 0.523 259 G N 2.886 111.540 108.800 -0.243 0.000 2.698 259 G HA2 -0.456 3.502 3.960 -0.003 0.000 0.337 259 G HA3 -0.456 3.502 3.960 -0.003 0.000 0.337 259 G C 0.904 175.494 174.900 -0.517 0.000 1.286 259 G CA 0.965 45.873 45.100 -0.321 0.000 1.000 259 G HN 0.459 nan 8.290 nan 0.000 0.547 260 E N 0.484 119.992 120.200 -1.154 0.000 2.160 260 E HA -0.151 4.197 4.350 -0.003 0.000 0.195 260 E C 2.284 178.660 176.600 -0.374 0.000 0.991 260 E CA 1.537 57.369 56.400 -0.947 0.000 0.810 260 E CB -0.134 28.985 29.700 -0.969 0.000 0.742 260 E HN 0.673 nan 8.360 nan 0.000 0.466 261 Q N 0.350 119.951 119.800 -0.332 0.000 2.228 261 Q HA 0.117 4.455 4.340 -0.003 0.000 0.211 261 Q C -0.283 175.592 176.000 -0.207 0.000 0.890 261 Q CA -0.294 55.376 55.803 -0.221 0.000 0.953 261 Q CB 0.791 29.413 28.738 -0.195 0.000 1.053 261 Q HN -0.080 nan 8.270 nan 0.000 0.471 262 S N 0.452 116.027 115.700 -0.209 0.000 2.489 262 S HA 0.189 4.657 4.470 -0.003 0.000 0.277 262 S C 0.856 175.281 174.600 -0.292 0.000 1.230 262 S CA -0.579 57.488 58.200 -0.221 0.000 1.053 262 S CB 0.845 63.942 63.200 -0.173 0.000 0.955 262 S HN 0.283 nan 8.310 nan 0.000 0.488 263 R N 3.858 124.063 120.500 -0.492 0.000 2.303 263 R HA -0.040 4.298 4.340 -0.003 0.000 0.225 263 R C 0.006 175.737 176.300 -0.948 0.000 1.114 263 R CA 1.727 57.397 56.100 -0.716 0.000 1.007 263 R CB -0.424 29.326 30.300 -0.917 0.000 0.861 263 R HN 0.832 nan 8.270 nan 0.000 0.471 264 Y N -0.746 119.347 120.300 -0.344 0.000 2.660 264 Y HA 0.197 4.745 4.550 -0.003 0.000 0.254 264 Y C 1.193 177.125 175.900 0.053 0.000 1.176 264 Y CA -0.442 57.382 58.100 -0.460 0.000 1.195 264 Y CB 0.244 38.266 38.460 -0.731 0.000 1.190 264 Y HN 0.052 nan 8.280 nan 0.000 0.535 265 K N -0.351 120.119 120.400 0.117 0.000 2.160 265 K HA -0.185 4.133 4.320 -0.003 0.000 0.206 265 K C 0.400 177.181 176.600 0.301 0.000 1.047 265 K CA 2.135 58.547 56.287 0.207 0.000 0.930 265 K CB -0.107 32.487 32.500 0.157 0.000 0.720 265 K HN 0.149 nan 8.250 nan 0.000 0.450 266 D N -0.577 119.997 120.400 0.290 0.000 2.319 266 D HA -0.014 4.624 4.640 -0.003 0.000 0.230 266 D C 0.304 176.751 176.300 0.246 0.000 1.094 266 D CA 0.276 54.411 54.000 0.226 0.000 0.856 266 D CB 0.014 40.907 40.800 0.155 0.000 0.915 266 D HN 0.372 nan 8.370 nan 0.000 0.517 267 W N 0.013 121.331 121.300 0.031 0.000 3.197 267 W HA 0.168 4.826 4.660 -0.004 0.000 0.274 267 W C 0.204 176.352 176.519 -0.617 0.000 1.297 267 W CA -0.180 56.981 57.345 -0.306 0.000 1.662 267 W CB -0.032 29.202 29.460 -0.376 0.000 1.106 267 W HN -0.191 nan 8.180 nan 0.000 0.663 268 F N -2.107 117.880 119.950 0.062 0.000 2.790 268 F HA 0.459 4.983 4.527 -0.004 0.000 0.337 268 F C -0.768 174.896 175.800 -0.227 0.000 1.163 268 F CA -2.084 55.910 58.000 -0.010 0.000 0.997 268 F CB 0.138 39.279 39.000 0.235 0.000 1.437 268 F HN -0.534 nan 8.300 nan 0.000 0.512 269 F N 2.224 122.408 119.950 0.390 0.000 2.318 269 F HA 0.487 5.012 4.527 -0.003 0.000 0.356 269 F C -0.352 175.588 175.800 0.234 0.000 1.109 269 F CA -0.404 57.739 58.000 0.239 0.000 1.234 269 F CB 0.218 39.323 39.000 0.176 0.000 1.545 269 F HN 0.020 nan 8.300 nan 0.000 0.534 270 I N 2.322 123.051 120.570 0.265 0.000 2.321 270 I HA 0.235 4.403 4.170 -0.003 0.000 0.291 270 I C 0.907 177.030 176.117 0.011 0.000 0.998 270 I CA -0.368 61.009 61.300 0.128 0.000 1.227 270 I CB 1.557 39.526 38.000 -0.051 0.000 1.368 270 I HN 0.373 nan 8.210 nan 0.000 0.466 271 E N 3.575 123.788 120.200 0.021 0.000 2.001 271 E HA -0.085 4.263 4.350 -0.003 0.000 0.195 271 E C -0.574 175.936 176.600 -0.150 0.000 1.002 271 E CA 1.561 57.947 56.400 -0.022 0.000 0.819 271 E CB 0.189 29.894 29.700 0.009 0.000 0.769 271 E HN 0.722 nan 8.360 nan 0.000 0.454 272 D N -2.779 117.479 120.400 -0.236 0.000 2.643 272 D HA 0.398 5.036 4.640 -0.003 0.000 0.283 272 D C -1.076 174.931 176.300 -0.489 0.000 1.242 272 D CA -0.677 53.103 54.000 -0.366 0.000 0.863 272 D CB 0.739 41.472 40.800 -0.112 0.000 1.382 272 D HN -0.110 nan 8.370 nan 0.000 0.444 273 F N 0.177 120.141 119.950 0.023 0.000 2.523 273 F HA 0.558 5.083 4.527 -0.003 0.000 0.329 273 F C -1.580 174.223 175.800 0.006 0.000 1.061 273 F CA -1.708 56.292 58.000 0.000 0.000 0.967 273 F CB 0.118 39.105 39.000 -0.023 0.000 1.218 273 F HN 0.089 nan 8.300 nan 0.000 0.480 274 P HA 0.076 nan 4.420 nan 0.000 0.270 274 P C 0.715 178.117 177.300 0.170 0.000 1.223 274 P CA -0.292 62.923 63.100 0.192 0.000 0.785 274 P CB 0.866 32.620 31.700 0.090 0.000 0.923 275 V N -0.666 119.348 119.914 0.168 0.000 2.660 275 V HA -0.133 3.985 4.120 -0.003 0.000 0.257 275 V C 1.436 177.528 176.094 -0.003 0.000 1.088 275 V CA 2.026 64.344 62.300 0.029 0.000 1.106 275 V CB -1.156 30.592 31.823 -0.125 0.000 0.686 275 V HN 0.893 nan 8.190 nan 0.000 0.481 276 S N -1.203 114.540 115.700 0.072 0.000 2.671 276 S HA 0.619 5.087 4.470 -0.003 0.000 0.270 276 S C -1.784 172.890 174.600 0.123 0.000 1.166 276 S CA -0.490 57.807 58.200 0.163 0.000 0.868 276 S CB 1.667 64.978 63.200 0.185 0.000 1.190 276 S HN 0.633 nan 8.310 nan 0.000 0.494 277 K N -0.005 120.478 120.400 0.138 0.000 2.736 277 K HA 0.362 4.680 4.320 -0.003 0.000 0.290 277 K C -1.616 175.036 176.600 0.087 0.000 1.033 277 K CA -0.952 55.389 56.287 0.090 0.000 0.852 277 K CB 0.422 32.963 32.500 0.069 0.000 1.494 277 K HN 0.478 nan 8.250 nan 0.000 0.378 278 T N 1.560 116.150 114.554 0.061 0.000 2.851 278 T HA 0.201 4.549 4.350 -0.003 0.000 0.298 278 T C 0.349 175.070 174.700 0.034 0.000 0.977 278 T CA 0.694 62.824 62.100 0.051 0.000 1.126 278 T CB 0.576 69.468 68.868 0.040 0.000 0.916 278 T HN 0.774 nan 8.240 nan 0.000 0.529 279 S N 0.323 116.039 115.700 0.026 0.000 2.769 279 S HA -0.198 4.270 4.470 -0.003 0.000 0.264 279 S C 0.406 175.004 174.600 -0.003 0.000 1.288 279 S CA 1.310 59.515 58.200 0.007 0.000 1.378 279 S CB -0.918 62.284 63.200 0.004 0.000 1.702 279 S HN 0.831 nan 8.310 nan 0.000 0.656 280 R N 2.177 122.682 120.500 0.007 0.000 2.532 280 R HA 0.580 4.918 4.340 -0.003 0.000 0.297 280 R C -1.017 175.278 176.300 -0.009 0.000 0.984 280 R CA 0.201 56.298 56.100 -0.005 0.000 0.884 280 R CB 1.268 31.574 30.300 0.011 0.000 1.182 280 R HN 0.189 nan 8.270 nan 0.000 0.442 281 T N 2.294 116.799 114.554 -0.082 0.000 2.779 281 T HA 0.331 4.679 4.350 -0.003 0.000 0.280 281 T C 0.208 174.829 174.700 -0.133 0.000 0.987 281 T CA -0.966 61.011 62.100 -0.204 0.000 0.966 281 T CB 1.043 69.617 68.868 -0.490 0.000 0.933 281 T HN 0.678 nan 8.240 nan 0.000 0.442 282 N N 1.644 120.363 118.700 0.032 0.000 2.321 282 N HA 0.115 4.853 4.740 -0.003 0.000 0.242 282 N C -0.662 174.976 175.510 0.214 0.000 1.141 282 N CA -0.603 52.507 53.050 0.099 0.000 0.864 282 N CB 0.038 38.590 38.487 0.108 0.000 1.100 282 N HN 0.869 nan 8.380 nan 0.000 0.510 283 Y N -2.249 118.085 120.300 0.057 0.000 2.571 283 Y HA 0.523 5.071 4.550 -0.003 0.000 0.341 283 Y C -0.266 175.708 175.900 0.123 0.000 1.076 283 Y CA -1.608 56.558 58.100 0.111 0.000 1.029 283 Y CB 0.687 39.245 38.460 0.164 0.000 1.308 283 Y HN -0.112 nan 8.280 nan 0.000 0.461 284 E N 1.654 121.997 120.200 0.238 0.000 2.392 284 E HA 0.457 4.805 4.350 -0.003 0.000 0.264 284 E C -0.421 176.255 176.600 0.125 0.000 1.024 284 E CA 0.347 56.818 56.400 0.119 0.000 0.903 284 E CB 0.779 30.554 29.700 0.124 0.000 0.963 284 E HN 0.853 nan 8.360 nan 0.000 0.432 285 T N 0.505 115.058 114.554 -0.001 0.000 2.812 285 T HA 0.690 5.038 4.350 -0.003 0.000 0.294 285 T C -0.367 174.319 174.700 -0.023 0.000 1.159 285 T CA -0.595 61.497 62.100 -0.013 0.000 1.008 285 T CB 0.899 69.681 68.868 -0.142 0.000 1.289 285 T HN 0.595 nan 8.240 nan 0.000 0.514 286 A N 0.938 123.711 122.820 -0.078 0.000 2.540 286 A HA 0.610 4.928 4.320 -0.003 0.000 0.239 286 A C 1.466 179.023 177.584 -0.046 0.000 1.061 286 A CA 0.442 52.444 52.037 -0.057 0.000 0.758 286 A CB -1.507 17.317 19.000 -0.295 0.000 0.991 286 A HN 2.508 nan 8.150 nan 0.000 0.502 287 A N 1.378 124.197 122.820 -0.000 0.000 5.483 287 A HA -0.136 4.182 4.320 -0.003 0.000 0.309 287 A C 0.457 178.017 177.584 -0.040 0.000 1.898 287 A CA 1.320 53.347 52.037 -0.017 0.000 0.716 287 A CB -1.989 16.994 19.000 -0.028 0.000 1.309 287 A HN 2.063 nan 8.150 nan 0.000 0.380 288 V N 0.552 120.435 119.914 -0.052 0.000 2.487 288 V HA 0.596 4.714 4.120 -0.003 0.000 0.298 288 V C 0.079 176.128 176.094 -0.075 0.000 1.028 288 V CA 0.255 62.518 62.300 -0.061 0.000 0.860 288 V CB 1.469 33.261 31.823 -0.051 0.000 0.991 288 V HN 1.006 nan 8.190 nan 0.000 0.427 289 Q N 2.162 121.906 119.800 -0.093 0.000 2.454 289 Q HA -0.148 4.190 4.340 -0.003 0.000 0.341 289 Q C -0.535 175.406 176.000 -0.098 0.000 1.437 289 Q CA 0.414 56.155 55.803 -0.103 0.000 0.935 289 Q CB -0.782 27.911 28.738 -0.075 0.000 1.164 289 Q HN 0.681 nan 8.270 nan 0.000 0.373 290 V N 1.204 121.047 119.914 -0.119 0.000 2.315 290 V HA 0.107 4.225 4.120 -0.003 0.000 0.265 290 V C -0.903 175.132 176.094 -0.099 0.000 1.019 290 V CA -0.659 61.584 62.300 -0.095 0.000 0.824 290 V CB 1.251 33.012 31.823 -0.104 0.000 1.072 290 V HN 0.149 nan 8.190 nan 0.000 0.448 291 P HA -0.209 nan 4.420 nan 0.000 0.218 291 P C 1.319 178.689 177.300 0.115 0.000 1.146 291 P CA 1.767 64.875 63.100 0.013 0.000 0.813 291 P CB 0.514 32.264 31.700 0.083 0.000 0.778 292 A N -0.981 121.876 122.820 0.062 0.000 2.168 292 A HA 0.068 4.386 4.320 -0.003 0.000 0.215 292 A C 1.635 179.236 177.584 0.029 0.000 1.152 292 A CA 0.648 52.731 52.037 0.077 0.000 0.716 292 A CB -0.759 18.307 19.000 0.111 0.000 0.794 292 A HN 0.204 nan 8.150 nan 0.000 0.465 293 M N 1.518 121.092 119.600 -0.042 0.000 2.488 293 M HA 0.230 4.708 4.480 -0.003 0.000 0.204 293 M C -2.840 173.432 176.300 -0.046 0.000 0.969 293 M CA -1.775 53.450 55.300 -0.126 0.000 0.720 293 M CB 1.606 33.907 32.600 -0.498 0.000 1.427 293 M HN -0.037 nan 8.290 nan 0.000 0.427 294 P HA 0.027 nan 4.420 nan 0.000 0.271 294 P C -0.682 176.840 177.300 0.370 0.000 1.226 294 P CA 0.103 63.336 63.100 0.223 0.000 0.765 294 P CB 0.692 32.328 31.700 -0.106 0.000 0.835 295 K N 4.072 124.711 120.400 0.398 0.000 2.448 295 K HA 0.117 4.435 4.320 -0.003 0.000 0.278 295 K C -0.262 176.577 176.600 0.399 0.000 1.009 295 K CA -0.249 56.280 56.287 0.403 0.000 0.995 295 K CB 0.053 32.780 32.500 0.378 0.000 0.917 295 K HN 0.468 nan 8.250 nan 0.000 0.481 296 L N 4.474 125.816 121.223 0.198 0.000 2.312 296 L HA 0.301 4.638 4.340 -0.003 0.000 0.281 296 L C 0.769 177.589 176.870 -0.083 0.000 1.070 296 L CA -0.417 54.382 54.840 -0.069 0.000 0.805 296 L CB 1.133 43.076 42.059 -0.194 0.000 1.174 296 L HN 0.612 nan 8.230 nan 0.000 0.434 297 R N 1.269 121.578 120.500 -0.318 0.000 3.266 297 R HA 0.042 4.380 4.340 -0.003 0.000 0.224 297 R C 1.146 177.231 176.300 -0.359 0.000 1.525 297 R CA 0.020 55.906 56.100 -0.358 0.000 1.364 297 R CB 0.117 30.031 30.300 -0.644 0.000 1.276 297 R HN 0.829 nan 8.270 nan 0.000 0.660 298 T N -1.240 113.112 114.554 -0.337 0.000 3.025 298 T HA -0.119 4.229 4.350 -0.003 0.000 0.270 298 T C 1.053 175.578 174.700 -0.291 0.000 1.126 298 T CA 1.075 62.878 62.100 -0.494 0.000 1.105 298 T CB 0.011 68.400 68.868 -0.798 0.000 0.884 298 T HN 0.571 nan 8.240 nan 0.000 0.522 299 E N 1.052 121.146 120.200 -0.176 0.000 2.358 299 E HA 0.034 4.382 4.350 -0.003 0.000 0.195 299 E C 0.687 177.205 176.600 -0.137 0.000 1.010 299 E CA -0.106 56.240 56.400 -0.090 0.000 0.856 299 E CB 0.025 29.721 29.700 -0.005 0.000 0.795 299 E HN 0.422 nan 8.360 nan 0.000 0.504 300 N N 1.551 120.106 118.700 -0.241 0.000 2.411 300 N HA 0.005 4.743 4.740 -0.003 0.000 0.259 300 N C -1.690 173.630 175.510 -0.316 0.000 1.103 300 N CA -1.830 51.051 53.050 -0.282 0.000 0.954 300 N CB 1.147 39.384 38.487 -0.417 0.000 1.085 300 N HN -0.131 nan 8.380 nan 0.000 0.485 301 P HA -0.186 nan 4.420 nan 0.000 0.217 301 P C 0.536 177.692 177.300 -0.241 0.000 1.148 301 P CA 1.408 64.398 63.100 -0.183 0.000 0.834 301 P CB 0.538 32.184 31.700 -0.089 0.000 0.783 302 E N -0.405 119.615 120.200 -0.301 0.000 2.107 302 E HA -0.068 4.280 4.350 -0.003 0.000 0.191 302 E C 2.164 178.329 176.600 -0.726 0.000 0.982 302 E CA 0.788 57.002 56.400 -0.310 0.000 0.809 302 E CB -0.327 29.324 29.700 -0.082 0.000 0.756 302 E HN 0.099 nan 8.360 nan 0.000 0.459 303 V N 1.752 121.002 119.914 -1.108 0.000 2.358 303 V HA -0.255 3.863 4.120 -0.003 0.000 0.246 303 V C 2.390 178.142 176.094 -0.570 0.000 1.047 303 V CA 1.716 63.353 62.300 -1.105 0.000 1.035 303 V CB -0.403 30.835 31.823 -0.976 0.000 0.658 303 V HN 0.195 nan 8.190 nan 0.000 0.452 304 K N 0.293 120.407 120.400 -0.477 0.000 2.032 304 K HA -0.285 4.033 4.320 -0.003 0.000 0.209 304 K C 2.213 178.451 176.600 -0.603 0.000 1.048 304 K CA 2.118 58.126 56.287 -0.465 0.000 0.927 304 K CB -0.147 32.091 32.500 -0.436 0.000 0.712 304 K HN 0.400 nan 8.250 nan 0.000 0.441 305 E N -0.150 119.851 120.200 -0.331 0.000 2.153 305 E HA -0.218 4.130 4.350 -0.003 0.000 0.194 305 E C 1.768 178.381 176.600 0.021 0.000 0.988 305 E CA 1.349 57.687 56.400 -0.103 0.000 0.811 305 E CB -0.384 29.321 29.700 0.009 0.000 0.746 305 E HN 0.477 nan 8.360 nan 0.000 0.466 306 Y N 0.278 120.510 120.300 -0.114 0.000 2.163 306 Y HA -0.086 4.462 4.550 -0.003 0.000 0.288 306 Y C 1.902 177.768 175.900 -0.056 0.000 1.136 306 Y CA 1.780 59.887 58.100 0.012 0.000 1.147 306 Y CB -0.195 38.342 38.460 0.128 0.000 0.987 306 Y HN 0.037 nan 8.280 nan 0.000 0.509 307 L N -0.921 120.269 121.223 -0.054 0.000 2.083 307 L HA -0.248 4.090 4.340 -0.003 0.000 0.209 307 L C 2.409 179.242 176.870 -0.061 0.000 1.083 307 L CA 1.475 56.111 54.840 -0.340 0.000 0.752 307 L CB -0.723 40.998 42.059 -0.564 0.000 0.899 307 L HN 0.288 nan 8.230 nan 0.000 0.433 308 F N -0.067 119.850 119.950 -0.056 0.000 2.134 308 F HA -0.260 4.265 4.527 -0.003 0.000 0.299 308 F C 2.408 178.209 175.800 0.003 0.000 1.097 308 F CA 0.501 58.504 58.000 0.006 0.000 1.264 308 F CB -0.175 38.812 39.000 -0.022 0.000 1.001 308 F HN 0.169 nan 8.300 nan 0.000 0.479 309 D N 0.216 120.701 120.400 0.142 0.000 2.144 309 D HA -0.139 4.499 4.640 -0.003 0.000 0.199 309 D C 2.302 178.628 176.300 0.044 0.000 0.984 309 D CA 0.862 54.886 54.000 0.041 0.000 0.834 309 D CB -0.295 40.457 40.800 -0.080 0.000 0.955 309 D HN 0.032 nan 8.370 nan 0.000 0.465 310 V N 1.175 121.072 119.914 -0.029 0.000 2.343 310 V HA -0.253 3.864 4.120 -0.003 0.000 0.247 310 V C 2.512 178.921 176.094 0.525 0.000 1.051 310 V CA 1.799 64.207 62.300 0.180 0.000 1.036 310 V CB -0.725 31.168 31.823 0.116 0.000 0.654 310 V HN 0.185 nan 8.190 nan 0.000 0.451 311 A N 0.081 123.139 122.820 0.397 0.000 1.877 311 A HA -0.218 4.100 4.320 -0.003 0.000 0.216 311 A C 2.370 180.297 177.584 0.571 0.000 1.186 311 A CA 1.771 54.091 52.037 0.471 0.000 0.620 311 A CB -0.514 18.643 19.000 0.261 0.000 0.822 311 A HN 0.497 nan 8.150 nan 0.000 0.443 312 R N -1.743 118.959 120.500 0.337 0.000 2.096 312 R HA -0.173 4.165 4.340 -0.003 0.000 0.240 312 R C 2.085 178.569 176.300 0.307 0.000 1.139 312 R CA 1.657 57.915 56.100 0.265 0.000 0.952 312 R CB -0.772 29.628 30.300 0.166 0.000 0.854 312 R HN 0.636 nan 8.270 nan 0.000 0.436 313 F N 0.438 120.453 119.950 0.109 0.000 2.025 313 F HA -0.303 4.222 4.527 -0.003 0.000 0.297 313 F C 1.881 177.683 175.800 0.004 0.000 1.132 313 F CA 1.729 59.685 58.000 -0.074 0.000 1.191 313 F CB -0.298 38.497 39.000 -0.341 0.000 0.963 313 F HN 0.019 nan 8.300 nan 0.000 0.481 314 W N -0.004 121.400 121.300 0.173 0.000 2.465 314 W HA -0.117 4.541 4.660 -0.003 0.000 0.268 314 W C 2.304 178.858 176.519 0.059 0.000 1.242 314 W CA 0.552 57.907 57.345 0.015 0.000 1.248 314 W CB -0.434 29.187 29.460 0.268 0.000 1.118 314 W HN 0.045 nan 8.180 nan 0.000 0.587 315 M N -0.301 119.548 119.600 0.415 0.000 2.394 315 M HA -0.123 4.355 4.480 -0.003 0.000 0.264 315 M C 1.782 178.166 176.300 0.140 0.000 1.073 315 M CA 1.355 56.813 55.300 0.262 0.000 1.111 315 M CB -0.365 32.430 32.600 0.325 0.000 1.401 315 M HN 0.063 nan 8.290 nan 0.000 0.448 316 E N 0.081 120.330 120.200 0.083 0.000 2.274 316 E HA -0.139 4.208 4.350 -0.003 0.000 0.194 316 E C 1.650 178.224 176.600 -0.044 0.000 0.996 316 E CA 0.609 57.013 56.400 0.005 0.000 0.840 316 E CB 0.310 29.994 29.700 -0.027 0.000 0.772 316 E HN 0.435 nan 8.360 nan 0.000 0.491 317 Q N -0.958 118.814 119.800 -0.047 0.000 2.444 317 Q HA 0.037 4.375 4.340 -0.003 0.000 0.206 317 Q C 1.108 177.133 176.000 0.042 0.000 0.948 317 Q CA 0.873 56.682 55.803 0.010 0.000 0.946 317 Q CB 1.095 29.947 28.738 0.190 0.000 1.027 317 Q HN 0.388 nan 8.270 nan 0.000 0.513 318 G N 1.883 110.712 108.800 0.048 0.000 2.131 318 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.223 318 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.223 318 G C 0.333 175.243 174.900 0.016 0.000 0.990 318 G CA 0.278 45.389 45.100 0.018 0.000 0.671 318 G HN 0.471 nan 8.290 nan 0.000 0.521 319 I N -2.854 117.755 120.570 0.064 0.000 3.194 319 I HA 0.516 4.684 4.170 -0.003 0.000 0.283 319 I C 0.631 176.754 176.117 0.009 0.000 1.199 319 I CA -0.041 61.269 61.300 0.017 0.000 1.328 319 I CB 0.570 38.530 38.000 -0.067 0.000 1.404 319 I HN -0.094 nan 8.210 nan 0.000 0.618 320 D N 1.893 122.293 120.400 0.001 0.000 2.441 320 D HA 0.315 4.953 4.640 -0.003 0.000 0.210 320 D C 0.525 176.902 176.300 0.128 0.000 1.102 320 D CA 0.418 54.447 54.000 0.049 0.000 0.840 320 D CB 1.284 42.052 40.800 -0.053 0.000 0.990 320 D HN 0.866 nan 8.370 nan 0.000 0.505 321 G N 0.102 108.882 108.800 -0.033 0.000 2.349 321 G HA2 0.373 4.331 3.960 -0.003 0.000 0.294 321 G HA3 0.373 4.331 3.960 -0.003 0.000 0.294 321 G C -2.242 172.536 174.900 -0.205 0.000 1.380 321 G CA -1.028 44.081 45.100 0.016 0.000 0.811 321 G HN -0.012 nan 8.290 nan 0.000 0.519 322 W N -0.169 121.228 121.300 0.161 0.000 2.915 322 W HA 0.771 5.429 4.660 -0.004 0.000 0.337 322 W C -0.049 176.395 176.519 -0.125 0.000 1.102 322 W CA -0.974 56.420 57.345 0.083 0.000 1.224 322 W CB 2.037 31.605 29.460 0.181 0.000 1.416 322 W HN 0.407 nan 8.180 nan 0.000 0.503 323 R N 3.671 124.198 120.500 0.046 0.000 2.246 323 R HA 0.458 4.796 4.340 -0.003 0.000 0.332 323 R C -0.994 175.136 176.300 -0.284 0.000 0.974 323 R CA -0.629 55.299 56.100 -0.286 0.000 0.837 323 R CB 0.228 30.336 30.300 -0.321 0.000 1.145 323 R HN 0.739 nan 8.270 nan 0.000 0.467 324 L N 2.928 123.834 121.223 -0.529 0.000 2.380 324 L HA 0.310 4.648 4.340 -0.003 0.000 0.273 324 L C 0.717 177.319 176.870 -0.447 0.000 1.138 324 L CA -0.124 54.361 54.840 -0.592 0.000 0.832 324 L CB 0.708 42.142 42.059 -1.043 0.000 1.124 324 L HN 0.323 nan 8.230 nan 0.000 0.454 325 D N 2.149 122.380 120.400 -0.282 0.000 2.233 325 D HA 0.213 4.851 4.640 -0.003 0.000 0.240 325 D C 0.242 176.485 176.300 -0.095 0.000 1.074 325 D CA -0.293 53.631 54.000 -0.126 0.000 0.838 325 D CB 1.896 42.706 40.800 0.015 0.000 1.124 325 D HN 0.387 nan 8.370 nan 0.000 0.475 326 V N 3.235 123.088 119.914 -0.102 0.000 5.325 326 V HA -0.326 3.792 4.120 -0.003 0.000 0.291 326 V C 1.668 177.732 176.094 -0.051 0.000 0.541 326 V CA 1.029 63.296 62.300 -0.055 0.000 0.687 326 V CB -2.216 29.647 31.823 0.067 0.000 0.491 326 V HN 0.731 nan 8.190 nan 0.000 1.145 327 A N 1.302 124.014 122.820 -0.180 0.000 1.969 327 A HA -0.184 4.134 4.320 -0.003 0.000 0.218 327 A C 1.815 179.459 177.584 0.100 0.000 1.169 327 A CA 1.726 53.752 52.037 -0.017 0.000 0.635 327 A CB -0.619 17.997 19.000 -0.640 0.000 0.810 327 A HN 1.116 nan 8.150 nan 0.000 0.445 328 N N -0.679 117.870 118.700 -0.250 0.000 2.651 328 N HA -0.144 4.594 4.740 -0.003 0.000 0.193 328 N C 0.818 176.433 175.510 0.175 0.000 1.149 328 N CA 1.041 53.932 53.050 -0.266 0.000 0.933 328 N CB -0.154 38.084 38.487 -0.414 0.000 0.974 328 N HN 0.644 nan 8.380 nan 0.000 0.448 329 E N 0.050 120.353 120.200 0.172 0.000 2.526 329 E HA 0.152 4.500 4.350 -0.003 0.000 0.208 329 E C -0.684 175.998 176.600 0.137 0.000 0.997 329 E CA -0.256 56.242 56.400 0.163 0.000 0.961 329 E CB 1.059 30.824 29.700 0.108 0.000 1.030 329 E HN 0.129 nan 8.360 nan 0.000 0.483 330 V N 3.205 123.235 119.914 0.193 0.000 2.532 330 V HA 0.039 4.156 4.120 -0.003 0.000 0.295 330 V C 0.175 176.274 176.094 0.009 0.000 1.041 330 V CA -1.028 61.233 62.300 -0.065 0.000 0.926 330 V CB 1.533 33.090 31.823 -0.444 0.000 0.992 330 V HN 0.221 nan 8.190 nan 0.000 0.457 331 D N 2.453 122.824 120.400 -0.048 0.000 2.449 331 D HA -0.080 4.557 4.640 -0.003 0.000 0.236 331 D C 0.664 177.071 176.300 0.178 0.000 1.149 331 D CA 0.071 54.138 54.000 0.110 0.000 0.878 331 D CB 0.920 41.777 40.800 0.096 0.000 1.198 331 D HN 0.603 nan 8.370 nan 0.000 0.446 332 H N 1.444 120.660 119.070 0.243 0.000 2.421 332 H HA -0.033 4.521 4.556 -0.003 0.000 0.298 332 H C 2.123 177.587 175.328 0.226 0.000 1.087 332 H CA 2.161 58.367 56.048 0.264 0.000 1.330 332 H CB -0.149 29.639 29.762 0.044 0.000 1.388 332 H HN 0.658 nan 8.280 nan 0.000 0.526 333 A N 0.425 123.407 122.820 0.271 0.000 1.908 333 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 333 A C 2.175 179.893 177.584 0.222 0.000 1.181 333 A CA 1.674 53.827 52.037 0.194 0.000 0.627 333 A CB -1.036 18.045 19.000 0.135 0.000 0.818 333 A HN 0.485 nan 8.150 nan 0.000 0.445 334 F N -1.019 118.946 119.950 0.026 0.000 2.102 334 F HA -0.172 4.353 4.527 -0.003 0.000 0.298 334 F C 2.096 178.026 175.800 0.216 0.000 1.105 334 F CA 1.785 59.765 58.000 -0.033 0.000 1.239 334 F CB -0.378 38.369 39.000 -0.422 0.000 0.991 334 F HN 0.426 nan 8.300 nan 0.000 0.474 335 W N 0.226 121.796 121.300 0.450 0.000 2.381 335 W HA -0.091 4.567 4.660 -0.004 0.000 0.301 335 W C 2.701 179.375 176.519 0.258 0.000 1.205 335 W CA 0.540 58.127 57.345 0.403 0.000 1.285 335 W CB -0.419 29.289 29.460 0.414 0.000 1.133 335 W HN -0.184 nan 8.180 nan 0.000 0.521 336 R N 0.628 121.369 120.500 0.402 0.000 2.105 336 R HA -0.177 4.161 4.340 -0.003 0.000 0.239 336 R C 1.837 178.230 176.300 0.154 0.000 1.135 336 R CA 1.750 57.980 56.100 0.216 0.000 0.967 336 R CB -0.266 30.122 30.300 0.146 0.000 0.861 336 R HN 0.275 nan 8.270 nan 0.000 0.442 337 E N -0.841 119.451 120.200 0.153 0.000 2.158 337 E HA -0.138 4.210 4.350 -0.003 0.000 0.191 337 E C 1.527 178.057 176.600 -0.116 0.000 0.982 337 E CA 0.593 57.027 56.400 0.057 0.000 0.823 337 E CB -0.049 29.748 29.700 0.161 0.000 0.766 337 E HN 0.198 nan 8.360 nan 0.000 0.468 338 F N 1.864 121.697 119.950 -0.195 0.000 2.102 338 F HA -0.196 4.329 4.527 -0.003 0.000 0.298 338 F C 2.342 178.053 175.800 -0.148 0.000 1.105 338 F CA 1.678 59.472 58.000 -0.342 0.000 1.239 338 F CB -0.040 39.043 39.000 0.138 0.000 0.991 338 F HN -0.186 nan 8.300 nan 0.000 0.474 339 R N 0.447 121.034 120.500 0.146 0.000 2.080 339 R HA -0.218 4.120 4.340 -0.003 0.000 0.236 339 R C 2.625 178.867 176.300 -0.097 0.000 1.137 339 R CA 1.755 57.879 56.100 0.041 0.000 0.943 339 R CB -0.571 29.804 30.300 0.126 0.000 0.846 339 R HN 0.232 nan 8.270 nan 0.000 0.431 340 R N 0.553 121.000 120.500 -0.088 0.000 2.103 340 R HA -0.202 4.136 4.340 -0.003 0.000 0.242 340 R C 2.338 178.533 176.300 -0.173 0.000 1.142 340 R CA 1.895 57.932 56.100 -0.105 0.000 0.960 340 R CB -0.489 29.761 30.300 -0.084 0.000 0.858 340 R HN 0.307 nan 8.270 nan 0.000 0.439 341 L N 0.524 121.556 121.223 -0.318 0.000 1.988 341 L HA -0.120 4.218 4.340 -0.003 0.000 0.207 341 L C 2.270 178.974 176.870 -0.278 0.000 1.071 341 L CA 1.553 56.177 54.840 -0.359 0.000 0.744 341 L CB -0.756 40.916 42.059 -0.645 0.000 0.893 341 L HN -0.063 nan 8.230 nan 0.000 0.433 342 V N 0.373 120.056 119.914 -0.386 0.000 2.324 342 V HA -0.307 3.811 4.120 -0.003 0.000 0.250 342 V C 2.744 178.801 176.094 -0.061 0.000 1.060 342 V CA 1.977 64.142 62.300 -0.225 0.000 1.042 342 V CB -0.867 30.767 31.823 -0.315 0.000 0.650 342 V HN 0.449 nan 8.190 nan 0.000 0.450 343 K N 0.671 121.033 120.400 -0.064 0.000 2.155 343 K HA -0.072 4.246 4.320 -0.003 0.000 0.203 343 K C 2.445 179.041 176.600 -0.005 0.000 1.052 343 K CA 1.580 57.864 56.287 -0.006 0.000 0.948 343 K CB -0.688 31.810 32.500 -0.003 0.000 0.728 343 K HN 0.694 nan 8.250 nan 0.000 0.448 344 S N 1.128 116.806 115.700 -0.036 0.000 2.402 344 S HA -0.050 4.418 4.470 -0.003 0.000 0.229 344 S C 2.115 176.713 174.600 -0.004 0.000 1.021 344 S CA 0.735 58.921 58.200 -0.023 0.000 0.974 344 S CB -0.465 62.708 63.200 -0.045 0.000 0.800 344 S HN 0.191 nan 8.310 nan 0.000 0.484 345 L N 0.453 121.676 121.223 -0.000 0.000 2.162 345 L HA 0.267 4.605 4.340 -0.003 0.000 0.205 345 L C 0.735 177.634 176.870 0.047 0.000 1.086 345 L CA 0.647 55.503 54.840 0.028 0.000 0.778 345 L CB -0.512 41.574 42.059 0.044 0.000 0.928 345 L HN 0.366 nan 8.230 nan 0.000 0.446 346 N N -0.365 118.369 118.700 0.057 0.000 2.664 346 N HA 0.142 4.880 4.740 -0.003 0.000 0.268 346 N C -2.061 173.501 175.510 0.087 0.000 1.222 346 N CA -1.414 51.682 53.050 0.076 0.000 0.805 346 N CB 1.280 39.826 38.487 0.098 0.000 1.399 346 N HN -0.269 nan 8.380 nan 0.000 0.547 347 P HA -0.105 nan 4.420 nan 0.000 0.220 347 P C -0.188 177.181 177.300 0.115 0.000 1.144 347 P CA 1.165 64.311 63.100 0.077 0.000 0.800 347 P CB 0.454 32.191 31.700 0.062 0.000 0.772 348 D N -0.552 119.945 120.400 0.160 0.000 2.328 348 D HA 0.201 4.839 4.640 -0.003 0.000 0.221 348 D C 0.772 177.307 176.300 0.392 0.000 1.072 348 D CA 0.007 54.175 54.000 0.280 0.000 0.850 348 D CB -0.154 40.835 40.800 0.316 0.000 0.922 348 D HN 0.142 nan 8.370 nan 0.000 0.516 349 A N 0.707 123.684 122.820 0.261 0.000 2.401 349 A HA 0.346 4.664 4.320 -0.003 0.000 0.259 349 A C -0.095 177.649 177.584 0.268 0.000 1.103 349 A CA -0.322 51.880 52.037 0.276 0.000 0.789 349 A CB 0.329 19.458 19.000 0.215 0.000 1.035 349 A HN 0.184 nan 8.150 nan 0.000 0.491 350 L N 2.908 124.322 121.223 0.317 0.000 2.334 350 L HA 0.590 4.928 4.340 -0.003 0.000 0.277 350 L C -0.444 176.539 176.870 0.189 0.000 1.075 350 L CA 0.013 54.979 54.840 0.210 0.000 0.804 350 L CB 0.944 43.148 42.059 0.241 0.000 1.174 350 L HN 0.585 nan 8.230 nan 0.000 0.438 351 I N 5.730 126.360 120.570 0.100 0.000 2.437 351 I HA 0.316 4.484 4.170 -0.003 0.000 0.279 351 I C -1.051 174.954 176.117 -0.187 0.000 1.028 351 I CA -0.592 60.745 61.300 0.063 0.000 1.142 351 I CB 1.462 39.567 38.000 0.176 0.000 1.266 351 I HN 0.209 nan 8.210 nan 0.000 0.461 352 V N 4.936 124.607 119.914 -0.406 0.000 2.435 352 V HA 0.656 4.774 4.120 -0.003 0.000 0.290 352 V C 0.724 176.290 176.094 -0.879 0.000 1.030 352 V CA -0.507 61.367 62.300 -0.710 0.000 0.881 352 V CB 1.493 32.605 31.823 -1.185 0.000 0.983 352 V HN 0.774 nan 8.190 nan 0.000 0.445 353 G N 2.495 110.731 108.800 -0.940 0.000 2.488 353 G HA2 0.631 4.589 3.960 -0.003 0.000 0.318 353 G HA3 0.631 4.589 3.960 -0.003 0.000 0.318 353 G C -0.851 173.593 174.900 -0.761 0.000 1.188 353 G CA -0.384 44.049 45.100 -1.113 0.000 0.944 353 G HN 0.708 nan 8.290 nan 0.000 0.495 354 E N 0.063 119.824 120.200 -0.732 0.000 2.325 354 E HA 0.483 4.831 4.350 -0.003 0.000 0.248 354 E C -1.308 174.821 176.600 -0.785 0.000 0.912 354 E CA -0.414 55.558 56.400 -0.715 0.000 0.782 354 E CB 0.926 30.278 29.700 -0.580 0.000 1.264 354 E HN 0.332 nan 8.360 nan 0.000 0.417 355 I N 3.835 123.936 120.570 -0.783 0.000 2.571 355 I HA 0.246 4.414 4.170 -0.003 0.000 0.289 355 I C -0.540 175.324 176.117 -0.422 0.000 1.115 355 I CA -0.708 60.216 61.300 -0.627 0.000 1.045 355 I CB 1.569 39.204 38.000 -0.608 0.000 1.238 355 I HN 0.642 nan 8.210 nan 0.000 0.424 356 W N 5.434 126.763 121.300 0.048 0.000 3.364 356 W HA 0.185 4.843 4.660 -0.003 0.000 0.397 356 W C 0.621 177.182 176.519 0.070 0.000 1.107 356 W CA -0.297 56.926 57.345 -0.204 0.000 1.892 356 W CB -0.138 29.125 29.460 -0.329 0.000 1.027 356 W HN 0.496 nan 8.180 nan 0.000 0.761 357 H N -2.556 116.729 119.070 0.358 0.000 2.960 357 H HA 0.140 4.694 4.556 -0.003 0.000 0.323 357 H C -0.774 174.817 175.328 0.439 0.000 1.326 357 H CA -1.328 54.971 56.048 0.418 0.000 1.124 357 H CB 0.318 30.242 29.762 0.271 0.000 1.853 357 H HN -0.283 nan 8.280 nan 0.000 0.536 358 D N 0.445 121.099 120.400 0.422 0.000 2.661 358 D HA 0.016 4.654 4.640 -0.003 0.000 0.244 358 D C 0.591 177.065 176.300 0.291 0.000 1.196 358 D CA 0.735 54.955 54.000 0.367 0.000 0.881 358 D CB 0.281 41.279 40.800 0.330 0.000 1.141 358 D HN 0.634 nan 8.370 nan 0.000 0.530 359 A N 3.164 126.178 122.820 0.323 0.000 2.460 359 A HA 0.061 4.379 4.320 -0.003 0.000 0.258 359 A C 1.949 179.641 177.584 0.180 0.000 1.300 359 A CA 0.432 52.611 52.037 0.236 0.000 0.913 359 A CB -0.182 18.783 19.000 -0.058 0.000 1.031 359 A HN 0.562 nan 8.150 nan 0.000 0.512 360 S N -0.254 115.575 115.700 0.214 0.000 2.380 360 S HA -0.172 4.296 4.470 -0.003 0.000 0.229 360 S C 1.943 176.535 174.600 -0.013 0.000 1.043 360 S CA 1.588 59.863 58.200 0.126 0.000 1.038 360 S CB -1.123 62.262 63.200 0.308 0.000 0.872 360 S HN 0.763 nan 8.310 nan 0.000 0.456 361 G N -0.395 108.326 108.800 -0.131 0.000 2.527 361 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.219 361 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.219 361 G C 0.972 175.549 174.900 -0.538 0.000 1.117 361 G CA 0.529 45.358 45.100 -0.452 0.000 0.759 361 G HN 0.655 nan 8.290 nan 0.000 0.556 362 W N -0.674 120.503 121.300 -0.206 0.000 2.998 362 W HA 0.405 5.063 4.660 -0.004 0.000 0.336 362 W C 0.578 176.812 176.519 -0.476 0.000 1.112 362 W CA -0.299 56.734 57.345 -0.519 0.000 1.682 362 W CB 0.341 29.266 29.460 -0.892 0.000 1.065 362 W HN 0.040 nan 8.180 nan 0.000 0.570 363 L N 0.775 121.931 121.223 -0.112 0.000 3.108 363 L HA 0.199 4.536 4.340 -0.003 0.000 0.251 363 L C 1.272 178.198 176.870 0.092 0.000 1.315 363 L CA -0.144 54.673 54.840 -0.038 0.000 1.048 363 L CB -0.038 41.890 42.059 -0.218 0.000 1.432 363 L HN -0.232 nan 8.230 nan 0.000 0.543 364 M N -0.383 119.149 119.600 -0.113 0.000 2.441 364 M HA 0.278 4.756 4.480 -0.003 0.000 0.244 364 M C 1.518 177.494 176.300 -0.539 0.000 1.122 364 M CA 0.612 55.843 55.300 -0.116 0.000 1.041 364 M CB 0.530 33.073 32.600 -0.095 0.000 1.438 364 M HN 0.362 nan 8.290 nan 0.000 0.484 365 G N -0.171 107.965 108.800 -1.106 0.000 2.253 365 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.209 365 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.209 365 G C 0.497 175.005 174.900 -0.652 0.000 0.997 365 G CA 0.338 44.456 45.100 -1.638 0.000 0.640 365 G HN 0.521 nan 8.290 nan 0.000 0.496 366 D N 0.135 120.311 120.400 -0.373 0.000 2.340 366 D HA 0.292 4.930 4.640 -0.003 0.000 0.217 366 D C 1.286 177.528 176.300 -0.097 0.000 1.081 366 D CA 0.665 54.558 54.000 -0.179 0.000 0.842 366 D CB 0.216 40.950 40.800 -0.110 0.000 0.934 366 D HN 0.567 nan 8.370 nan 0.000 0.511 367 Q N -1.079 118.632 119.800 -0.147 0.000 1.843 367 Q HA 0.276 4.614 4.340 -0.003 0.000 0.158 367 Q C -0.492 175.561 176.000 0.089 0.000 0.469 367 Q CA -0.516 55.252 55.803 -0.059 0.000 0.656 367 Q CB 0.610 29.183 28.738 -0.274 0.000 1.214 367 Q HN 0.034 nan 8.270 nan 0.000 0.292 368 F N 1.628 121.542 119.950 -0.060 0.000 2.378 368 F HA 0.225 4.750 4.527 -0.004 0.000 0.325 368 F C 1.025 176.795 175.800 -0.050 0.000 1.097 368 F CA -0.989 56.942 58.000 -0.115 0.000 1.079 368 F CB 0.270 39.128 39.000 -0.236 0.000 1.240 368 F HN 0.214 nan 8.300 nan 0.000 0.519 369 D N -0.365 120.140 120.400 0.176 0.000 2.213 369 D HA 0.021 4.658 4.640 -0.003 0.000 0.205 369 D C 0.458 176.819 176.300 0.100 0.000 0.961 369 D CA 1.106 55.207 54.000 0.168 0.000 0.853 369 D CB 0.413 41.254 40.800 0.068 0.000 0.967 369 D HN 0.477 nan 8.370 nan 0.000 0.496 370 S N -1.097 114.585 115.700 -0.030 0.000 2.655 370 S HA 0.549 5.017 4.470 -0.003 0.000 0.266 370 S C -0.856 173.586 174.600 -0.262 0.000 1.149 370 S CA -0.847 57.272 58.200 -0.134 0.000 0.818 370 S CB 1.836 64.926 63.200 -0.183 0.000 1.130 370 S HN -0.027 nan 8.310 nan 0.000 0.476 371 V N -2.115 117.632 119.914 -0.277 0.000 3.160 371 V HA 0.699 4.817 4.120 -0.003 0.000 0.310 371 V C -0.403 175.518 176.094 -0.288 0.000 1.181 371 V CA -1.357 60.738 62.300 -0.341 0.000 1.047 371 V CB 1.715 33.397 31.823 -0.236 0.000 1.068 371 V HN 0.963 nan 8.190 nan 0.000 0.441 372 M N 3.202 122.628 119.600 -0.290 0.000 2.238 372 M HA 0.245 4.723 4.480 -0.003 0.000 0.350 372 M C 0.233 176.573 176.300 0.068 0.000 1.321 372 M CA 0.400 55.648 55.300 -0.086 0.000 1.097 372 M CB -0.246 32.298 32.600 -0.094 0.000 1.713 372 M HN 0.910 nan 8.290 nan 0.000 0.455 373 N N 3.758 122.540 118.700 0.138 0.000 3.188 373 N HA 0.002 4.740 4.740 -0.003 0.000 0.279 373 N C 0.549 176.217 175.510 0.263 0.000 1.213 373 N CA -0.133 52.998 53.050 0.135 0.000 1.138 373 N CB -0.191 38.361 38.487 0.107 0.000 1.417 373 N HN 0.503 nan 8.380 nan 0.000 0.526 374 Y N 0.477 120.978 120.300 0.335 0.000 2.403 374 Y HA -0.005 4.543 4.550 -0.003 0.000 0.291 374 Y C 1.400 177.480 175.900 0.300 0.000 1.143 374 Y CA 0.711 59.049 58.100 0.397 0.000 1.257 374 Y CB -0.323 38.486 38.460 0.581 0.000 0.984 374 Y HN 0.239 nan 8.280 nan 0.000 0.550 375 L N -0.835 120.276 121.223 -0.186 0.000 2.141 375 L HA -0.111 4.227 4.340 -0.003 0.000 0.209 375 L C 2.385 179.319 176.870 0.106 0.000 1.094 375 L CA 1.395 56.192 54.840 -0.072 0.000 0.763 375 L CB -0.571 41.346 42.059 -0.237 0.000 0.908 375 L HN 0.373 nan 8.230 nan 0.000 0.437 376 F N 0.848 120.825 119.950 0.045 0.000 2.113 376 F HA -0.194 4.331 4.527 -0.003 0.000 0.297 376 F C 2.773 178.674 175.800 0.169 0.000 1.103 376 F CA 1.468 59.533 58.000 0.110 0.000 1.248 376 F CB -0.200 38.890 39.000 0.151 0.000 0.999 376 F HN -0.155 nan 8.300 nan 0.000 0.475 377 R N 0.505 121.190 120.500 0.308 0.000 2.073 377 R HA -0.178 4.160 4.340 -0.003 0.000 0.234 377 R C 2.241 178.613 176.300 0.121 0.000 1.134 377 R CA 2.082 58.298 56.100 0.193 0.000 0.952 377 R CB -0.471 30.022 30.300 0.320 0.000 0.850 377 R HN 0.407 nan 8.270 nan 0.000 0.433 378 E N -0.263 120.034 120.200 0.162 0.000 2.085 378 E HA -0.176 4.172 4.350 -0.003 0.000 0.194 378 E C 1.996 178.642 176.600 0.075 0.000 0.994 378 E CA 1.876 58.352 56.400 0.127 0.000 0.801 378 E CB 0.048 29.842 29.700 0.157 0.000 0.743 378 E HN 0.337 nan 8.360 nan 0.000 0.453 379 S N 0.289 116.007 115.700 0.030 0.000 2.368 379 S HA -0.136 4.332 4.470 -0.003 0.000 0.224 379 S C 2.325 176.992 174.600 0.111 0.000 1.029 379 S CA 1.255 59.479 58.200 0.040 0.000 0.988 379 S CB -0.199 62.952 63.200 -0.083 0.000 0.838 379 S HN 0.326 nan 8.310 nan 0.000 0.462 380 V N -0.002 119.914 119.914 0.003 0.000 2.667 380 V HA 0.052 4.170 4.120 -0.003 0.000 0.252 380 V C 1.822 178.094 176.094 0.297 0.000 1.065 380 V CA 1.091 63.452 62.300 0.101 0.000 1.083 380 V CB -0.842 30.922 31.823 -0.098 0.000 0.692 380 V HN 0.401 nan 8.190 nan 0.000 0.468 381 I N 0.306 121.032 120.570 0.261 0.000 2.233 381 I HA -0.117 4.051 4.170 -0.003 0.000 0.243 381 I C 2.949 179.120 176.117 0.091 0.000 1.093 381 I CA 1.591 63.058 61.300 0.278 0.000 1.380 381 I CB -0.202 37.931 38.000 0.223 0.000 1.067 381 I HN 0.194 nan 8.210 nan 0.000 0.413 382 R N -0.379 120.157 120.500 0.060 0.000 2.189 382 R HA -0.137 4.201 4.340 -0.003 0.000 0.223 382 R C 1.895 178.184 176.300 -0.018 0.000 1.092 382 R CA 1.182 57.288 56.100 0.010 0.000 0.989 382 R CB -0.185 30.125 30.300 0.017 0.000 0.876 382 R HN 0.302 nan 8.270 nan 0.000 0.457 383 F N -1.086 118.691 119.950 -0.288 0.000 2.243 383 F HA 0.161 4.686 4.527 -0.004 0.000 0.287 383 F C 1.284 176.744 175.800 -0.567 0.000 1.067 383 F CA 0.824 58.474 58.000 -0.583 0.000 1.304 383 F CB -0.055 38.211 39.000 -1.224 0.000 1.087 383 F HN -0.158 nan 8.300 nan 0.000 0.513 384 F N -0.147 119.602 119.950 -0.335 0.000 2.317 384 F HA 0.154 4.679 4.527 -0.003 0.000 0.293 384 F C 2.350 177.965 175.800 -0.308 0.000 1.085 384 F CA 0.790 58.555 58.000 -0.391 0.000 1.390 384 F CB -0.535 38.395 39.000 -0.116 0.000 1.077 384 F HN 0.081 nan 8.300 nan 0.000 0.517 385 A N -0.126 122.660 122.820 -0.056 0.000 1.881 385 A HA -0.059 4.259 4.320 -0.003 0.000 0.210 385 A C 2.143 179.624 177.584 -0.172 0.000 1.239 385 A CA 1.610 53.516 52.037 -0.218 0.000 0.629 385 A CB -1.204 17.544 19.000 -0.421 0.000 0.906 385 A HN 0.300 nan 8.150 nan 0.000 0.460 386 T N -4.420 110.055 114.554 -0.130 0.000 3.035 386 T HA 0.372 4.720 4.350 -0.003 0.000 0.259 386 T C 1.449 176.088 174.700 -0.100 0.000 1.078 386 T CA 1.302 63.341 62.100 -0.102 0.000 1.132 386 T CB -0.039 68.786 68.868 -0.072 0.000 0.900 386 T HN 1.812 nan 8.240 nan 0.000 0.480 387 G N 1.619 110.341 108.800 -0.131 0.000 2.147 387 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.244 387 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.244 387 G C 0.496 175.356 174.900 -0.067 0.000 1.005 387 G CA 0.456 45.474 45.100 -0.137 0.000 0.713 387 G HN 0.607 nan 8.290 nan 0.000 0.515 388 E N -0.551 119.621 120.200 -0.046 0.000 2.204 388 E HA 0.045 4.393 4.350 -0.003 0.000 0.195 388 E C 1.580 178.181 176.600 0.002 0.000 0.990 388 E CA 1.203 57.592 56.400 -0.018 0.000 0.821 388 E CB 0.008 29.698 29.700 -0.016 0.000 0.750 388 E HN 0.935 nan 8.360 nan 0.000 0.477 389 I N -1.844 118.724 120.570 -0.003 0.000 2.892 389 I HA 0.407 4.575 4.170 -0.003 0.000 0.306 389 I C -0.163 175.983 176.117 0.048 0.000 1.078 389 I CA -1.425 59.864 61.300 -0.018 0.000 1.032 389 I CB 1.591 39.538 38.000 -0.089 0.000 1.229 389 I HN -0.146 nan 8.210 nan 0.000 0.435 390 H N 2.416 121.530 119.070 0.074 0.000 2.530 390 H HA 0.734 5.288 4.556 -0.004 0.000 0.342 390 H C 1.048 176.494 175.328 0.197 0.000 1.312 390 H CA -0.393 55.727 56.048 0.119 0.000 1.376 390 H CB 0.833 30.625 29.762 0.050 0.000 1.692 390 H HN 0.717 nan 8.280 nan 0.000 0.622 391 A N 0.259 123.308 122.820 0.382 0.000 1.908 391 A HA -0.234 4.084 4.320 -0.003 0.000 0.218 391 A C 2.017 179.520 177.584 -0.135 0.000 1.181 391 A CA 1.969 54.103 52.037 0.162 0.000 0.627 391 A CB -0.934 18.253 19.000 0.312 0.000 0.818 391 A HN 0.887 nan 8.150 nan 0.000 0.445 392 E N -1.165 119.047 120.200 0.020 0.000 2.106 392 E HA -0.208 4.140 4.350 -0.003 0.000 0.192 392 E C 2.292 178.747 176.600 -0.242 0.000 0.984 392 E CA 1.219 57.579 56.400 -0.067 0.000 0.806 392 E CB -0.103 29.663 29.700 0.110 0.000 0.750 392 E HN 0.520 nan 8.360 nan 0.000 0.458 393 R N 0.921 121.158 120.500 -0.437 0.000 2.075 393 R HA -0.127 4.211 4.340 -0.003 0.000 0.232 393 R C 1.912 177.991 176.300 -0.368 0.000 1.126 393 R CA 1.232 57.075 56.100 -0.428 0.000 0.963 393 R CB -0.912 29.027 30.300 -0.602 0.000 0.858 393 R HN 0.214 nan 8.270 nan 0.000 0.435 394 F N 1.047 120.610 119.950 -0.645 0.000 2.095 394 F HA -0.266 4.259 4.527 -0.004 0.000 0.298 394 F C 1.985 177.305 175.800 -0.801 0.000 1.104 394 F CA 2.044 59.528 58.000 -0.859 0.000 1.232 394 F CB -0.352 37.661 39.000 -1.645 0.000 0.987 394 F HN 0.197 nan 8.300 nan 0.000 0.475 395 D N 0.652 120.528 120.400 -0.874 0.000 2.123 395 D HA -0.223 4.415 4.640 -0.003 0.000 0.196 395 D C 2.232 178.232 176.300 -0.501 0.000 0.992 395 D CA 1.519 54.996 54.000 -0.872 0.000 0.833 395 D CB -0.432 39.987 40.800 -0.636 0.000 0.954 395 D HN 0.397 nan 8.370 nan 0.000 0.455 396 A N 0.923 123.534 122.820 -0.348 0.000 1.851 396 A HA -0.219 4.099 4.320 -0.003 0.000 0.216 396 A C 2.179 179.640 177.584 -0.204 0.000 1.195 396 A CA 1.984 53.901 52.037 -0.201 0.000 0.622 396 A CB -0.834 18.083 19.000 -0.139 0.000 0.831 396 A HN 0.369 nan 8.150 nan 0.000 0.444 397 E N -0.750 119.301 120.200 -0.248 0.000 2.097 397 E HA -0.234 4.114 4.350 -0.003 0.000 0.196 397 E C 1.934 178.387 176.600 -0.245 0.000 1.000 397 E CA 1.291 57.567 56.400 -0.205 0.000 0.804 397 E CB -0.330 29.250 29.700 -0.200 0.000 0.740 397 E HN 0.423 nan 8.360 nan 0.000 0.454 398 L N 0.778 121.751 121.223 -0.417 0.000 1.989 398 L HA -0.188 4.150 4.340 -0.003 0.000 0.211 398 L C 2.436 179.200 176.870 -0.176 0.000 1.071 398 L CA 1.925 56.534 54.840 -0.385 0.000 0.749 398 L CB -0.754 40.878 42.059 -0.711 0.000 0.890 398 L HN 0.098 nan 8.230 nan 0.000 0.431 399 T N -1.326 113.117 114.554 -0.185 0.000 2.746 399 T HA -0.240 4.108 4.350 -0.003 0.000 0.267 399 T C 2.010 176.595 174.700 -0.193 0.000 1.039 399 T CA 1.574 63.589 62.100 -0.141 0.000 1.142 399 T CB -0.222 68.589 68.868 -0.095 0.000 0.866 399 T HN 0.240 nan 8.240 nan 0.000 0.444 400 R N 1.114 121.538 120.500 -0.127 0.000 2.073 400 R HA -0.033 4.305 4.340 -0.003 0.000 0.234 400 R C 2.583 178.788 176.300 -0.158 0.000 1.134 400 R CA 1.539 57.584 56.100 -0.091 0.000 0.952 400 R CB -0.568 29.735 30.300 0.005 0.000 0.850 400 R HN 0.349 nan 8.270 nan 0.000 0.433 401 A N 0.992 123.722 122.820 -0.151 0.000 1.877 401 A HA -0.216 4.102 4.320 -0.003 0.000 0.216 401 A C 2.210 179.643 177.584 -0.252 0.000 1.186 401 A CA 1.668 53.590 52.037 -0.192 0.000 0.620 401 A CB -0.692 18.230 19.000 -0.129 0.000 0.822 401 A HN 0.471 nan 8.150 nan 0.000 0.443 402 R N -1.137 119.250 120.500 -0.188 0.000 2.117 402 R HA -0.122 4.216 4.340 -0.003 0.000 0.243 402 R C 1.400 177.526 176.300 -0.289 0.000 1.143 402 R CA 1.853 57.832 56.100 -0.201 0.000 0.968 402 R CB -0.223 29.990 30.300 -0.146 0.000 0.863 402 R HN 0.396 nan 8.270 nan 0.000 0.444 403 M N 0.459 119.830 119.600 -0.383 0.000 2.563 403 M HA -0.006 4.472 4.480 -0.003 0.000 0.231 403 M C 1.288 177.399 176.300 -0.315 0.000 1.136 403 M CA 0.307 55.339 55.300 -0.448 0.000 1.026 403 M CB -0.054 32.018 32.600 -0.880 0.000 1.597 403 M HN 0.169 nan 8.290 nan 0.000 0.495 404 L N -0.850 120.141 121.223 -0.387 0.000 2.027 404 L HA -0.056 4.282 4.340 -0.003 0.000 0.206 404 L C 0.473 177.106 176.870 -0.396 0.000 1.074 404 L CA 1.591 56.120 54.840 -0.517 0.000 0.745 404 L CB -0.318 41.099 42.059 -1.069 0.000 0.898 404 L HN 0.185 nan 8.230 nan 0.000 0.433 405 Y N -2.690 117.588 120.300 -0.037 0.000 2.662 405 Y HA 0.479 5.027 4.550 -0.003 0.000 0.335 405 Y C -2.094 173.736 175.900 -0.117 0.000 1.066 405 Y CA -3.074 55.004 58.100 -0.038 0.000 1.116 405 Y CB -0.013 38.423 38.460 -0.039 0.000 1.308 405 Y HN -0.273 nan 8.280 nan 0.000 0.502 406 P HA -0.001 nan 4.420 nan 0.000 0.270 406 P C 0.327 177.391 177.300 -0.394 0.000 1.223 406 P CA 0.009 62.824 63.100 -0.475 0.000 0.785 406 P CB 0.591 31.683 31.700 -1.013 0.000 0.923 407 E N 1.118 121.133 120.200 -0.309 0.000 2.160 407 E HA -0.301 4.047 4.350 -0.003 0.000 0.195 407 E C 1.104 177.485 176.600 -0.364 0.000 0.991 407 E CA 1.355 57.620 56.400 -0.226 0.000 0.810 407 E CB -0.570 29.085 29.700 -0.076 0.000 0.742 407 E HN 0.401 nan 8.360 nan 0.000 0.466 408 Q N 0.845 120.286 119.800 -0.599 0.000 2.226 408 Q HA -0.057 4.281 4.340 -0.003 0.000 0.204 408 Q C 2.066 177.629 176.000 -0.728 0.000 0.975 408 Q CA 1.967 57.335 55.803 -0.726 0.000 0.866 408 Q CB -0.161 27.896 28.738 -1.133 0.000 0.915 408 Q HN 0.496 nan 8.270 nan 0.000 0.440 409 A N 0.159 122.543 122.820 -0.726 0.000 1.911 409 A HA 0.209 4.527 4.320 -0.003 0.000 0.212 409 A C 2.216 179.693 177.584 -0.179 0.000 1.189 409 A CA 0.918 52.726 52.037 -0.381 0.000 0.639 409 A CB -0.746 18.119 19.000 -0.225 0.000 0.839 409 A HN 0.333 nan 8.150 nan 0.000 0.449 410 A N -0.452 122.273 122.820 -0.157 0.000 1.908 410 A HA -0.255 4.063 4.320 -0.003 0.000 0.218 410 A C 2.177 179.663 177.584 -0.163 0.000 1.181 410 A CA 1.925 53.893 52.037 -0.115 0.000 0.627 410 A CB -0.558 18.354 19.000 -0.147 0.000 0.818 410 A HN 0.534 nan 8.150 nan 0.000 0.445 411 Q N 0.048 119.727 119.800 -0.201 0.000 2.226 411 Q HA -0.103 4.235 4.340 -0.003 0.000 0.204 411 Q C 1.466 177.369 176.000 -0.161 0.000 0.975 411 Q CA 1.767 57.451 55.803 -0.198 0.000 0.866 411 Q CB -0.424 28.194 28.738 -0.199 0.000 0.915 411 Q HN 0.527 nan 8.270 nan 0.000 0.440 412 G N 0.472 109.193 108.800 -0.132 0.000 3.575 412 G HA2 0.290 4.248 3.960 -0.003 0.000 0.273 412 G HA3 0.290 4.248 3.960 -0.003 0.000 0.273 412 G C 0.105 175.030 174.900 0.043 0.000 1.053 412 G CA -0.458 44.607 45.100 -0.058 0.000 0.803 412 G HN 0.150 nan 8.290 nan 0.000 0.528 413 L N 0.741 121.963 121.223 -0.002 0.000 2.426 413 L HA 0.246 4.584 4.340 -0.003 0.000 0.271 413 L C -0.010 176.957 176.870 0.161 0.000 1.169 413 L CA -0.862 53.999 54.840 0.034 0.000 0.836 413 L CB 0.626 42.691 42.059 0.011 0.000 1.112 413 L HN 0.112 nan 8.230 nan 0.000 0.465 414 W N 3.019 124.230 121.300 -0.147 0.000 2.388 414 W HA 0.164 4.822 4.660 -0.004 0.000 0.308 414 W C 0.151 176.560 176.519 -0.183 0.000 1.263 414 W CA -0.880 56.372 57.345 -0.156 0.000 1.286 414 W CB -0.313 29.068 29.460 -0.132 0.000 1.294 414 W HN 0.369 nan 8.180 nan 0.000 0.493 415 N N 5.449 124.039 118.700 -0.183 0.000 2.602 415 N HA 0.171 4.909 4.740 -0.003 0.000 0.238 415 N C -0.268 175.104 175.510 -0.230 0.000 1.084 415 N CA -0.253 52.447 53.050 -0.584 0.000 0.952 415 N CB 0.364 38.002 38.487 -1.415 0.000 1.244 415 N HN 0.381 nan 8.380 nan 0.000 0.512 416 L N -1.246 120.048 121.223 0.118 0.000 2.399 416 L HA 0.538 4.876 4.340 -0.003 0.000 0.265 416 L C 0.544 177.599 176.870 0.309 0.000 1.089 416 L CA -0.737 54.229 54.840 0.209 0.000 0.802 416 L CB 1.078 43.285 42.059 0.247 0.000 1.180 416 L HN 0.185 nan 8.230 nan 0.000 0.454 417 L N -0.042 121.276 121.223 0.158 0.000 2.537 417 L HA 0.301 4.639 4.340 -0.003 0.000 0.224 417 L C -0.408 176.535 176.870 0.122 0.000 1.065 417 L CA 0.203 55.041 54.840 -0.002 0.000 0.860 417 L CB 0.112 41.980 42.059 -0.320 0.000 1.086 417 L HN 0.937 nan 8.230 nan 0.000 0.482 418 D N -2.149 118.327 120.400 0.127 0.000 2.779 418 D HA 0.515 5.153 4.640 -0.003 0.000 0.331 418 D C -0.648 175.588 176.300 -0.107 0.000 1.331 418 D CA -0.300 53.737 54.000 0.062 0.000 0.866 418 D CB 1.106 41.972 40.800 0.109 0.000 1.409 418 D HN -0.060 nan 8.370 nan 0.000 0.486 419 S N -2.294 113.182 115.700 -0.373 0.000 2.703 419 S HA 0.310 4.778 4.470 -0.003 0.000 0.273 419 S C 0.347 174.460 174.600 -0.813 0.000 1.178 419 S CA -0.501 57.344 58.200 -0.590 0.000 0.838 419 S CB 0.423 63.614 63.200 -0.016 0.000 1.178 419 S HN 0.910 nan 8.310 nan 0.000 0.494 420 H N 0.136 118.857 119.070 -0.580 0.000 2.567 420 H HA 0.207 4.761 4.556 -0.003 0.000 0.276 420 H C -0.250 174.955 175.328 -0.206 0.000 1.016 420 H CA 1.094 56.971 56.048 -0.287 0.000 1.186 420 H CB -0.510 29.116 29.762 -0.227 0.000 1.351 420 H HN 0.568 nan 8.280 nan 0.000 0.605 421 D N 0.509 120.617 120.400 -0.487 0.000 2.395 421 D HA 0.086 4.724 4.640 -0.003 0.000 0.213 421 D C 0.360 176.514 176.300 -0.243 0.000 1.110 421 D CA 0.271 54.022 54.000 -0.414 0.000 0.835 421 D CB 1.044 41.581 40.800 -0.438 0.000 0.965 421 D HN 0.388 nan 8.370 nan 0.000 0.505 422 T N -0.312 114.121 114.554 -0.202 0.000 2.841 422 T HA 0.302 4.650 4.350 -0.003 0.000 0.296 422 T C -1.061 173.589 174.700 -0.084 0.000 1.166 422 T CA -0.797 61.227 62.100 -0.127 0.000 1.007 422 T CB 1.915 70.727 68.868 -0.092 0.000 1.253 422 T HN 0.006 nan 8.240 nan 0.000 0.511 423 E N 1.697 121.873 120.200 -0.041 0.000 2.408 423 E HA 0.277 4.625 4.350 -0.003 0.000 0.259 423 E C -0.275 176.353 176.600 0.046 0.000 1.110 423 E CA -0.626 55.769 56.400 -0.008 0.000 0.929 423 E CB 0.633 30.325 29.700 -0.013 0.000 0.971 423 E HN 0.448 nan 8.360 nan 0.000 0.438 424 R N 0.821 121.366 120.500 0.076 0.000 2.543 424 R HA 0.049 4.387 4.340 -0.003 0.000 0.277 424 R C 0.613 177.052 176.300 0.231 0.000 1.074 424 R CA -0.297 55.904 56.100 0.168 0.000 1.076 424 R CB 0.237 30.613 30.300 0.127 0.000 0.993 424 R HN 0.606 nan 8.270 nan 0.000 0.459 425 F N 2.269 122.354 119.950 0.225 0.000 2.154 425 F HA -0.246 4.279 4.527 -0.003 0.000 0.301 425 F C 1.864 177.856 175.800 0.319 0.000 1.087 425 F CA 1.467 59.646 58.000 0.297 0.000 1.274 425 F CB -0.089 39.147 39.000 0.393 0.000 1.009 425 F HN 0.492 nan 8.300 nan 0.000 0.485 426 L N -0.271 121.136 121.223 0.307 0.000 2.083 426 L HA -0.190 4.148 4.340 -0.003 0.000 0.209 426 L C 2.200 179.013 176.870 -0.095 0.000 1.083 426 L CA 2.320 57.102 54.840 -0.098 0.000 0.752 426 L CB -1.308 40.503 42.059 -0.414 0.000 0.899 426 L HN 0.107 nan 8.230 nan 0.000 0.433 427 T N -1.173 113.348 114.554 -0.056 0.000 2.777 427 T HA -0.116 4.232 4.350 -0.003 0.000 0.266 427 T C 1.947 176.581 174.700 -0.110 0.000 1.040 427 T CA 1.502 63.560 62.100 -0.070 0.000 1.141 427 T CB -0.247 68.597 68.868 -0.040 0.000 0.868 427 T HN 0.394 nan 8.240 nan 0.000 0.444 428 S N 0.520 116.128 115.700 -0.154 0.000 2.400 428 S HA -0.107 4.361 4.470 -0.003 0.000 0.232 428 S C 1.985 176.400 174.600 -0.309 0.000 1.025 428 S CA 0.771 58.820 58.200 -0.252 0.000 0.993 428 S CB -0.423 62.544 63.200 -0.389 0.000 0.808 428 S HN 0.563 nan 8.310 nan 0.000 0.478 429 C N 1.107 120.217 119.300 -0.317 0.000 2.673 429 C HA 0.448 4.906 4.460 -0.003 0.000 0.274 429 C C 1.836 176.747 174.990 -0.131 0.000 1.276 429 C CA -0.322 58.557 59.018 -0.232 0.000 1.701 429 C CB -1.405 26.238 27.740 -0.162 0.000 1.836 429 C HN 0.724 nan 8.230 nan 0.000 0.596 430 G N 0.576 109.305 108.800 -0.118 0.000 2.221 430 G HA2 0.042 4.000 3.960 -0.003 0.000 0.265 430 G HA3 0.042 4.000 3.960 -0.003 0.000 0.265 430 G C 0.945 175.804 174.900 -0.069 0.000 1.041 430 G CA 0.537 45.588 45.100 -0.081 0.000 0.807 430 G HN 1.480 nan 8.290 nan 0.000 0.502 431 G N -1.045 107.705 108.800 -0.084 0.000 2.179 431 G HA2 -0.334 3.624 3.960 -0.003 0.000 0.260 431 G HA3 -0.334 3.624 3.960 -0.003 0.000 0.260 431 G C 0.323 175.186 174.900 -0.062 0.000 0.977 431 G CA 0.727 45.777 45.100 -0.082 0.000 0.641 431 G HN 1.406 nan 8.290 nan 0.000 0.533 432 N N 1.070 119.744 118.700 -0.043 0.000 2.421 432 N HA 0.186 4.924 4.740 -0.003 0.000 0.260 432 N C 1.212 176.735 175.510 0.021 0.000 1.173 432 N CA 0.549 53.597 53.050 -0.003 0.000 0.960 432 N CB 0.622 39.112 38.487 0.005 0.000 1.273 432 N HN 0.631 nan 8.380 nan 0.000 0.497 433 E N 3.193 123.405 120.200 0.020 0.000 2.153 433 E HA -0.151 4.197 4.350 -0.003 0.000 0.194 433 E C 1.462 178.129 176.600 0.111 0.000 0.988 433 E CA 0.978 57.412 56.400 0.058 0.000 0.811 433 E CB 0.141 29.850 29.700 0.015 0.000 0.746 433 E HN 0.697 nan 8.360 nan 0.000 0.466 434 A N 0.938 123.817 122.820 0.099 0.000 1.978 434 A HA -0.210 4.108 4.320 -0.003 0.000 0.220 434 A C 1.962 179.552 177.584 0.009 0.000 1.170 434 A CA 1.577 53.697 52.037 0.138 0.000 0.636 434 A CB -0.234 18.980 19.000 0.357 0.000 0.810 434 A HN 0.135 nan 8.150 nan 0.000 0.448 435 K N -1.921 118.428 120.400 -0.085 0.000 2.044 435 K HA 0.058 4.376 4.320 -0.003 0.000 0.204 435 K C 1.722 178.327 176.600 0.009 0.000 1.049 435 K CA 1.072 57.227 56.287 -0.219 0.000 0.945 435 K CB -0.285 32.078 32.500 -0.229 0.000 0.724 435 K HN 0.406 nan 8.250 nan 0.000 0.440 436 F N 2.439 122.379 119.950 -0.017 0.000 2.091 436 F HA -0.230 4.295 4.527 -0.004 0.000 0.299 436 F C 2.183 178.027 175.800 0.074 0.000 1.103 436 F CA 1.591 59.667 58.000 0.127 0.000 1.228 436 F CB 0.028 39.122 39.000 0.157 0.000 0.984 436 F HN -0.092 nan 8.300 nan 0.000 0.477 437 R N -0.073 120.557 120.500 0.216 0.000 2.083 437 R HA -0.189 4.149 4.340 -0.003 0.000 0.237 437 R C 2.387 178.730 176.300 0.072 0.000 1.137 437 R CA 1.753 57.931 56.100 0.130 0.000 0.951 437 R CB -0.860 29.349 30.300 -0.150 0.000 0.851 437 R HN 0.368 nan 8.270 nan 0.000 0.434 438 L N 0.152 121.338 121.223 -0.061 0.000 2.079 438 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 438 L C 2.530 179.092 176.870 -0.513 0.000 1.081 438 L CA 1.298 56.050 54.840 -0.145 0.000 0.752 438 L CB -0.453 41.544 42.059 -0.104 0.000 0.896 438 L HN 0.293 nan 8.230 nan 0.000 0.433 439 A N -0.942 121.387 122.820 -0.818 0.000 1.898 439 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 439 A C 2.214 179.552 177.584 -0.410 0.000 1.181 439 A CA 1.448 52.890 52.037 -0.991 0.000 0.620 439 A CB -0.633 17.994 19.000 -0.621 0.000 0.819 439 A HN 0.232 nan 8.150 nan 0.000 0.442 440 V N -0.126 119.569 119.914 -0.364 0.000 2.427 440 V HA -0.211 3.907 4.120 -0.003 0.000 0.248 440 V C 2.456 178.428 176.094 -0.204 0.000 1.051 440 V CA 1.729 63.822 62.300 -0.346 0.000 1.048 440 V CB -0.613 30.939 31.823 -0.452 0.000 0.666 440 V HN 0.637 nan 8.190 nan 0.000 0.456 441 L N -0.967 120.225 121.223 -0.052 0.000 2.046 441 L HA -0.218 4.120 4.340 -0.003 0.000 0.208 441 L C 2.286 179.228 176.870 0.121 0.000 1.077 441 L CA 2.076 56.929 54.840 0.021 0.000 0.747 441 L CB -0.321 41.847 42.059 0.181 0.000 0.896 441 L HN 0.390 nan 8.230 nan 0.000 0.432 442 F N 0.423 120.405 119.950 0.052 0.000 2.051 442 F HA -0.320 4.205 4.527 -0.003 0.000 0.296 442 F C 2.722 178.671 175.800 0.249 0.000 1.122 442 F CA 2.095 60.249 58.000 0.256 0.000 1.201 442 F CB -0.416 38.761 39.000 0.295 0.000 0.978 442 F HN 0.173 nan 8.300 nan 0.000 0.472 443 Q N -0.151 119.759 119.800 0.182 0.000 2.156 443 Q HA -0.283 4.055 4.340 -0.003 0.000 0.211 443 Q C 1.885 177.825 176.000 -0.100 0.000 0.995 443 Q CA 2.367 58.228 55.803 0.097 0.000 0.877 443 Q CB -0.209 28.565 28.738 0.060 0.000 0.920 443 Q HN 0.390 nan 8.270 nan 0.000 0.416 444 M N -0.091 119.435 119.600 -0.124 0.000 2.619 444 M HA -0.006 4.472 4.480 -0.003 0.000 0.251 444 M C 1.322 177.554 176.300 -0.115 0.000 1.106 444 M CA 1.301 56.501 55.300 -0.166 0.000 1.086 444 M CB -0.183 32.275 32.600 -0.237 0.000 1.465 444 M HN 0.375 nan 8.290 nan 0.000 0.506 445 T N -4.458 110.080 114.554 -0.026 0.000 3.043 445 T HA 0.144 4.492 4.350 -0.003 0.000 0.272 445 T C 0.132 174.957 174.700 0.208 0.000 0.990 445 T CA -0.367 61.780 62.100 0.077 0.000 0.897 445 T CB -0.030 68.935 68.868 0.161 0.000 1.111 445 T HN 0.104 nan 8.240 nan 0.000 0.529 446 Y N 1.773 121.951 120.300 -0.202 0.000 2.392 446 Y HA 0.627 5.175 4.550 -0.003 0.000 0.323 446 Y C -0.024 175.748 175.900 -0.214 0.000 1.291 446 Y CA -2.557 55.351 58.100 -0.320 0.000 1.345 446 Y CB 0.786 38.710 38.460 -0.894 0.000 1.320 446 Y HN 0.130 nan 8.280 nan 0.000 0.518 447 L N 3.340 123.986 121.223 -0.961 0.000 2.410 447 L HA 0.506 4.844 4.340 -0.003 0.000 0.273 447 L C 0.140 176.710 176.870 -0.501 0.000 1.144 447 L CA 1.400 55.827 54.840 -0.688 0.000 0.863 447 L CB -0.479 41.111 42.059 -0.781 0.000 1.140 447 L HN 0.854 nan 8.230 nan 0.000 0.463 448 G N 2.660 111.273 108.800 -0.311 0.000 2.334 448 G HA2 0.037 3.995 3.960 -0.003 0.000 0.315 448 G HA3 0.037 3.995 3.960 -0.003 0.000 0.315 448 G C -0.953 173.823 174.900 -0.206 0.000 1.284 448 G CA -0.464 44.497 45.100 -0.231 0.000 0.985 448 G HN 0.613 nan 8.290 nan 0.000 0.504 449 T N 2.892 117.347 114.554 -0.165 0.000 2.756 449 T HA 0.624 4.972 4.350 -0.003 0.000 0.290 449 T C -2.668 171.855 174.700 -0.295 0.000 0.985 449 T CA -0.781 61.187 62.100 -0.221 0.000 0.955 449 T CB 1.900 70.621 68.868 -0.245 0.000 0.930 449 T HN 0.357 nan 8.240 nan 0.000 0.451 450 P HA 0.251 nan 4.420 nan 0.000 0.271 450 P C -0.825 176.337 177.300 -0.230 0.000 1.226 450 P CA -0.386 62.572 63.100 -0.236 0.000 0.765 450 P CB 0.494 32.081 31.700 -0.187 0.000 0.835 451 L N 5.282 126.401 121.223 -0.173 0.000 2.325 451 L HA 0.523 4.861 4.340 -0.003 0.000 0.281 451 L C -0.849 176.023 176.870 0.003 0.000 1.004 451 L CA -0.800 53.955 54.840 -0.141 0.000 0.823 451 L CB 0.685 42.668 42.059 -0.128 0.000 1.236 451 L HN 0.247 nan 8.230 nan 0.000 0.415 452 I N 4.651 125.236 120.570 0.026 0.000 2.336 452 I HA 0.182 4.350 4.170 -0.003 0.000 0.292 452 I C -0.855 175.218 176.117 -0.074 0.000 0.991 452 I CA -0.692 60.655 61.300 0.078 0.000 1.227 452 I CB 1.178 39.308 38.000 0.215 0.000 1.366 452 I HN 0.499 nan 8.210 nan 0.000 0.466 453 Y N 8.126 128.371 120.300 -0.091 0.000 2.359 453 Y HA 0.150 4.698 4.550 -0.003 0.000 0.334 453 Y C 0.087 175.847 175.900 -0.235 0.000 1.058 453 Y CA -1.300 56.730 58.100 -0.116 0.000 1.244 453 Y CB 0.245 38.706 38.460 0.000 0.000 1.187 453 Y HN 0.468 nan 8.280 nan 0.000 0.510 454 Y N 4.995 124.841 120.300 -0.757 0.000 2.916 454 Y HA 0.239 4.787 4.550 -0.003 0.000 0.344 454 Y C 1.058 176.796 175.900 -0.270 0.000 1.282 454 Y CA 0.388 58.201 58.100 -0.479 0.000 1.604 454 Y CB -0.180 38.142 38.460 -0.228 0.000 1.207 454 Y HN 0.955 nan 8.280 nan 0.000 0.561 455 G N 3.121 111.850 108.800 -0.119 0.000 2.284 455 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.230 455 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.230 455 G C 0.858 175.663 174.900 -0.159 0.000 1.021 455 G CA 0.268 45.229 45.100 -0.231 0.000 0.619 455 G HN 0.634 nan 8.290 nan 0.000 0.510 456 D N 1.487 121.832 120.400 -0.092 0.000 2.221 456 D HA -0.097 4.541 4.640 -0.003 0.000 0.204 456 D C 2.435 178.780 176.300 0.076 0.000 0.982 456 D CA 1.456 55.527 54.000 0.118 0.000 0.857 456 D CB -0.117 40.897 40.800 0.357 0.000 0.934 456 D HN 0.796 nan 8.370 nan 0.000 0.475 457 E N 1.360 121.456 120.200 -0.173 0.000 2.338 457 E HA -0.166 4.182 4.350 -0.003 0.000 0.197 457 E C 1.625 178.128 176.600 -0.160 0.000 1.007 457 E CA 0.677 56.692 56.400 -0.642 0.000 0.849 457 E CB -0.296 29.162 29.700 -0.405 0.000 0.774 457 E HN 0.403 nan 8.360 nan 0.000 0.506 458 I N -3.203 117.312 120.570 -0.091 0.000 3.877 458 I HA 0.571 4.739 4.170 -0.003 0.000 0.332 458 I C 1.004 177.081 176.117 -0.066 0.000 1.525 458 I CA -0.192 61.062 61.300 -0.077 0.000 1.146 458 I CB 0.778 38.653 38.000 -0.209 0.000 1.137 458 I HN 0.037 nan 8.210 nan 0.000 0.424 459 G N 1.012 109.779 108.800 -0.054 0.000 2.149 459 G HA2 -0.250 3.708 3.960 -0.003 0.000 0.235 459 G HA3 -0.250 3.708 3.960 -0.003 0.000 0.235 459 G C 0.186 174.987 174.900 -0.165 0.000 1.018 459 G CA 0.057 45.079 45.100 -0.129 0.000 0.728 459 G HN 0.397 nan 8.290 nan 0.000 0.508 460 M N 0.502 120.009 119.600 -0.155 0.000 2.239 460 M HA 0.463 4.941 4.480 -0.003 0.000 0.348 460 M C 0.823 177.038 176.300 -0.143 0.000 1.239 460 M CA 0.968 56.169 55.300 -0.165 0.000 1.114 460 M CB 0.968 33.437 32.600 -0.219 0.000 1.641 460 M HN 0.555 nan 8.290 nan 0.000 0.453 461 A N 2.395 125.140 122.820 -0.125 0.000 2.347 461 A HA 1.041 5.359 4.320 -0.003 0.000 0.301 461 A C -0.123 177.420 177.584 -0.068 0.000 1.163 461 A CA -0.152 51.827 52.037 -0.097 0.000 0.860 461 A CB 1.669 20.606 19.000 -0.104 0.000 1.367 461 A HN 0.933 nan 8.150 nan 0.000 0.461 462 G N -2.433 106.340 108.800 -0.046 0.000 2.352 462 G HA2 0.613 4.571 3.960 -0.003 0.000 0.303 462 G HA3 0.613 4.571 3.960 -0.003 0.000 0.303 462 G C -0.433 174.455 174.900 -0.021 0.000 1.593 462 G CA 0.121 45.202 45.100 -0.033 0.000 0.963 462 G HN 1.827 nan 8.290 nan 0.000 0.685 463 A N 0.232 123.038 122.820 -0.024 0.000 2.250 463 A HA 0.891 5.209 4.320 -0.003 0.000 0.283 463 A C 1.275 178.843 177.584 -0.027 0.000 1.206 463 A CA 0.871 52.893 52.037 -0.025 0.000 0.840 463 A CB 0.395 19.380 19.000 -0.025 0.000 1.220 463 A HN 2.133 nan 8.150 nan 0.000 0.505 464 T N -0.838 113.695 114.554 -0.036 0.000 2.680 464 T HA 0.140 4.488 4.350 -0.003 0.000 0.314 464 T C 0.299 174.960 174.700 -0.066 0.000 1.045 464 T CA 0.203 62.271 62.100 -0.053 0.000 1.025 464 T CB -0.088 68.744 68.868 -0.060 0.000 1.000 464 T HN 0.693 nan 8.240 nan 0.000 0.535 465 D N 1.624 121.964 120.400 -0.099 0.000 2.752 465 D HA -0.019 4.619 4.640 -0.003 0.000 0.225 465 D C -1.440 174.755 176.300 -0.174 0.000 1.104 465 D CA -0.940 52.975 54.000 -0.141 0.000 0.832 465 D CB 0.837 41.536 40.800 -0.169 0.000 1.161 465 D HN 0.389 nan 8.370 nan 0.000 0.505 466 P HA 0.142 nan 4.420 nan 0.000 0.272 466 P C 0.149 177.423 177.300 -0.044 0.000 1.408 466 P CA -0.128 62.891 63.100 -0.134 0.000 0.996 466 P CB 0.527 32.133 31.700 -0.156 0.000 1.481 467 D N -0.007 120.368 120.400 -0.040 0.000 2.371 467 D HA -0.083 4.555 4.640 -0.003 0.000 0.221 467 D C 1.563 177.856 176.300 -0.012 0.000 0.986 467 D CA 0.669 54.656 54.000 -0.021 0.000 0.899 467 D CB -0.290 40.496 40.800 -0.022 0.000 0.902 467 D HN 0.227 nan 8.370 nan 0.000 0.530 468 C N -0.979 118.326 119.300 0.007 0.000 2.594 468 C HA 0.303 4.761 4.460 -0.003 0.000 0.265 468 C C 1.300 176.376 174.990 0.143 0.000 1.351 468 C CA -0.612 58.451 59.018 0.075 0.000 1.744 468 C CB -0.792 26.989 27.740 0.068 0.000 1.890 468 C HN 0.037 nan 8.230 nan 0.000 0.551 469 R N 1.318 121.875 120.500 0.095 0.000 3.039 469 R HA 0.285 4.623 4.340 -0.003 0.000 0.336 469 R C -0.144 176.214 176.300 0.097 0.000 1.258 469 R CA -0.179 56.027 56.100 0.177 0.000 1.125 469 R CB -0.079 30.273 30.300 0.087 0.000 1.427 469 R HN 0.558 nan 8.270 nan 0.000 0.588 470 R N 1.502 121.991 120.500 -0.018 0.000 2.539 470 R HA 0.189 4.527 4.340 -0.003 0.000 0.275 470 R C -2.348 173.798 176.300 -0.256 0.000 1.077 470 R CA -1.976 54.006 56.100 -0.197 0.000 1.097 470 R CB 0.090 30.282 30.300 -0.180 0.000 1.018 470 R HN -0.087 nan 8.270 nan 0.000 0.483 471 P HA -0.134 nan 4.420 nan 0.000 0.261 471 P C -0.211 176.917 177.300 -0.286 0.000 1.173 471 P CA 0.239 62.806 63.100 -0.889 0.000 0.760 471 P CB 0.367 31.093 31.700 -1.623 0.000 0.783 472 M N 4.943 124.574 119.600 0.052 0.000 2.260 472 M HA 0.060 4.538 4.480 -0.003 0.000 0.348 472 M C -0.583 175.578 176.300 -0.232 0.000 1.342 472 M CA 0.590 55.830 55.300 -0.100 0.000 1.040 472 M CB -0.518 31.893 32.600 -0.315 0.000 1.810 472 M HN 0.199 nan 8.290 nan 0.000 0.453 473 I N 6.516 126.839 120.570 -0.411 0.000 2.363 473 I HA 0.016 4.184 4.170 -0.003 0.000 0.292 473 I C -0.291 175.547 176.117 -0.464 0.000 1.075 473 I CA 0.383 61.514 61.300 -0.282 0.000 1.333 473 I CB 0.291 38.163 38.000 -0.214 0.000 1.415 473 I HN 0.888 nan 8.210 nan 0.000 0.502 474 W N 3.048 124.297 121.300 -0.086 0.000 3.103 474 W HA 0.162 4.820 4.660 -0.003 0.000 0.325 474 W C 0.826 177.258 176.519 -0.144 0.000 1.170 474 W CA -0.432 56.794 57.345 -0.199 0.000 1.712 474 W CB 0.613 29.915 29.460 -0.265 0.000 1.068 474 W HN 0.325 nan 8.180 nan 0.000 0.592 475 E N 1.929 122.191 120.200 0.102 0.000 2.159 475 E HA -0.069 4.279 4.350 -0.003 0.000 0.272 475 E C 1.017 177.637 176.600 0.033 0.000 1.138 475 E CA 0.357 56.793 56.400 0.060 0.000 0.915 475 E CB 0.894 30.622 29.700 0.046 0.000 1.028 475 E HN 0.377 nan 8.360 nan 0.000 0.423 476 E N 3.646 123.873 120.200 0.044 0.000 2.169 476 E HA -0.298 4.050 4.350 -0.003 0.000 0.202 476 E C 1.708 178.326 176.600 0.030 0.000 1.016 476 E CA 1.661 58.085 56.400 0.041 0.000 0.817 476 E CB 0.201 29.935 29.700 0.057 0.000 0.736 476 E HN 0.326 nan 8.360 nan 0.000 0.462 477 K N 0.150 120.566 120.400 0.028 0.000 2.097 477 K HA -0.156 4.162 4.320 -0.003 0.000 0.206 477 K C 1.484 178.091 176.600 0.012 0.000 1.049 477 K CA 1.408 57.708 56.287 0.023 0.000 0.933 477 K CB 0.172 32.685 32.500 0.022 0.000 0.717 477 K HN 0.033 nan 8.250 nan 0.000 0.442 478 E N 0.858 121.060 120.200 0.004 0.000 2.489 478 E HA -0.008 4.340 4.350 -0.003 0.000 0.193 478 E C -0.025 176.555 176.600 -0.034 0.000 1.057 478 E CA 0.386 56.779 56.400 -0.012 0.000 0.866 478 E CB 0.313 30.007 29.700 -0.010 0.000 0.916 478 E HN 0.475 nan 8.360 nan 0.000 0.500 479 Q N 0.871 120.651 119.800 -0.035 0.000 2.259 479 Q HA 0.181 4.519 4.340 -0.003 0.000 0.246 479 Q C 0.132 176.125 176.000 -0.011 0.000 0.920 479 Q CA -0.425 55.343 55.803 -0.058 0.000 0.895 479 Q CB 0.683 29.367 28.738 -0.089 0.000 1.220 479 Q HN -0.141 nan 8.270 nan 0.000 0.439 480 N N 1.837 120.533 118.700 -0.006 0.000 3.188 480 N HA 0.013 4.751 4.740 -0.003 0.000 0.279 480 N C 0.351 175.937 175.510 0.127 0.000 1.213 480 N CA -0.004 53.074 53.050 0.047 0.000 1.138 480 N CB 0.209 38.717 38.487 0.035 0.000 1.417 480 N HN 0.418 nan 8.380 nan 0.000 0.526 481 R N 0.698 121.283 120.500 0.140 0.000 2.159 481 R HA -0.075 4.263 4.340 -0.003 0.000 0.237 481 R C 1.712 178.176 176.300 0.274 0.000 1.131 481 R CA 1.056 57.308 56.100 0.254 0.000 0.982 481 R CB -0.967 29.459 30.300 0.209 0.000 0.868 481 R HN 0.489 nan 8.270 nan 0.000 0.453 482 G N 1.287 110.201 108.800 0.189 0.000 2.421 482 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.216 482 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.216 482 G C 1.488 176.533 174.900 0.242 0.000 1.171 482 G CA 0.439 45.642 45.100 0.172 0.000 0.775 482 G HN 0.270 nan 8.290 nan 0.000 0.543 483 L N -0.500 120.883 121.223 0.266 0.000 2.056 483 L HA 0.192 4.530 4.340 -0.003 0.000 0.207 483 L C 2.494 179.698 176.870 0.558 0.000 1.078 483 L CA 1.358 56.438 54.840 0.400 0.000 0.749 483 L CB -0.411 41.857 42.059 0.348 0.000 0.901 483 L HN 0.304 nan 8.230 nan 0.000 0.433 484 F N 0.065 120.151 119.950 0.227 0.000 2.065 484 F HA -0.285 4.239 4.527 -0.003 0.000 0.298 484 F C 2.422 178.359 175.800 0.228 0.000 1.112 484 F CA 1.605 59.704 58.000 0.165 0.000 1.212 484 F CB 0.028 39.100 39.000 0.121 0.000 0.975 484 F HN 0.103 nan 8.300 nan 0.000 0.476 485 E N 0.205 120.525 120.200 0.200 0.000 2.160 485 E HA -0.259 4.089 4.350 -0.003 0.000 0.195 485 E C 1.963 178.648 176.600 0.141 0.000 0.991 485 E CA 1.207 57.627 56.400 0.033 0.000 0.810 485 E CB -0.700 29.064 29.700 0.107 0.000 0.742 485 E HN 0.590 nan 8.360 nan 0.000 0.466 486 F N 0.002 120.032 119.950 0.134 0.000 2.102 486 F HA -0.296 4.229 4.527 -0.003 0.000 0.298 486 F C 2.068 177.942 175.800 0.123 0.000 1.105 486 F CA 1.174 59.255 58.000 0.134 0.000 1.239 486 F CB -0.122 38.994 39.000 0.194 0.000 0.991 486 F HN -0.006 nan 8.300 nan 0.000 0.474 487 Y N 1.053 121.351 120.300 -0.004 0.000 2.128 487 Y HA -0.245 4.303 4.550 -0.004 0.000 0.284 487 Y C 2.374 178.151 175.900 -0.205 0.000 1.154 487 Y CA 1.832 59.858 58.100 -0.122 0.000 1.149 487 Y CB -0.826 37.664 38.460 0.051 0.000 0.976 487 Y HN -0.030 nan 8.280 nan 0.000 0.505 488 K N 0.003 120.357 120.400 -0.075 0.000 2.034 488 K HA -0.308 4.010 4.320 -0.003 0.000 0.214 488 K C 2.106 178.627 176.600 -0.132 0.000 1.051 488 K CA 2.074 58.257 56.287 -0.173 0.000 0.931 488 K CB -0.338 31.987 32.500 -0.291 0.000 0.715 488 K HN 0.380 nan 8.250 nan 0.000 0.446 489 E N 1.005 121.130 120.200 -0.125 0.000 2.058 489 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 489 E C 2.061 178.551 176.600 -0.184 0.000 0.997 489 E CA 1.090 57.416 56.400 -0.123 0.000 0.801 489 E CB -0.025 29.631 29.700 -0.074 0.000 0.746 489 E HN 0.213 nan 8.360 nan 0.000 0.450 490 L N 0.567 121.608 121.223 -0.303 0.000 2.017 490 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 490 L C 2.552 179.272 176.870 -0.249 0.000 1.073 490 L CA 0.995 55.635 54.840 -0.333 0.000 0.745 490 L CB -0.327 41.421 42.059 -0.518 0.000 0.894 490 L HN 0.273 nan 8.230 nan 0.000 0.432 491 I N -0.791 119.655 120.570 -0.206 0.000 2.361 491 I HA -0.296 3.872 4.170 -0.003 0.000 0.251 491 I C 2.781 178.811 176.117 -0.145 0.000 1.133 491 I CA 1.064 62.251 61.300 -0.188 0.000 1.413 491 I CB -0.336 37.618 38.000 -0.077 0.000 1.073 491 I HN 0.247 nan 8.210 nan 0.000 0.424 492 R N 1.039 121.488 120.500 -0.086 0.000 2.070 492 R HA -0.138 4.200 4.340 -0.003 0.000 0.232 492 R C 2.404 178.655 176.300 -0.081 0.000 1.138 492 R CA 1.474 57.552 56.100 -0.037 0.000 0.936 492 R CB -0.267 29.996 30.300 -0.061 0.000 0.839 492 R HN 0.267 nan 8.270 nan 0.000 0.429 493 L N 0.046 121.191 121.223 -0.131 0.000 2.079 493 L HA -0.213 4.125 4.340 -0.003 0.000 0.210 493 L C 2.769 179.536 176.870 -0.172 0.000 1.081 493 L CA 1.428 56.175 54.840 -0.155 0.000 0.752 493 L CB -0.413 41.556 42.059 -0.151 0.000 0.896 493 L HN 0.243 nan 8.230 nan 0.000 0.433 494 R N -1.083 119.293 120.500 -0.208 0.000 2.115 494 R HA -0.151 4.187 4.340 -0.003 0.000 0.230 494 R C 2.352 178.516 176.300 -0.226 0.000 1.111 494 R CA 1.068 57.021 56.100 -0.245 0.000 0.976 494 R CB -0.087 30.016 30.300 -0.328 0.000 0.870 494 R HN 0.428 nan 8.270 nan 0.000 0.445 495 H N 0.293 119.297 119.070 -0.111 0.000 2.428 495 H HA -0.042 4.512 4.556 -0.003 0.000 0.296 495 H C 1.808 177.070 175.328 -0.110 0.000 1.062 495 H CA 1.570 57.560 56.048 -0.097 0.000 1.350 495 H CB 0.203 29.915 29.762 -0.083 0.000 1.403 495 H HN 0.378 nan 8.280 nan 0.000 0.533 496 R N 0.253 120.733 120.500 -0.033 0.000 2.280 496 R HA 0.166 4.504 4.340 -0.003 0.000 0.195 496 R C 0.351 176.543 176.300 -0.180 0.000 0.935 496 R CA 0.123 56.158 56.100 -0.108 0.000 1.033 496 R CB 0.122 30.331 30.300 -0.151 0.000 0.964 496 R HN 0.027 nan 8.270 nan 0.000 0.489 497 L N 2.282 123.391 121.223 -0.189 0.000 2.352 497 L HA 0.370 4.708 4.340 -0.003 0.000 0.272 497 L C 1.207 178.007 176.870 -0.118 0.000 1.109 497 L CA -0.593 54.120 54.840 -0.212 0.000 0.952 497 L CB 1.402 43.321 42.059 -0.234 0.000 1.314 497 L HN 0.219 nan 8.230 nan 0.000 0.427 498 A N 1.630 124.400 122.820 -0.084 0.000 2.054 498 A HA -0.234 4.084 4.320 -0.003 0.000 0.223 498 A C 2.321 179.873 177.584 -0.052 0.000 1.169 498 A CA 2.376 54.382 52.037 -0.052 0.000 0.655 498 A CB -0.247 18.735 19.000 -0.029 0.000 0.812 498 A HN 0.685 nan 8.150 nan 0.000 0.462 499 S N -0.527 115.148 115.700 -0.042 0.000 2.402 499 S HA -0.018 4.450 4.470 -0.003 0.000 0.229 499 S C 1.592 176.154 174.600 -0.063 0.000 1.021 499 S CA 1.285 59.460 58.200 -0.042 0.000 0.974 499 S CB -0.327 62.869 63.200 -0.006 0.000 0.800 499 S HN 0.571 nan 8.310 nan 0.000 0.484 500 L N 1.299 122.477 121.223 -0.074 0.000 2.395 500 L HA -0.006 4.332 4.340 -0.003 0.000 0.218 500 L C 2.443 179.247 176.870 -0.110 0.000 1.130 500 L CA 1.179 55.968 54.840 -0.085 0.000 0.826 500 L CB -0.691 41.307 42.059 -0.102 0.000 0.941 500 L HN 0.464 nan 8.230 nan 0.000 0.451 501 T N -3.973 110.518 114.554 -0.104 0.000 3.056 501 T HA 0.076 4.424 4.350 -0.003 0.000 0.241 501 T C 1.683 176.318 174.700 -0.110 0.000 1.006 501 T CA -0.159 61.875 62.100 -0.111 0.000 1.115 501 T CB 0.119 68.936 68.868 -0.085 0.000 0.939 501 T HN 0.171 nan 8.240 nan 0.000 0.462 502 R N 1.101 121.545 120.500 -0.093 0.000 2.543 502 R HA 0.464 4.802 4.340 -0.003 0.000 0.323 502 R C 0.904 177.147 176.300 -0.094 0.000 1.002 502 R CA -0.316 55.728 56.100 -0.093 0.000 1.106 502 R CB 1.059 31.316 30.300 -0.073 0.000 1.280 502 R HN 0.419 nan 8.270 nan 0.000 0.549 503 G N 0.648 109.390 108.800 -0.097 0.000 2.502 503 G HA2 0.148 4.106 3.960 -0.003 0.000 0.305 503 G HA3 0.148 4.106 3.960 -0.003 0.000 0.305 503 G C -0.295 174.537 174.900 -0.113 0.000 1.190 503 G CA -0.773 44.268 45.100 -0.098 0.000 0.933 503 G HN 0.320 nan 8.290 nan 0.000 0.503 504 N N -2.323 116.311 118.700 -0.110 0.000 2.374 504 N HA 0.485 5.223 4.740 -0.003 0.000 0.284 504 N C -1.026 174.433 175.510 -0.085 0.000 1.280 504 N CA -0.745 52.240 53.050 -0.109 0.000 0.963 504 N CB 1.247 39.677 38.487 -0.096 0.000 1.141 504 N HN 0.241 nan 8.380 nan 0.000 0.565 505 V N -0.122 119.751 119.914 -0.068 0.000 2.577 505 V HA 0.487 4.605 4.120 -0.003 0.000 0.303 505 V C -0.627 175.498 176.094 0.052 0.000 1.042 505 V CA -0.833 61.478 62.300 0.020 0.000 0.872 505 V CB 1.396 33.197 31.823 -0.037 0.000 0.998 505 V HN 0.666 nan 8.190 nan 0.000 0.423 506 R N 1.975 122.544 120.500 0.115 0.000 2.574 506 R HA 0.545 4.883 4.340 -0.003 0.000 0.288 506 R C -0.519 175.911 176.300 0.216 0.000 1.004 506 R CA -0.594 55.572 56.100 0.110 0.000 0.895 506 R CB 2.263 32.591 30.300 0.047 0.000 1.191 506 R HN 0.692 nan 8.270 nan 0.000 0.444 507 S N 1.607 117.458 115.700 0.252 0.000 2.562 507 S HA 0.031 4.499 4.470 -0.003 0.000 0.281 507 S C 0.326 175.152 174.600 0.376 0.000 1.333 507 S CA -0.232 58.191 58.200 0.371 0.000 1.052 507 S CB 0.544 63.987 63.200 0.405 0.000 0.884 507 S HN 0.636 nan 8.310 nan 0.000 0.506 508 W N 2.933 124.328 121.300 0.159 0.000 2.777 508 W HA 0.258 4.916 4.660 -0.003 0.000 0.260 508 W C 0.512 177.156 176.519 0.208 0.000 1.194 508 W CA 0.678 58.100 57.345 0.129 0.000 1.447 508 W CB 0.082 29.576 29.460 0.057 0.000 1.009 508 W HN 0.744 nan 8.180 nan 0.000 0.613 509 H N -0.619 118.588 119.070 0.228 0.000 3.121 509 H HA 0.495 5.049 4.556 -0.003 0.000 0.337 509 H C -1.731 173.751 175.328 0.256 0.000 1.198 509 H CA 0.169 56.277 56.048 0.100 0.000 1.274 509 H CB 1.554 31.213 29.762 -0.171 0.000 1.954 509 H HN -0.117 nan 8.280 nan 0.000 0.531 510 A N 3.551 126.289 122.820 -0.136 0.000 2.459 510 A HA 0.430 4.748 4.320 -0.003 0.000 0.296 510 A C -1.682 175.840 177.584 -0.103 0.000 1.039 510 A CA -0.610 51.470 52.037 0.072 0.000 0.698 510 A CB 1.689 20.729 19.000 0.066 0.000 1.261 510 A HN 0.570 nan 8.150 nan 0.000 0.405 511 D N 2.190 122.641 120.400 0.085 0.000 2.479 511 D HA 0.173 4.811 4.640 -0.003 0.000 0.246 511 D C 0.815 177.188 176.300 0.121 0.000 1.336 511 D CA -0.387 53.662 54.000 0.082 0.000 0.967 511 D CB 1.397 42.307 40.800 0.184 0.000 1.275 511 D HN 0.592 nan 8.370 nan 0.000 0.577 512 K N 2.468 122.920 120.400 0.086 0.000 2.360 512 K HA -0.203 4.115 4.320 -0.003 0.000 0.201 512 K C 1.248 177.829 176.600 -0.032 0.000 1.046 512 K CA 1.042 57.359 56.287 0.050 0.000 0.945 512 K CB 0.351 32.711 32.500 -0.233 0.000 0.750 512 K HN 0.210 nan 8.250 nan 0.000 0.464 513 Q N 1.341 121.138 119.800 -0.004 0.000 2.084 513 Q HA 0.112 4.450 4.340 -0.003 0.000 0.194 513 Q C 2.056 178.073 176.000 0.029 0.000 0.969 513 Q CA 1.728 57.527 55.803 -0.007 0.000 0.829 513 Q CB -0.327 28.407 28.738 -0.006 0.000 0.904 513 Q HN 0.359 nan 8.270 nan 0.000 0.464 514 A N 0.317 123.174 122.820 0.062 0.000 2.119 514 A HA -0.014 4.304 4.320 -0.003 0.000 0.217 514 A C 0.836 178.480 177.584 0.100 0.000 1.153 514 A CA 0.930 53.011 52.037 0.073 0.000 0.692 514 A CB -0.705 18.349 19.000 0.090 0.000 0.799 514 A HN 0.702 nan 8.150 nan 0.000 0.458 515 N N -1.911 116.867 118.700 0.131 0.000 2.727 515 N HA -0.165 4.573 4.740 -0.003 0.000 0.249 515 N C -0.400 175.242 175.510 0.220 0.000 1.048 515 N CA 0.913 54.065 53.050 0.170 0.000 0.714 515 N CB -1.661 36.872 38.487 0.076 0.000 0.959 515 N HN 0.624 nan 8.380 nan 0.000 0.544 516 L N 0.788 122.164 121.223 0.254 0.000 2.322 516 L HA 0.599 4.937 4.340 -0.003 0.000 0.281 516 L C -0.887 176.234 176.870 0.419 0.000 1.014 516 L CA -0.979 54.033 54.840 0.288 0.000 0.815 516 L CB 0.986 43.153 42.059 0.180 0.000 1.247 516 L HN 0.228 nan 8.230 nan 0.000 0.421 517 Y N 4.658 125.132 120.300 0.290 0.000 2.462 517 Y HA 0.790 5.338 4.550 -0.003 0.000 0.346 517 Y C -0.867 175.254 175.900 0.369 0.000 0.976 517 Y CA -0.799 57.482 58.100 0.301 0.000 1.044 517 Y CB 1.955 40.571 38.460 0.260 0.000 1.230 517 Y HN 0.754 nan 8.280 nan 0.000 0.455 518 A N 5.513 128.278 122.820 -0.091 0.000 2.486 518 A HA 0.771 5.088 4.320 -0.003 0.000 0.300 518 A C -1.972 175.607 177.584 -0.008 0.000 1.048 518 A CA -0.526 51.494 52.037 -0.029 0.000 0.696 518 A CB 0.994 19.973 19.000 -0.036 0.000 1.278 518 A HN 0.787 nan 8.150 nan 0.000 0.405 519 F N -0.322 119.605 119.950 -0.037 0.000 2.643 519 F HA 0.834 5.359 4.527 -0.003 0.000 0.314 519 F C -1.265 174.615 175.800 0.133 0.000 1.096 519 F CA -1.585 56.448 58.000 0.055 0.000 0.953 519 F CB 1.239 40.244 39.000 0.008 0.000 1.345 519 F HN 0.325 nan 8.300 nan 0.000 0.468 520 V N 2.754 122.722 119.914 0.090 0.000 2.487 520 V HA 0.569 4.687 4.120 -0.003 0.000 0.298 520 V C -0.516 175.561 176.094 -0.028 0.000 1.028 520 V CA -0.776 61.451 62.300 -0.121 0.000 0.860 520 V CB 1.628 33.285 31.823 -0.278 0.000 0.991 520 V HN 0.687 nan 8.190 nan 0.000 0.427 521 R N 2.757 123.220 120.500 -0.062 0.000 2.265 521 R HA 0.708 5.046 4.340 -0.003 0.000 0.319 521 R C -0.491 175.744 176.300 -0.109 0.000 1.006 521 R CA -0.289 55.787 56.100 -0.041 0.000 0.880 521 R CB 1.620 31.909 30.300 -0.019 0.000 1.077 521 R HN 0.775 nan 8.270 nan 0.000 0.454 522 T N 0.473 114.932 114.554 -0.158 0.000 2.916 522 T HA 0.460 4.808 4.350 -0.003 0.000 0.298 522 T C -0.947 173.652 174.700 -0.169 0.000 1.031 522 T CA -0.736 61.207 62.100 -0.262 0.000 0.993 522 T CB 2.172 70.759 68.868 -0.469 0.000 1.045 522 T HN 0.298 nan 8.240 nan 0.000 0.454 523 V N 3.831 123.671 119.914 -0.125 0.000 2.711 523 V HA 0.496 4.613 4.120 -0.003 0.000 0.304 523 V C -0.509 175.567 176.094 -0.030 0.000 1.097 523 V CA -0.267 61.991 62.300 -0.070 0.000 0.906 523 V CB 1.468 33.262 31.823 -0.048 0.000 1.015 523 V HN 0.903 nan 8.190 nan 0.000 0.427 524 Q N 3.613 123.399 119.800 -0.024 0.000 1.669 524 Q HA -0.252 4.086 4.340 -0.003 0.000 0.383 524 Q C 0.643 176.673 176.000 0.050 0.000 0.879 524 Q CA 2.252 58.060 55.803 0.009 0.000 0.787 524 Q CB -1.008 27.739 28.738 0.016 0.000 3.896 524 Q HN 0.980 nan 8.270 nan 0.000 0.687 525 D N 0.785 121.232 120.400 0.079 0.000 2.348 525 D HA 0.020 4.658 4.640 -0.003 0.000 0.211 525 D C 0.522 176.963 176.300 0.234 0.000 0.998 525 D CA 0.478 54.556 54.000 0.129 0.000 0.873 525 D CB 0.147 40.971 40.800 0.041 0.000 0.925 525 D HN 0.243 nan 8.370 nan 0.000 0.524 526 Q N 0.617 120.544 119.800 0.211 0.000 2.304 526 Q HA 0.091 4.429 4.340 -0.003 0.000 0.260 526 Q C -0.786 175.433 176.000 0.364 0.000 0.965 526 Q CA 0.203 56.166 55.803 0.267 0.000 0.898 526 Q CB 0.456 29.335 28.738 0.235 0.000 1.196 526 Q HN 0.288 nan 8.270 nan 0.000 0.402 527 H N 1.919 121.020 119.070 0.053 0.000 2.679 527 H HA 0.487 5.041 4.556 -0.003 0.000 0.360 527 H C -1.291 174.121 175.328 0.141 0.000 1.105 527 H CA -1.092 54.989 56.048 0.054 0.000 1.196 527 H CB 2.051 31.834 29.762 0.035 0.000 1.636 527 H HN 0.357 nan 8.280 nan 0.000 0.531 528 V N 2.309 122.343 119.914 0.200 0.000 2.419 528 V HA 0.326 4.444 4.120 -0.003 0.000 0.287 528 V C 0.337 176.437 176.094 0.010 0.000 1.017 528 V CA -0.829 61.575 62.300 0.173 0.000 0.844 528 V CB 1.557 33.448 31.823 0.113 0.000 1.011 528 V HN 0.961 nan 8.190 nan 0.000 0.429 529 G N 3.516 112.332 108.800 0.027 0.000 2.319 529 G HA2 0.564 4.522 3.960 -0.003 0.000 0.308 529 G HA3 0.564 4.522 3.960 -0.003 0.000 0.308 529 G C -0.661 174.257 174.900 0.030 0.000 1.117 529 G CA -0.366 44.687 45.100 -0.078 0.000 0.903 529 G HN 0.528 nan 8.290 nan 0.000 0.436 530 V N 3.052 122.817 119.914 -0.249 0.000 2.394 530 V HA 0.364 4.482 4.120 -0.003 0.000 0.282 530 V C -0.044 176.033 176.094 -0.028 0.000 1.031 530 V CA -0.621 61.525 62.300 -0.257 0.000 0.881 530 V CB 1.463 32.857 31.823 -0.715 0.000 0.982 530 V HN 0.504 nan 8.190 nan 0.000 0.451 531 V N 6.562 126.526 119.914 0.084 0.000 2.378 531 V HA 0.461 4.579 4.120 -0.003 0.000 0.288 531 V C -0.244 175.956 176.094 0.177 0.000 1.016 531 V CA -0.496 61.853 62.300 0.082 0.000 0.840 531 V CB 1.525 33.321 31.823 -0.045 0.000 0.994 531 V HN 0.646 nan 8.190 nan 0.000 0.431 532 L N 4.226 125.612 121.223 0.272 0.000 2.276 532 L HA 0.506 4.844 4.340 -0.003 0.000 0.286 532 L C 0.161 177.212 176.870 0.302 0.000 1.024 532 L CA -0.431 54.623 54.840 0.357 0.000 0.826 532 L CB 1.146 43.543 42.059 0.564 0.000 1.211 532 L HN 0.611 nan 8.230 nan 0.000 0.422 533 N N 2.507 121.351 118.700 0.239 0.000 3.034 533 N HA -0.018 4.720 4.740 -0.003 0.000 0.265 533 N C 0.218 175.885 175.510 0.262 0.000 1.166 533 N CA -0.156 53.014 53.050 0.200 0.000 1.081 533 N CB 0.101 38.669 38.487 0.134 0.000 1.378 533 N HN 0.414 nan 8.380 nan 0.000 0.520 534 N N 2.066 120.904 118.700 0.230 0.000 3.210 534 N HA 0.063 4.801 4.740 -0.003 0.000 0.314 534 N C -0.939 174.709 175.510 0.230 0.000 1.291 534 N CA 0.117 53.248 53.050 0.134 0.000 1.202 534 N CB -0.342 37.979 38.487 -0.276 0.000 1.475 534 N HN 0.487 nan 8.380 nan 0.000 0.554 535 R N -1.124 119.623 120.500 0.413 0.000 2.604 535 R HA 0.398 4.736 4.340 -0.003 0.000 0.270 535 R C -0.048 176.128 176.300 -0.206 0.000 1.052 535 R CA -0.771 55.461 56.100 0.220 0.000 0.902 535 R CB 1.003 31.347 30.300 0.075 0.000 1.233 535 R HN 0.213 nan 8.270 nan 0.000 0.455 536 G N 2.605 111.088 108.800 -0.528 0.000 3.455 536 G HA2 0.081 4.039 3.960 -0.003 0.000 0.250 536 G HA3 0.081 4.039 3.960 -0.003 0.000 0.250 536 G C -0.380 174.307 174.900 -0.355 0.000 1.071 536 G CA 0.337 44.950 45.100 -0.812 0.000 1.812 536 G HN 0.383 nan 8.290 nan 0.000 0.643 537 E N 0.239 120.299 120.200 -0.233 0.000 2.321 537 E HA 0.160 4.508 4.350 -0.003 0.000 0.278 537 E C -0.816 175.732 176.600 -0.086 0.000 0.902 537 E CA -0.767 55.556 56.400 -0.129 0.000 0.758 537 E CB 1.871 31.520 29.700 -0.085 0.000 1.213 537 E HN 0.245 nan 8.360 nan 0.000 0.426 538 K N 3.105 123.465 120.400 -0.067 0.000 2.412 538 K HA 0.059 4.377 4.320 -0.003 0.000 0.284 538 K C -0.480 176.102 176.600 -0.031 0.000 1.046 538 K CA 0.564 56.826 56.287 -0.042 0.000 0.999 538 K CB 0.528 33.008 32.500 -0.034 0.000 0.941 538 K HN 0.386 nan 8.250 nan 0.000 0.474 539 Q N 2.118 121.904 119.800 -0.023 0.000 2.413 539 Q HA 0.314 4.652 4.340 -0.003 0.000 0.276 539 Q C -1.091 174.892 176.000 -0.028 0.000 1.099 539 Q CA -1.013 54.777 55.803 -0.022 0.000 0.814 539 Q CB 2.641 31.371 28.738 -0.014 0.000 1.379 539 Q HN 0.565 nan 8.270 nan 0.000 0.436 540 T N 0.825 115.358 114.554 -0.034 0.000 2.855 540 T HA 0.563 4.911 4.350 -0.003 0.000 0.281 540 T C -1.287 173.368 174.700 -0.074 0.000 1.007 540 T CA -0.539 61.532 62.100 -0.048 0.000 1.009 540 T CB 1.538 70.384 68.868 -0.037 0.000 0.983 540 T HN 0.317 nan 8.240 nan 0.000 0.455 541 V N 3.868 123.712 119.914 -0.116 0.000 2.841 541 V HA 0.718 4.836 4.120 -0.003 0.000 0.310 541 V C -1.715 174.256 176.094 -0.205 0.000 1.090 541 V CA -1.006 61.180 62.300 -0.190 0.000 0.930 541 V CB 2.019 33.661 31.823 -0.302 0.000 1.014 541 V HN 0.723 nan 8.190 nan 0.000 0.425 542 L N 7.021 128.124 121.223 -0.201 0.000 2.277 542 L HA 0.611 4.949 4.340 -0.003 0.000 0.284 542 L C -0.763 175.978 176.870 -0.216 0.000 1.028 542 L CA 0.147 54.893 54.840 -0.158 0.000 0.835 542 L CB 0.893 42.907 42.059 -0.076 0.000 1.215 542 L HN 0.627 nan 8.230 nan 0.000 0.425 543 L N 4.200 125.260 121.223 -0.272 0.000 2.325 543 L HA 0.455 4.793 4.340 -0.003 0.000 0.279 543 L C 0.128 176.966 176.870 -0.054 0.000 1.054 543 L CA -0.814 53.836 54.840 -0.318 0.000 0.804 543 L CB 1.226 42.848 42.059 -0.729 0.000 1.200 543 L HN 0.475 nan 8.230 nan 0.000 0.436 544 Q N 3.093 122.944 119.800 0.085 0.000 2.296 544 Q HA 0.255 4.593 4.340 -0.003 0.000 0.262 544 Q C -0.487 175.674 176.000 0.268 0.000 0.981 544 Q CA -0.126 55.777 55.803 0.167 0.000 0.905 544 Q CB 1.809 30.656 28.738 0.182 0.000 1.186 544 Q HN 0.512 nan 8.270 nan 0.000 0.399 545 V N 0.570 120.565 119.914 0.134 0.000 2.443 545 V HA 0.357 4.475 4.120 -0.003 0.000 0.272 545 V C -2.439 173.701 176.094 0.076 0.000 1.002 545 V CA -2.220 60.122 62.300 0.069 0.000 0.840 545 V CB 1.201 32.953 31.823 -0.119 0.000 1.042 545 V HN 0.538 nan 8.190 nan 0.000 0.446 546 P HA 0.108 nan 4.420 nan 0.000 0.261 546 P C 0.817 178.179 177.300 0.103 0.000 1.183 546 P CA 0.426 63.577 63.100 0.084 0.000 0.761 546 P CB 1.120 32.865 31.700 0.075 0.000 0.785 547 E N 1.883 122.141 120.200 0.096 0.000 2.284 547 E HA -0.231 4.117 4.350 -0.003 0.000 0.200 547 E C 1.978 178.616 176.600 0.064 0.000 1.008 547 E CA 1.886 58.346 56.400 0.101 0.000 0.829 547 E CB -0.185 29.556 29.700 0.067 0.000 0.744 547 E HN 0.623 nan 8.360 nan 0.000 0.491 548 S N -0.076 115.651 115.700 0.044 0.000 2.383 548 S HA -0.129 4.339 4.470 -0.003 0.000 0.229 548 S C 2.055 176.629 174.600 -0.043 0.000 1.030 548 S CA 1.078 59.283 58.200 0.007 0.000 1.002 548 S CB -0.495 62.720 63.200 0.024 0.000 0.829 548 S HN 0.318 nan 8.310 nan 0.000 0.467 549 G N 0.550 109.339 108.800 -0.018 0.000 2.920 549 G HA2 0.498 4.456 3.960 -0.003 0.000 0.208 549 G HA3 0.498 4.456 3.960 -0.003 0.000 0.208 549 G C 0.620 175.390 174.900 -0.217 0.000 1.159 549 G CA 0.038 45.033 45.100 -0.175 0.000 0.784 549 G HN 1.220 nan 8.290 nan 0.000 0.535 550 G N -0.743 107.978 108.800 -0.132 0.000 2.357 550 G HA2 0.127 4.085 3.960 -0.003 0.000 0.643 550 G HA3 0.127 4.085 3.960 -0.003 0.000 0.643 550 G C -0.044 174.783 174.900 -0.122 0.000 1.358 550 G CA -0.427 44.431 45.100 -0.403 0.000 0.986 550 G HN -0.017 nan 8.290 nan 0.000 0.620 551 K N -0.751 119.518 120.400 -0.217 0.000 2.450 551 K HA 0.262 4.580 4.320 -0.003 0.000 0.206 551 K C 0.661 177.368 176.600 0.178 0.000 1.148 551 K CA 1.283 57.637 56.287 0.111 0.000 1.014 551 K CB 1.224 33.748 32.500 0.041 0.000 0.966 551 K HN 1.004 nan 8.250 nan 0.000 0.566 552 T N -1.500 112.936 114.554 -0.196 0.000 2.916 552 T HA 0.547 4.895 4.350 -0.003 0.000 0.298 552 T C -0.721 173.742 174.700 -0.396 0.000 1.031 552 T CA -0.776 61.258 62.100 -0.111 0.000 0.993 552 T CB 1.808 70.575 68.868 -0.168 0.000 1.045 552 T HN 0.026 nan 8.240 nan 0.000 0.454 553 W N 1.829 123.012 121.300 -0.195 0.000 2.864 553 W HA 0.679 5.337 4.660 -0.003 0.000 0.343 553 W C -1.322 175.126 176.519 -0.118 0.000 1.109 553 W CA -1.017 56.237 57.345 -0.151 0.000 1.192 553 W CB 2.572 31.997 29.460 -0.059 0.000 1.426 553 W HN 0.554 nan 8.180 nan 0.000 0.529 554 L N 2.762 124.074 121.223 0.149 0.000 2.362 554 L HA 0.343 4.681 4.340 -0.003 0.000 0.275 554 L C -0.470 176.531 176.870 0.217 0.000 0.998 554 L CA -0.147 54.784 54.840 0.151 0.000 0.820 554 L CB 1.261 43.415 42.059 0.158 0.000 1.270 554 L HN 0.221 nan 8.230 nan 0.000 0.415 555 D N 3.600 124.097 120.400 0.162 0.000 2.365 555 D HA 0.105 4.743 4.640 -0.003 0.000 0.237 555 D C 0.774 177.155 176.300 0.134 0.000 1.190 555 D CA -0.128 53.962 54.000 0.151 0.000 0.867 555 D CB 0.956 41.825 40.800 0.116 0.000 1.050 555 D HN 0.733 nan 8.370 nan 0.000 0.491 556 C N 3.570 122.951 119.300 0.137 0.000 2.430 556 C HA -0.041 4.417 4.460 -0.003 0.000 0.288 556 C C 2.411 177.441 174.990 0.066 0.000 1.448 556 C CA 0.150 59.222 59.018 0.090 0.000 1.784 556 C CB -1.030 26.736 27.740 0.044 0.000 1.776 556 C HN 0.672 nan 8.230 nan 0.000 0.547 557 L N 0.295 121.569 121.223 0.085 0.000 2.477 557 L HA 0.034 4.372 4.340 -0.003 0.000 0.220 557 L C 2.427 179.354 176.870 0.096 0.000 1.106 557 L CA 1.566 56.464 54.840 0.097 0.000 0.851 557 L CB -0.364 41.774 42.059 0.132 0.000 0.994 557 L HN 0.502 nan 8.230 nan 0.000 0.462 558 T N -6.004 108.603 114.554 0.088 0.000 2.969 558 T HA 0.250 4.598 4.350 -0.003 0.000 0.258 558 T C 1.432 176.175 174.700 0.071 0.000 0.962 558 T CA 0.572 62.718 62.100 0.077 0.000 0.903 558 T CB 1.026 69.939 68.868 0.075 0.000 1.177 558 T HN 0.255 nan 8.240 nan 0.000 0.511 559 G N 2.006 110.853 108.800 0.078 0.000 2.184 559 G HA2 -0.296 3.661 3.960 -0.003 0.000 0.264 559 G HA3 -0.296 3.661 3.960 -0.003 0.000 0.264 559 G C -0.115 174.827 174.900 0.071 0.000 0.975 559 G CA 0.426 45.571 45.100 0.075 0.000 0.642 559 G HN 1.013 nan 8.290 nan 0.000 0.536 560 E N 0.798 121.040 120.200 0.071 0.000 2.360 560 E HA 0.383 4.731 4.350 -0.003 0.000 0.269 560 E C 0.000 176.634 176.600 0.057 0.000 1.022 560 E CA -0.186 56.253 56.400 0.064 0.000 0.887 560 E CB 0.413 30.151 29.700 0.063 0.000 0.990 560 E HN 0.454 nan 8.360 nan 0.000 0.426 561 E N 3.597 123.819 120.200 0.038 0.000 2.175 561 E HA 0.309 4.656 4.350 -0.003 0.000 0.278 561 E C -1.028 175.526 176.600 -0.075 0.000 0.969 561 E CA -0.926 55.451 56.400 -0.037 0.000 0.796 561 E CB 1.433 31.101 29.700 -0.052 0.000 1.104 561 E HN 0.415 nan 8.360 nan 0.000 0.395 562 V N 1.741 121.589 119.914 -0.110 0.000 2.604 562 V HA 0.565 4.683 4.120 -0.003 0.000 0.305 562 V C -1.045 174.972 176.094 -0.128 0.000 1.043 562 V CA -0.807 61.469 62.300 -0.039 0.000 0.888 562 V CB 1.326 33.176 31.823 0.046 0.000 0.995 562 V HN 0.695 nan 8.190 nan 0.000 0.429 563 H N 2.148 121.285 119.070 0.111 0.000 2.573 563 H HA 0.842 5.395 4.556 -0.003 0.000 0.351 563 H C 0.525 175.916 175.328 0.105 0.000 1.163 563 H CA 0.305 56.430 56.048 0.128 0.000 1.205 563 H CB 2.008 31.820 29.762 0.083 0.000 1.605 563 H HN 1.132 nan 8.280 nan 0.000 0.525 564 G N 0.454 109.409 108.800 0.259 0.000 2.400 564 G HA2 0.534 4.492 3.960 -0.003 0.000 0.333 564 G HA3 0.534 4.492 3.960 -0.003 0.000 0.333 564 G C -1.090 173.888 174.900 0.130 0.000 1.143 564 G CA -1.108 44.083 45.100 0.152 0.000 0.914 564 G HN 0.659 nan 8.290 nan 0.000 0.480 565 K N 0.616 121.064 120.400 0.081 0.000 2.426 565 K HA 0.529 4.847 4.320 -0.003 0.000 0.254 565 K C -0.102 176.528 176.600 0.049 0.000 0.936 565 K CA -0.855 55.469 56.287 0.062 0.000 0.801 565 K CB 1.869 34.396 32.500 0.044 0.000 1.139 565 K HN 0.497 nan 8.250 nan 0.000 0.424 566 Q N 1.652 121.482 119.800 0.049 0.000 2.439 566 Q HA -0.246 4.092 4.340 -0.003 0.000 0.325 566 Q C 0.520 176.548 176.000 0.047 0.000 1.372 566 Q CA 0.912 56.740 55.803 0.043 0.000 0.909 566 Q CB -1.886 26.871 28.738 0.032 0.000 1.167 566 Q HN 1.316 nan 8.270 nan 0.000 0.418 567 G N -0.496 108.339 108.800 0.059 0.000 2.153 567 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.252 567 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.252 567 G C -0.115 174.814 174.900 0.048 0.000 0.994 567 G CA 0.695 45.831 45.100 0.060 0.000 0.698 567 G HN 0.430 nan 8.290 nan 0.000 0.521 568 Q N -1.448 118.373 119.800 0.034 0.000 2.389 568 Q HA 0.736 5.074 4.340 -0.003 0.000 0.277 568 Q C -1.269 174.725 176.000 -0.011 0.000 1.082 568 Q CA -0.997 54.812 55.803 0.009 0.000 0.810 568 Q CB 2.235 30.976 28.738 0.006 0.000 1.374 568 Q HN 0.123 nan 8.270 nan 0.000 0.422 569 L N 2.036 123.226 121.223 -0.055 0.000 2.349 569 L HA 0.411 4.749 4.340 -0.003 0.000 0.278 569 L C -0.760 176.053 176.870 -0.095 0.000 0.996 569 L CA -0.141 54.653 54.840 -0.077 0.000 0.825 569 L CB 1.673 43.645 42.059 -0.145 0.000 1.243 569 L HN 0.382 nan 8.230 nan 0.000 0.412 570 K N 4.874 125.243 120.400 -0.051 0.000 2.234 570 K HA 0.680 4.998 4.320 -0.003 0.000 0.277 570 K C -1.425 175.142 176.600 -0.055 0.000 1.038 570 K CA -0.397 55.855 56.287 -0.058 0.000 0.888 570 K CB 0.587 33.073 32.500 -0.023 0.000 1.091 570 K HN 0.549 nan 8.250 nan 0.000 0.467 571 L N 2.938 124.108 121.223 -0.089 0.000 2.362 571 L HA 0.456 4.794 4.340 -0.003 0.000 0.271 571 L C -0.476 176.360 176.870 -0.056 0.000 1.002 571 L CA -0.983 53.814 54.840 -0.071 0.000 0.818 571 L CB 2.326 44.318 42.059 -0.113 0.000 1.298 571 L HN 0.571 nan 8.230 nan 0.000 0.420 572 T N 3.987 118.525 114.554 -0.026 0.000 2.815 572 T HA 0.539 4.887 4.350 -0.003 0.000 0.289 572 T C -0.568 174.129 174.700 -0.005 0.000 1.000 572 T CA -0.442 61.647 62.100 -0.018 0.000 0.958 572 T CB 1.108 69.971 68.868 -0.008 0.000 0.944 572 T HN 0.144 nan 8.240 nan 0.000 0.442 573 L N 3.675 124.895 121.223 -0.005 0.000 2.322 573 L HA 0.543 4.881 4.340 -0.003 0.000 0.281 573 L C 0.840 177.716 176.870 0.011 0.000 1.014 573 L CA -0.621 54.229 54.840 0.016 0.000 0.815 573 L CB 1.566 43.642 42.059 0.029 0.000 1.247 573 L HN 0.529 nan 8.230 nan 0.000 0.421 574 R N 2.632 123.142 120.500 0.017 0.000 2.747 574 R HA 0.276 4.614 4.340 -0.003 0.000 0.278 574 R C -2.166 174.127 176.300 -0.013 0.000 1.153 574 R CA -1.559 54.539 56.100 -0.003 0.000 1.206 574 R CB -0.284 30.018 30.300 0.003 0.000 1.161 574 R HN 0.352 nan 8.270 nan 0.000 0.589 575 P HA -0.127 nan 4.420 nan 0.000 0.261 575 P C -0.879 176.390 177.300 -0.051 0.000 1.183 575 P CA 0.964 63.952 63.100 -0.188 0.000 0.761 575 P CB -0.066 31.464 31.700 -0.283 0.000 0.785 576 Y N -1.026 119.288 120.300 0.023 0.000 4.079 576 Y HA -0.311 4.237 4.550 -0.004 0.000 0.223 576 Y C 0.979 176.913 175.900 0.056 0.000 1.155 576 Y CA -0.297 57.828 58.100 0.041 0.000 1.805 576 Y CB -1.336 37.140 38.460 0.026 0.000 1.571 576 Y HN 0.476 nan 8.280 nan 0.000 0.654 577 Q N 1.111 121.029 119.800 0.198 0.000 2.260 577 Q HA 0.584 4.922 4.340 -0.003 0.000 0.242 577 Q C 0.354 176.456 176.000 0.170 0.000 0.932 577 Q CA 0.189 56.081 55.803 0.148 0.000 0.891 577 Q CB 1.630 30.427 28.738 0.098 0.000 1.222 577 Q HN 0.335 nan 8.270 nan 0.000 0.453 578 G N 2.607 111.510 108.800 0.172 0.000 2.566 578 G HA2 0.594 4.552 3.960 -0.003 0.000 0.311 578 G HA3 0.594 4.552 3.960 -0.003 0.000 0.311 578 G C -1.366 173.628 174.900 0.157 0.000 1.322 578 G CA -0.645 44.570 45.100 0.192 0.000 0.969 578 G HN 0.593 nan 8.290 nan 0.000 0.490 579 M N 1.445 121.126 119.600 0.134 0.000 2.456 579 M HA 0.544 5.022 4.480 -0.003 0.000 0.324 579 M C -0.818 175.546 176.300 0.107 0.000 1.124 579 M CA -0.608 54.760 55.300 0.113 0.000 0.959 579 M CB 2.420 35.072 32.600 0.087 0.000 1.692 579 M HN 0.315 nan 8.290 nan 0.000 0.444 580 I N 5.356 125.991 120.570 0.109 0.000 2.502 580 I HA 0.291 4.459 4.170 -0.003 0.000 0.276 580 I C -1.149 175.066 176.117 0.162 0.000 1.057 580 I CA -0.304 61.055 61.300 0.098 0.000 1.163 580 I CB 0.562 38.599 38.000 0.062 0.000 1.288 580 I HN 0.482 nan 8.210 nan 0.000 0.479 581 L N 4.712 126.061 121.223 0.211 0.000 2.260 581 L HA 0.314 4.652 4.340 -0.003 0.000 0.289 581 L C -0.683 176.463 176.870 0.460 0.000 1.057 581 L CA -0.339 54.701 54.840 0.334 0.000 0.811 581 L CB 0.604 42.864 42.059 0.335 0.000 1.184 581 L HN 0.548 nan 8.230 nan 0.000 0.429 582 W N 5.548 126.959 121.300 0.185 0.000 2.390 582 W HA 0.244 4.902 4.660 -0.004 0.000 0.312 582 W C 1.086 177.557 176.519 -0.079 0.000 1.123 582 W CA -0.996 56.393 57.345 0.072 0.000 1.202 582 W CB 0.827 30.290 29.460 0.004 0.000 1.251 582 W HN 0.594 nan 8.180 nan 0.000 0.511 583 N N 4.020 122.337 118.700 -0.637 0.000 2.434 583 N HA 0.002 4.740 4.740 -0.003 0.000 0.196 583 N C 1.297 175.975 175.510 -1.386 0.000 1.183 583 N CA 0.964 53.289 53.050 -1.207 0.000 0.849 583 N CB -0.352 37.608 38.487 -0.878 0.000 0.992 583 N HN 0.981 nan 8.380 nan 0.000 0.460 584 G N 0.281 107.599 108.800 -2.471 0.000 2.205 584 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.269 584 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.269 584 G C 0.269 174.473 174.900 -1.159 0.000 0.977 584 G CA 0.782 44.272 45.100 -2.682 0.000 0.652 584 G HN 0.550 nan 8.290 nan 0.000 0.539 585 R N 0.000 120.126 120.500 -0.624 0.000 2.786 585 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 585 R CA 0.000 56.018 56.100 -0.136 0.000 0.921 585 R CB 0.000 30.182 30.300 -0.196 0.000 0.687 585 R HN 0.000 nan 8.270 nan 0.000 0.535