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 2wu2_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 0.000 176.317 176.300 0.028 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 1.366 121.782 120.400 0.027 0.000 1.967 2 K HA 0.135 4.455 4.320 -0.000 0.000 0.212 2 K C 0.363 176.986 176.600 0.039 0.000 1.044 2 K CA 1.353 57.657 56.287 0.028 0.000 0.942 2 K CB 0.070 32.584 32.500 0.024 0.000 0.726 2 K HN 0.564 nan 8.250 nan 0.000 0.440 3 L N 2.404 123.658 121.223 0.052 0.000 2.485 3 L HA 0.071 4.411 4.340 -0.000 0.000 0.275 3 L C -2.047 174.862 176.870 0.064 0.000 1.207 3 L CA -1.251 53.632 54.840 0.071 0.000 0.855 3 L CB -0.257 41.863 42.059 0.100 0.000 1.114 3 L HN 0.126 nan 8.230 nan 0.000 0.485 4 P HA 0.075 nan 4.420 nan 0.000 0.266 4 P C -1.039 176.244 177.300 -0.029 0.000 1.195 4 P CA -0.094 63.010 63.100 0.007 0.000 0.768 4 P CB 0.488 32.192 31.700 0.007 0.000 0.838 5 V N 5.307 125.175 119.914 -0.076 0.000 2.384 5 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 5 V C 0.488 176.409 176.094 -0.287 0.000 1.020 5 V CA -0.464 61.729 62.300 -0.177 0.000 0.850 5 V CB 1.145 32.899 31.823 -0.114 0.000 0.987 5 V HN 0.427 nan 8.190 nan 0.000 0.436 6 R N 3.349 123.582 120.500 -0.446 0.000 2.310 6 R HA 0.481 4.821 4.340 -0.000 0.000 0.324 6 R C -0.489 175.578 176.300 -0.389 0.000 0.955 6 R CA -0.480 55.355 56.100 -0.442 0.000 0.830 6 R CB 2.161 32.111 30.300 -0.584 0.000 1.154 6 R HN 0.754 nan 8.270 nan 0.000 0.458 7 E N 3.750 123.663 120.200 -0.479 0.000 2.175 7 E HA 0.392 4.742 4.350 -0.000 0.000 0.278 7 E C -1.215 174.984 176.600 -0.669 0.000 0.969 7 E CA -0.439 55.721 56.400 -0.400 0.000 0.796 7 E CB 0.807 30.329 29.700 -0.296 0.000 1.104 7 E HN 0.291 nan 8.360 nan 0.000 0.395 8 F N 1.533 121.435 119.950 -0.080 0.000 2.643 8 F HA 0.224 4.751 4.527 0.000 0.000 0.314 8 F C 0.965 176.738 175.800 -0.044 0.000 1.096 8 F CA -0.871 57.104 58.000 -0.042 0.000 0.953 8 F CB 1.501 40.491 39.000 -0.017 0.000 1.345 8 F HN 0.401 nan 8.300 nan 0.000 0.468 9 D N 0.790 121.278 120.400 0.146 0.000 2.117 9 D HA 0.050 4.690 4.640 -0.000 0.000 0.197 9 D C 0.408 176.735 176.300 0.045 0.000 0.987 9 D CA 1.358 55.396 54.000 0.063 0.000 0.829 9 D CB 0.073 40.892 40.800 0.031 0.000 0.961 9 D HN 0.416 nan 8.370 nan 0.000 0.460 10 A N 0.010 122.861 122.820 0.052 0.000 2.435 10 A HA 0.577 4.897 4.320 -0.000 0.000 0.304 10 A C -1.003 176.550 177.584 -0.051 0.000 1.064 10 A CA -0.529 51.489 52.037 -0.032 0.000 0.727 10 A CB 2.269 21.204 19.000 -0.109 0.000 1.284 10 A HN -0.082 nan 8.150 nan 0.000 0.415 11 V N 2.250 122.110 119.914 -0.090 0.000 2.444 11 V HA 0.440 4.560 4.120 -0.000 0.000 0.294 11 V C -0.621 175.369 176.094 -0.173 0.000 1.022 11 V CA -0.474 61.715 62.300 -0.185 0.000 0.850 11 V CB 1.627 33.366 31.823 -0.140 0.000 0.992 11 V HN 0.675 nan 8.190 nan 0.000 0.426 12 V N 6.640 126.429 119.914 -0.208 0.000 2.370 12 V HA 0.468 4.587 4.120 -0.000 0.000 0.283 12 V C -0.009 175.979 176.094 -0.176 0.000 1.023 12 V CA -0.359 61.850 62.300 -0.153 0.000 0.857 12 V CB 1.666 33.415 31.823 -0.123 0.000 0.985 12 V HN 0.691 nan 8.190 nan 0.000 0.443 13 I N 5.068 125.554 120.570 -0.141 0.000 2.276 13 I HA 0.681 4.851 4.170 -0.000 0.000 0.290 13 I C 0.729 176.782 176.117 -0.106 0.000 1.109 13 I CA 0.034 61.243 61.300 -0.152 0.000 1.229 13 I CB 0.751 38.668 38.000 -0.140 0.000 1.452 13 I HN 0.846 nan 8.210 nan 0.000 0.497 14 G N 4.304 113.044 108.800 -0.099 0.000 2.957 14 G HA2 0.236 4.196 3.960 -0.000 0.000 0.636 14 G HA3 0.236 4.196 3.960 -0.000 0.000 0.636 14 G C -0.598 174.266 174.900 -0.060 0.000 1.401 14 G CA -0.334 44.727 45.100 -0.066 0.000 0.941 14 G HN 0.712 nan 8.290 nan 0.000 0.610 15 A N 1.360 124.146 122.820 -0.058 0.000 2.855 15 A HA 0.802 5.122 4.320 -0.000 0.000 0.301 15 A C 1.238 178.784 177.584 -0.063 0.000 1.076 15 A CA 1.004 53.001 52.037 -0.066 0.000 1.004 15 A CB -0.116 18.828 19.000 -0.092 0.000 1.152 15 A HN 2.028 nan 8.150 nan 0.000 0.531 16 G N -0.708 108.072 108.800 -0.034 0.000 2.494 16 G HA2 0.400 4.359 3.960 -0.000 0.000 0.270 16 G HA3 0.400 4.359 3.960 -0.000 0.000 0.270 16 G C 1.188 176.079 174.900 -0.015 0.000 1.423 16 G CA 0.145 45.234 45.100 -0.019 0.000 1.055 16 G HN 0.592 nan 8.290 nan 0.000 0.536 17 G N -0.283 108.517 108.800 0.001 0.000 2.469 17 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 17 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 17 G C 1.911 176.824 174.900 0.023 0.000 1.150 17 G CA 2.008 47.113 45.100 0.009 0.000 0.763 17 G HN 0.900 nan 8.290 nan 0.000 0.561 18 A N 0.726 123.571 122.820 0.040 0.000 1.854 18 A HA 0.259 4.579 4.320 -0.000 0.000 0.214 18 A C 2.755 180.356 177.584 0.029 0.000 1.192 18 A CA 1.954 54.025 52.037 0.057 0.000 0.611 18 A CB -1.132 17.919 19.000 0.084 0.000 0.832 18 A HN 0.541 nan 8.150 nan 0.000 0.442 19 G N -0.665 108.140 108.800 0.007 0.000 2.440 19 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.218 19 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.218 19 G C 1.641 176.523 174.900 -0.029 0.000 1.154 19 G CA 1.233 46.322 45.100 -0.018 0.000 0.767 19 G HN 0.416 nan 8.290 nan 0.000 0.552 20 M N -0.451 119.134 119.600 -0.026 0.000 2.175 20 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 20 M C 2.622 178.905 176.300 -0.028 0.000 1.063 20 M CA 1.158 56.440 55.300 -0.030 0.000 1.119 20 M CB -0.174 32.411 32.600 -0.025 0.000 1.377 20 M HN 0.167 nan 8.290 nan 0.000 0.415 21 R N 0.909 121.400 120.500 -0.014 0.000 2.066 21 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 21 R C 2.070 178.361 176.300 -0.015 0.000 1.131 21 R CA 1.984 58.077 56.100 -0.011 0.000 0.955 21 R CB -0.824 29.480 30.300 0.006 0.000 0.851 21 R HN 0.303 nan 8.270 nan 0.000 0.432 22 A N 0.378 123.193 122.820 -0.008 0.000 1.877 22 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 22 A C 2.386 179.944 177.584 -0.043 0.000 1.186 22 A CA 1.971 53.997 52.037 -0.018 0.000 0.620 22 A CB -1.230 17.763 19.000 -0.012 0.000 0.822 22 A HN 0.475 nan 8.150 nan 0.000 0.443 23 A N -0.834 121.956 122.820 -0.051 0.000 1.940 23 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 23 A C 2.134 179.685 177.584 -0.054 0.000 1.176 23 A CA 1.822 53.822 52.037 -0.062 0.000 0.631 23 A CB -0.593 18.366 19.000 -0.068 0.000 0.814 23 A HN 0.545 nan 8.150 nan 0.000 0.446 24 L N -0.705 120.488 121.223 -0.051 0.000 1.994 24 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 24 L C 2.554 179.397 176.870 -0.045 0.000 1.071 24 L CA 2.595 57.404 54.840 -0.051 0.000 0.745 24 L CB -0.832 41.197 42.059 -0.051 0.000 0.892 24 L HN 0.477 nan 8.230 nan 0.000 0.431 25 Q N -0.197 119.578 119.800 -0.042 0.000 2.061 25 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 25 Q C 2.127 178.098 176.000 -0.048 0.000 0.984 25 Q CA 2.324 58.101 55.803 -0.043 0.000 0.846 25 Q CB -0.432 28.282 28.738 -0.039 0.000 0.902 25 Q HN 0.625 nan 8.270 nan 0.000 0.421 26 I N -0.430 120.108 120.570 -0.054 0.000 2.163 26 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 26 I C 2.454 178.547 176.117 -0.041 0.000 1.085 26 I CA 1.484 62.749 61.300 -0.059 0.000 1.347 26 I CB -0.561 37.393 38.000 -0.076 0.000 1.044 26 I HN 0.259 nan 8.210 nan 0.000 0.408 27 S N 0.275 115.955 115.700 -0.034 0.000 2.368 27 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 27 S C 2.009 176.599 174.600 -0.018 0.000 1.029 27 S CA 1.340 59.529 58.200 -0.018 0.000 0.988 27 S CB -0.180 63.009 63.200 -0.018 0.000 0.838 27 S HN 0.449 nan 8.310 nan 0.000 0.462 28 Q N 0.434 120.218 119.800 -0.027 0.000 2.224 28 Q HA 0.072 4.412 4.340 -0.000 0.000 0.203 28 Q C 1.925 177.910 176.000 -0.025 0.000 0.970 28 Q CA 1.360 57.148 55.803 -0.026 0.000 0.865 28 Q CB -0.127 28.592 28.738 -0.031 0.000 0.922 28 Q HN 0.474 nan 8.270 nan 0.000 0.445 29 S N -0.920 114.762 115.700 -0.030 0.000 2.660 29 S HA 0.084 4.554 4.470 -0.000 0.000 0.223 29 S C 1.125 175.713 174.600 -0.021 0.000 0.963 29 S CA 0.633 58.814 58.200 -0.031 0.000 0.932 29 S CB 0.239 63.413 63.200 -0.042 0.000 0.775 29 S HN 0.678 nan 8.310 nan 0.000 0.531 30 G N 0.579 109.371 108.800 -0.014 0.000 2.238 30 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 30 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 30 G C -0.094 174.806 174.900 -0.000 0.000 0.996 30 G CA -0.468 44.629 45.100 -0.006 0.000 0.632 30 G HN 0.496 nan 8.290 nan 0.000 0.503 31 Q N 1.387 121.186 119.800 -0.003 0.000 2.227 31 Q HA 0.568 4.908 4.340 -0.000 0.000 0.245 31 Q C 0.765 176.784 176.000 0.031 0.000 0.926 31 Q CA 0.195 56.002 55.803 0.007 0.000 0.895 31 Q CB 1.247 29.979 28.738 -0.009 0.000 1.230 31 Q HN 0.454 nan 8.270 nan 0.000 0.450 32 T N -2.060 112.532 114.554 0.064 0.000 2.899 32 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 32 T C -0.281 174.517 174.700 0.163 0.000 1.033 32 T CA -0.738 61.448 62.100 0.143 0.000 1.084 32 T CB 0.872 69.856 68.868 0.193 0.000 0.979 32 T HN 0.674 nan 8.240 nan 0.000 0.532 33 C N 2.498 121.898 119.300 0.167 0.000 2.832 33 C HA 0.730 5.189 4.460 -0.000 0.000 0.383 33 C C -0.302 174.562 174.990 -0.211 0.000 1.046 33 C CA -0.350 58.660 59.018 -0.012 0.000 1.242 33 C CB -0.066 27.650 27.740 -0.040 0.000 1.693 33 C HN 1.321 nan 8.230 nan 0.000 0.497 34 A N 5.244 127.715 122.820 -0.581 0.000 2.260 34 A HA 0.703 5.022 4.320 -0.000 0.000 0.314 34 A C -0.909 176.456 177.584 -0.365 0.000 1.257 34 A CA -0.398 51.211 52.037 -0.714 0.000 0.871 34 A CB 0.733 18.820 19.000 -1.522 0.000 1.166 34 A HN 1.206 nan 8.150 nan 0.000 0.522 35 L N 3.783 124.907 121.223 -0.165 0.000 2.265 35 L HA 0.630 4.970 4.340 -0.000 0.000 0.289 35 L C -1.148 175.658 176.870 -0.107 0.000 1.033 35 L CA -0.293 54.464 54.840 -0.139 0.000 0.814 35 L CB 0.763 42.767 42.059 -0.091 0.000 1.203 35 L HN 0.571 nan 8.230 nan 0.000 0.423 36 L N 4.055 125.161 121.223 -0.196 0.000 2.334 36 L HA 0.761 5.101 4.340 -0.000 0.000 0.275 36 L C -0.047 176.771 176.870 -0.086 0.000 1.036 36 L CA 0.166 54.893 54.840 -0.188 0.000 0.807 36 L CB 1.883 43.709 42.059 -0.390 0.000 1.231 36 L HN 0.706 nan 8.230 nan 0.000 0.438 37 S N 0.529 116.235 115.700 0.011 0.000 2.543 37 S HA 0.333 4.802 4.470 -0.000 0.000 0.273 37 S C 0.202 174.857 174.600 0.093 0.000 1.152 37 S CA -0.702 57.508 58.200 0.018 0.000 0.910 37 S CB 1.013 64.204 63.200 -0.016 0.000 1.105 37 S HN 0.713 nan 8.310 nan 0.000 0.465 38 K N 1.984 122.429 120.400 0.075 0.000 2.459 38 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 38 K C 0.548 177.231 176.600 0.138 0.000 1.030 38 K CA 0.516 56.883 56.287 0.134 0.000 1.026 38 K CB -0.198 32.410 32.500 0.180 0.000 0.809 38 K HN 0.427 nan 8.250 nan 0.000 0.504 39 V N -2.069 117.918 119.914 0.122 0.000 3.074 39 V HA 0.448 4.568 4.120 -0.000 0.000 0.314 39 V C -0.250 175.936 176.094 0.153 0.000 1.117 39 V CA -1.525 60.869 62.300 0.156 0.000 1.014 39 V CB 1.013 32.918 31.823 0.137 0.000 1.057 39 V HN 0.100 nan 8.190 nan 0.000 0.438 40 F N 3.790 123.769 119.950 0.047 0.000 2.623 40 F HA 0.250 4.777 4.527 -0.000 0.000 0.386 40 F C -1.513 174.225 175.800 -0.103 0.000 1.068 40 F CA -0.848 57.138 58.000 -0.023 0.000 1.265 40 F CB 0.806 39.778 39.000 -0.046 0.000 1.026 40 F HN 0.450 nan 8.300 nan 0.000 0.568 41 P HA -0.209 nan 4.420 nan 0.000 0.216 41 P C 1.384 178.393 177.300 -0.485 0.000 1.150 41 P CA 2.684 65.434 63.100 -0.583 0.000 0.843 41 P CB -0.187 31.123 31.700 -0.650 0.000 0.787 42 T N -3.735 110.436 114.554 -0.640 0.000 3.160 42 T HA 0.038 4.388 4.350 -0.000 0.000 0.257 42 T C 1.264 175.890 174.700 -0.125 0.000 1.147 42 T CA 0.216 62.063 62.100 -0.421 0.000 1.064 42 T CB -0.541 67.968 68.868 -0.598 0.000 0.949 42 T HN 0.078 nan 8.240 nan 0.000 0.526 43 R N 1.231 121.729 120.500 -0.004 0.000 2.334 43 R HA 0.304 4.644 4.340 -0.000 0.000 0.216 43 R C 0.402 176.737 176.300 0.060 0.000 0.905 43 R CA -0.106 56.040 56.100 0.077 0.000 1.064 43 R CB -0.140 30.243 30.300 0.139 0.000 1.046 43 R HN 0.325 nan 8.270 nan 0.000 0.508 44 S N 1.180 116.883 115.700 0.006 0.000 2.576 44 S HA -0.060 4.410 4.470 -0.000 0.000 0.272 44 S C 1.114 175.761 174.600 0.078 0.000 1.352 44 S CA -0.227 57.995 58.200 0.037 0.000 1.021 44 S CB 0.691 63.886 63.200 -0.009 0.000 0.887 44 S HN 0.400 nan 8.310 nan 0.000 0.542 45 H N 2.048 121.131 119.070 0.023 0.000 2.457 45 H HA -0.092 4.464 4.556 -0.000 0.000 0.297 45 H C 1.830 177.182 175.328 0.039 0.000 1.092 45 H CA 2.258 58.326 56.048 0.034 0.000 1.309 45 H CB -0.565 29.213 29.762 0.025 0.000 1.382 45 H HN 0.631 nan 8.280 nan 0.000 0.535 46 T N 0.213 114.744 114.554 -0.039 0.000 2.685 46 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 46 T C 2.227 176.878 174.700 -0.082 0.000 1.034 46 T CA 2.094 64.154 62.100 -0.068 0.000 1.149 46 T CB -0.739 68.117 68.868 -0.020 0.000 0.860 46 T HN 0.468 nan 8.240 nan 0.000 0.449 47 V N 0.096 119.982 119.914 -0.048 0.000 2.453 47 V HA -0.159 3.960 4.120 -0.000 0.000 0.252 47 V C 2.263 178.377 176.094 0.035 0.000 1.068 47 V CA 2.038 64.357 62.300 0.031 0.000 1.070 47 V CB -1.147 30.742 31.823 0.110 0.000 0.664 47 V HN 0.341 nan 8.190 nan 0.000 0.461 48 S N 0.437 116.080 115.700 -0.095 0.000 2.522 48 S HA 0.426 4.896 4.470 -0.000 0.000 0.227 48 S C 1.234 175.777 174.600 -0.095 0.000 0.986 48 S CA 0.447 58.582 58.200 -0.107 0.000 0.929 48 S CB -0.457 62.623 63.200 -0.199 0.000 0.769 48 S HN 0.937 nan 8.310 nan 0.000 0.529 49 A N 1.259 124.020 122.820 -0.098 0.000 2.511 49 A HA 0.230 4.550 4.320 -0.000 0.000 0.242 49 A C 0.889 178.498 177.584 0.041 0.000 1.069 49 A CA -0.038 51.989 52.037 -0.017 0.000 0.763 49 A CB 0.311 19.308 19.000 -0.004 0.000 1.001 49 A HN 0.467 nan 8.150 nan 0.000 0.498 50 Q N 2.290 122.137 119.800 0.079 0.000 2.530 50 Q HA 0.099 4.439 4.340 -0.000 0.000 0.198 50 Q C 2.137 178.213 176.000 0.128 0.000 0.956 50 Q CA 0.651 56.512 55.803 0.095 0.000 0.870 50 Q CB -0.029 28.763 28.738 0.091 0.000 1.050 50 Q HN 0.868 nan 8.270 nan 0.000 0.604 51 G N 0.410 109.333 108.800 0.205 0.000 2.422 51 G HA2 0.227 4.187 3.960 -0.000 0.000 0.218 51 G HA3 0.227 4.187 3.960 -0.000 0.000 0.218 51 G C 0.616 175.512 174.900 -0.006 0.000 1.140 51 G CA 0.835 46.098 45.100 0.271 0.000 0.775 51 G HN 0.551 nan 8.290 nan 0.000 0.545 52 G N -1.098 107.652 108.800 -0.084 0.000 2.293 52 G HA2 0.122 4.081 3.960 -0.000 0.000 0.282 52 G HA3 0.122 4.081 3.960 -0.000 0.000 0.282 52 G C -1.300 173.507 174.900 -0.155 0.000 1.299 52 G CA -0.556 44.485 45.100 -0.098 0.000 1.018 52 G HN 0.452 nan 8.290 nan 0.000 0.478 53 I N 1.208 121.719 120.570 -0.099 0.000 2.410 53 I HA 0.382 4.551 4.170 -0.000 0.000 0.286 53 I C 0.110 176.145 176.117 -0.137 0.000 1.009 53 I CA -0.591 60.672 61.300 -0.062 0.000 1.111 53 I CB 2.057 40.092 38.000 0.058 0.000 1.262 53 I HN 0.383 nan 8.210 nan 0.000 0.443 54 T N 5.999 120.467 114.554 -0.143 0.000 2.737 54 T HA 0.410 4.760 4.350 -0.000 0.000 0.296 54 T C -0.420 174.176 174.700 -0.173 0.000 0.922 54 T CA -0.119 61.863 62.100 -0.195 0.000 1.079 54 T CB 0.861 69.641 68.868 -0.146 0.000 0.892 54 T HN 0.354 nan 8.240 nan 0.000 0.514 55 V N 2.758 122.518 119.914 -0.257 0.000 2.950 55 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 55 V C -0.782 175.203 176.094 -0.183 0.000 1.297 55 V CA -0.920 61.283 62.300 -0.161 0.000 0.962 55 V CB 1.957 33.729 31.823 -0.085 0.000 1.081 55 V HN 0.897 nan 8.190 nan 0.000 0.432 56 A N 6.362 129.136 122.820 -0.077 0.000 3.077 56 A HA 0.386 4.706 4.320 -0.000 0.000 0.255 56 A C 0.966 178.490 177.584 -0.100 0.000 1.728 56 A CA -0.041 51.953 52.037 -0.071 0.000 1.383 56 A CB -0.636 18.392 19.000 0.047 0.000 1.097 56 A HN 0.935 nan 8.150 nan 0.000 0.634 57 L N 0.698 121.827 121.223 -0.156 0.000 2.275 57 L HA 0.014 4.354 4.340 -0.000 0.000 0.215 57 L C 1.883 178.657 176.870 -0.161 0.000 1.119 57 L CA 0.833 55.575 54.840 -0.163 0.000 0.790 57 L CB -0.382 41.553 42.059 -0.207 0.000 0.919 57 L HN 0.777 nan 8.230 nan 0.000 0.443 58 G N 0.394 109.075 108.800 -0.197 0.000 2.246 58 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 58 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 58 G C 0.532 175.320 174.900 -0.187 0.000 1.055 58 G CA 0.558 45.537 45.100 -0.202 0.000 0.851 58 G HN 0.356 nan 8.290 nan 0.000 0.500 59 N N -0.469 118.100 118.700 -0.219 0.000 2.349 59 N HA 0.015 4.755 4.740 -0.000 0.000 0.180 59 N C 2.261 177.688 175.510 -0.139 0.000 1.024 59 N CA 1.605 54.560 53.050 -0.157 0.000 0.869 59 N CB -0.313 38.082 38.487 -0.153 0.000 1.022 59 N HN 0.341 nan 8.380 nan 0.000 0.433 60 T N 0.112 114.538 114.554 -0.214 0.000 3.014 60 T HA 0.001 4.350 4.350 -0.000 0.000 0.263 60 T C -0.047 174.634 174.700 -0.031 0.000 1.078 60 T CA 0.920 62.944 62.100 -0.127 0.000 1.135 60 T CB -0.046 68.728 68.868 -0.158 0.000 0.895 60 T HN 0.568 nan 8.240 nan 0.000 0.480 61 H N -1.462 117.599 119.070 -0.015 0.000 2.981 61 H HA 0.554 5.109 4.556 -0.000 0.000 0.327 61 H C -1.258 174.075 175.328 0.008 0.000 1.342 61 H CA -1.125 54.930 56.048 0.012 0.000 1.123 61 H CB 0.402 30.186 29.762 0.038 0.000 1.851 61 H HN -0.124 nan 8.280 nan 0.000 0.531 62 E N 0.706 121.019 120.200 0.189 0.000 2.465 62 E HA 0.059 4.409 4.350 -0.000 0.000 0.260 62 E C -0.685 176.025 176.600 0.182 0.000 0.980 62 E CA 0.761 57.221 56.400 0.101 0.000 0.927 62 E CB 0.525 30.276 29.700 0.084 0.000 0.934 62 E HN 0.445 nan 8.360 nan 0.000 0.459 63 D N 1.283 121.626 120.400 -0.094 0.000 2.714 63 D HA 0.388 5.028 4.640 -0.000 0.000 0.278 63 D C -1.301 174.602 176.300 -0.661 0.000 1.102 63 D CA -0.636 53.238 54.000 -0.210 0.000 1.108 63 D CB 1.418 42.154 40.800 -0.106 0.000 1.444 63 D HN 0.272 nan 8.370 nan 0.000 0.568 64 N N 0.701 118.924 118.700 -0.794 0.000 2.493 64 N HA 0.054 4.794 4.740 -0.000 0.000 0.279 64 N C 0.718 175.965 175.510 -0.438 0.000 1.082 64 N CA -0.662 51.858 53.050 -0.884 0.000 0.963 64 N CB 0.713 38.106 38.487 -1.822 0.000 1.627 64 N HN 0.633 nan 8.380 nan 0.000 0.499 65 W N 3.505 124.700 121.300 -0.175 0.000 2.350 65 W HA -0.046 4.614 4.660 -0.000 0.000 0.289 65 W C 0.524 177.109 176.519 0.110 0.000 1.215 65 W CA 0.781 58.133 57.345 0.013 0.000 1.236 65 W CB -0.357 29.104 29.460 0.002 0.000 1.130 65 W HN 0.577 nan 8.180 nan 0.000 0.541 66 E N 0.170 119.856 120.200 -0.856 0.000 2.153 66 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 66 E C 1.950 178.648 176.600 0.162 0.000 0.988 66 E CA 1.759 57.868 56.400 -0.486 0.000 0.811 66 E CB -0.570 28.837 29.700 -0.489 0.000 0.746 66 E HN 0.208 nan 8.360 nan 0.000 0.466 67 W N 0.581 121.739 121.300 -0.237 0.000 2.358 67 W HA -0.148 4.512 4.660 -0.000 0.000 0.303 67 W C 2.125 178.699 176.519 0.091 0.000 1.208 67 W CA 0.988 58.178 57.345 -0.257 0.000 1.274 67 W CB -1.375 27.890 29.460 -0.324 0.000 1.138 67 W HN 0.341 nan 8.180 nan 0.000 0.515 68 H N -0.720 118.509 119.070 0.264 0.000 2.357 68 H HA -0.155 4.401 4.556 -0.000 0.000 0.301 68 H C 2.353 177.831 175.328 0.250 0.000 1.082 68 H CA 1.573 57.762 56.048 0.235 0.000 1.342 68 H CB -0.137 29.749 29.762 0.207 0.000 1.389 68 H HN -0.010 nan 8.280 nan 0.000 0.511 69 M N 0.140 119.911 119.600 0.285 0.000 2.065 69 M HA -0.277 4.203 4.480 -0.000 0.000 0.259 69 M C 2.242 178.658 176.300 0.192 0.000 1.069 69 M CA 2.001 57.470 55.300 0.283 0.000 1.110 69 M CB -0.412 32.506 32.600 0.530 0.000 1.328 69 M HN 0.394 nan 8.290 nan 0.000 0.405 70 Y N 1.320 121.604 120.300 -0.026 0.000 2.114 70 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 70 Y C 1.906 177.682 175.900 -0.207 0.000 1.165 70 Y CA 2.391 60.190 58.100 -0.503 0.000 1.148 70 Y CB -0.481 37.802 38.460 -0.295 0.000 0.972 70 Y HN 0.362 nan 8.280 nan 0.000 0.504 71 D N -0.851 119.627 120.400 0.129 0.000 2.117 71 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 71 D C 2.133 178.437 176.300 0.007 0.000 0.987 71 D CA 2.038 56.107 54.000 0.115 0.000 0.829 71 D CB -0.468 40.492 40.800 0.267 0.000 0.961 71 D HN 0.412 nan 8.370 nan 0.000 0.460 72 T N 0.651 115.234 114.554 0.047 0.000 2.737 72 T HA -0.078 4.271 4.350 -0.000 0.000 0.265 72 T C 2.304 176.966 174.700 -0.065 0.000 1.038 72 T CA 0.706 62.826 62.100 0.033 0.000 1.144 72 T CB -0.348 68.537 68.868 0.028 0.000 0.866 72 T HN -0.043 nan 8.240 nan 0.000 0.434 73 V N 1.891 121.727 119.914 -0.130 0.000 2.261 73 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 73 V C 2.531 178.311 176.094 -0.524 0.000 1.047 73 V CA 2.030 64.212 62.300 -0.197 0.000 1.015 73 V CB -0.604 31.194 31.823 -0.041 0.000 0.642 73 V HN 0.472 nan 8.190 nan 0.000 0.446 74 K N 0.464 120.465 120.400 -0.666 0.000 2.063 74 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 74 K C 2.125 178.462 176.600 -0.437 0.000 1.048 74 K CA 1.952 57.769 56.287 -0.783 0.000 0.928 74 K CB -0.758 31.334 32.500 -0.680 0.000 0.713 74 K HN 0.453 nan 8.250 nan 0.000 0.442 75 G N 0.352 109.043 108.800 -0.182 0.000 2.422 75 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 75 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 75 G C 1.460 176.346 174.900 -0.024 0.000 1.146 75 G CA 1.054 46.164 45.100 0.017 0.000 0.769 75 G HN 0.517 nan 8.290 nan 0.000 0.547 76 S N 0.096 115.745 115.700 -0.086 0.000 2.603 76 S HA -0.014 4.455 4.470 -0.000 0.000 0.229 76 S C 1.082 175.629 174.600 -0.089 0.000 0.972 76 S CA 1.069 59.242 58.200 -0.044 0.000 0.935 76 S CB -0.213 62.975 63.200 -0.019 0.000 0.769 76 S HN 0.323 nan 8.310 nan 0.000 0.536 77 D N 0.300 120.575 120.400 -0.208 0.000 2.751 77 D HA -0.264 4.376 4.640 -0.000 0.000 0.233 77 D C -0.460 175.830 176.300 -0.017 0.000 1.149 77 D CA 1.109 55.027 54.000 -0.137 0.000 0.682 77 D CB -1.923 38.900 40.800 0.038 0.000 1.068 77 D HN 0.680 nan 8.370 nan 0.000 0.429 78 Y N -3.819 116.492 120.300 0.018 0.000 4.841 78 Y HA -0.344 4.206 4.550 -0.000 0.000 0.242 78 Y C 1.618 177.521 175.900 0.005 0.000 1.002 78 Y CA 1.189 59.300 58.100 0.018 0.000 2.011 78 Y CB -2.404 36.065 38.460 0.016 0.000 1.554 78 Y HN 0.491 nan 8.280 nan 0.000 0.618 79 I N -2.277 118.330 120.570 0.062 0.000 4.025 79 I HA 0.556 4.726 4.170 -0.000 0.000 0.336 79 I C 1.270 177.398 176.117 0.019 0.000 1.390 79 I CA 0.113 61.394 61.300 -0.031 0.000 1.099 79 I CB 0.290 38.230 38.000 -0.099 0.000 1.049 79 I HN 0.131 nan 8.210 nan 0.000 0.394 80 G N 1.628 110.466 108.800 0.064 0.000 2.406 80 G HA2 0.126 4.086 3.960 -0.000 0.000 0.251 80 G HA3 0.126 4.086 3.960 -0.000 0.000 0.251 80 G C -0.608 174.365 174.900 0.123 0.000 1.271 80 G CA -0.283 44.875 45.100 0.097 0.000 0.859 80 G HN 0.255 nan 8.290 nan 0.000 0.540 81 D N 2.148 122.635 120.400 0.145 0.000 2.339 81 D HA 0.039 4.679 4.640 -0.000 0.000 0.256 81 D C 1.342 177.717 176.300 0.125 0.000 1.214 81 D CA 0.188 54.273 54.000 0.141 0.000 0.877 81 D CB 1.721 42.594 40.800 0.121 0.000 1.111 81 D HN 0.498 nan 8.370 nan 0.000 0.478 82 Q N 1.497 121.382 119.800 0.141 0.000 2.119 82 Q HA -0.154 4.186 4.340 -0.000 0.000 0.201 82 Q C 1.466 177.567 176.000 0.168 0.000 0.972 82 Q CA 1.054 56.961 55.803 0.172 0.000 0.847 82 Q CB 0.175 29.024 28.738 0.185 0.000 0.903 82 Q HN 0.545 nan 8.270 nan 0.000 0.433 83 D N 0.692 121.170 120.400 0.130 0.000 2.117 83 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 83 D C 1.717 178.115 176.300 0.164 0.000 0.987 83 D CA 1.527 55.604 54.000 0.128 0.000 0.829 83 D CB -0.388 40.461 40.800 0.080 0.000 0.961 83 D HN 0.162 nan 8.370 nan 0.000 0.460 84 A N 0.780 123.685 122.820 0.142 0.000 1.902 84 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 84 A C 2.596 180.361 177.584 0.301 0.000 1.181 84 A CA 1.285 53.443 52.037 0.200 0.000 0.623 84 A CB -0.812 18.220 19.000 0.052 0.000 0.818 84 A HN 0.299 nan 8.150 nan 0.000 0.443 85 I N -0.509 120.185 120.570 0.206 0.000 2.226 85 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 85 I C 2.560 178.803 176.117 0.210 0.000 1.100 85 I CA 1.771 63.183 61.300 0.186 0.000 1.374 85 I CB -0.367 37.724 38.000 0.151 0.000 1.057 85 I HN 0.587 nan 8.210 nan 0.000 0.413 86 E N 0.930 121.283 120.200 0.255 0.000 2.049 86 E HA -0.337 4.012 4.350 -0.000 0.000 0.198 86 E C 2.353 178.986 176.600 0.056 0.000 1.007 86 E CA 1.866 58.426 56.400 0.267 0.000 0.809 86 E CB -0.405 29.462 29.700 0.279 0.000 0.749 86 E HN 0.506 nan 8.360 nan 0.000 0.450 87 Y N 0.779 121.078 120.300 -0.003 0.000 2.165 87 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 87 Y C 2.413 178.229 175.900 -0.140 0.000 1.155 87 Y CA 2.410 60.466 58.100 -0.075 0.000 1.164 87 Y CB -0.216 38.259 38.460 0.025 0.000 0.978 87 Y HN 0.144 nan 8.280 nan 0.000 0.513 88 M N -1.084 118.533 119.600 0.028 0.000 2.099 88 M HA -0.212 4.268 4.480 -0.000 0.000 0.262 88 M C 2.134 178.340 176.300 -0.156 0.000 1.067 88 M CA 2.223 57.447 55.300 -0.127 0.000 1.124 88 M CB -0.563 32.102 32.600 0.109 0.000 1.353 88 M HN 0.437 nan 8.290 nan 0.000 0.410 89 C N 0.619 119.873 119.300 -0.076 0.000 2.425 89 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 89 C C 2.647 177.602 174.990 -0.058 0.000 1.280 89 C CA 1.327 60.350 59.018 0.009 0.000 1.744 89 C CB -1.118 26.692 27.740 0.117 0.000 1.989 89 C HN 0.604 nan 8.230 nan 0.000 0.491 90 K N 1.141 121.282 120.400 -0.432 0.000 2.062 90 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 90 K C 1.771 178.023 176.600 -0.580 0.000 1.051 90 K CA 1.918 57.660 56.287 -0.908 0.000 0.941 90 K CB -0.582 31.068 32.500 -1.417 0.000 0.719 90 K HN 0.357 nan 8.250 nan 0.000 0.440 91 T N -0.120 114.095 114.554 -0.566 0.000 3.023 91 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 91 T C 1.637 176.142 174.700 -0.325 0.000 1.093 91 T CA 0.785 62.580 62.100 -0.510 0.000 1.129 91 T CB -0.414 67.970 68.868 -0.807 0.000 0.899 91 T HN 0.497 nan 8.240 nan 0.000 0.491 92 G N 2.767 111.418 108.800 -0.248 0.000 2.553 92 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 92 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 92 G C -0.703 174.125 174.900 -0.119 0.000 1.195 92 G CA 0.851 45.872 45.100 -0.133 0.000 0.779 92 G HN 0.386 nan 8.290 nan 0.000 0.577 93 P HA -0.121 nan 4.420 nan 0.000 0.215 93 P C 1.715 178.931 177.300 -0.140 0.000 1.163 93 P CA 1.736 64.766 63.100 -0.117 0.000 0.894 93 P CB -0.085 31.555 31.700 -0.100 0.000 0.791 94 E N -0.419 119.689 120.200 -0.154 0.000 2.077 94 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 94 E C 1.883 178.392 176.600 -0.152 0.000 0.989 94 E CA 1.332 57.638 56.400 -0.157 0.000 0.800 94 E CB -0.551 29.055 29.700 -0.156 0.000 0.746 94 E HN 0.068 nan 8.360 nan 0.000 0.452 95 A N 0.969 123.702 122.820 -0.146 0.000 1.969 95 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 95 A C 2.047 179.583 177.584 -0.080 0.000 1.169 95 A CA 1.070 53.037 52.037 -0.116 0.000 0.635 95 A CB -0.283 18.642 19.000 -0.126 0.000 0.810 95 A HN 0.313 nan 8.150 nan 0.000 0.445 96 I N -0.268 120.255 120.570 -0.078 0.000 2.400 96 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 96 I C 2.363 178.450 176.117 -0.050 0.000 1.109 96 I CA 0.741 62.024 61.300 -0.028 0.000 1.425 96 I CB -1.435 36.538 38.000 -0.044 0.000 1.094 96 I HN 0.258 nan 8.210 nan 0.000 0.425 97 L N 0.771 121.907 121.223 -0.146 0.000 2.079 97 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 97 L C 2.528 179.199 176.870 -0.332 0.000 1.081 97 L CA 1.685 56.385 54.840 -0.233 0.000 0.752 97 L CB -0.572 41.316 42.059 -0.286 0.000 0.896 97 L HN 0.360 nan 8.230 nan 0.000 0.433 98 E N 0.752 120.802 120.200 -0.250 0.000 2.204 98 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 98 E C 2.246 178.831 176.600 -0.024 0.000 0.989 98 E CA 0.832 57.122 56.400 -0.184 0.000 0.824 98 E CB -0.077 29.549 29.700 -0.125 0.000 0.756 98 E HN 0.506 nan 8.360 nan 0.000 0.477 99 L N 0.964 122.204 121.223 0.029 0.000 2.056 99 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 99 L C 2.890 179.858 176.870 0.163 0.000 1.078 99 L CA 1.272 56.166 54.840 0.090 0.000 0.749 99 L CB -0.622 41.511 42.059 0.123 0.000 0.901 99 L HN 0.239 nan 8.230 nan 0.000 0.433 100 E N 0.339 120.703 120.200 0.273 0.000 2.110 100 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 100 E C 1.993 178.775 176.600 0.304 0.000 0.988 100 E CA 1.512 58.124 56.400 0.354 0.000 0.804 100 E CB -0.106 29.804 29.700 0.350 0.000 0.745 100 E HN 0.639 nan 8.360 nan 0.000 0.458 101 H N -0.972 118.139 119.070 0.069 0.000 2.491 101 H HA 0.008 4.564 4.556 -0.000 0.000 0.290 101 H C 1.992 177.330 175.328 0.017 0.000 1.050 101 H CA 0.708 56.775 56.048 0.032 0.000 1.309 101 H CB 0.103 29.873 29.762 0.013 0.000 1.392 101 H HN 0.166 nan 8.280 nan 0.000 0.554 102 M N -0.530 119.153 119.600 0.138 0.000 2.619 102 M HA 0.019 4.499 4.480 -0.000 0.000 0.251 102 M C 1.428 177.750 176.300 0.037 0.000 1.106 102 M CA 0.966 56.301 55.300 0.058 0.000 1.086 102 M CB 0.794 33.411 32.600 0.029 0.000 1.465 102 M HN 0.522 nan 8.290 nan 0.000 0.506 103 G N 0.883 109.718 108.800 0.059 0.000 2.184 103 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 103 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 103 G C -0.000 174.904 174.900 0.006 0.000 0.995 103 G CA -0.565 44.555 45.100 0.034 0.000 0.651 103 G HN 0.382 nan 8.290 nan 0.000 0.511 104 L N 2.842 124.051 121.223 -0.024 0.000 2.667 104 L HA 0.264 4.604 4.340 -0.000 0.000 0.278 104 L C -1.210 175.552 176.870 -0.180 0.000 1.217 104 L CA -0.635 54.095 54.840 -0.183 0.000 0.935 104 L CB 0.609 42.435 42.059 -0.388 0.000 1.193 104 L HN 0.017 nan 8.230 nan 0.000 0.493 105 P HA 0.089 nan 4.420 nan 0.000 0.225 105 P C -0.568 176.697 177.300 -0.059 0.000 1.813 105 P CA -0.219 62.846 63.100 -0.057 0.000 1.013 105 P CB -0.325 31.359 31.700 -0.027 0.000 1.961 106 F N 0.578 120.554 119.950 0.045 0.000 2.589 106 F HA -0.000 4.526 4.527 -0.000 0.000 0.352 106 F C 1.696 177.529 175.800 0.055 0.000 1.168 106 F CA 0.831 58.864 58.000 0.054 0.000 1.353 106 F CB 0.067 39.098 39.000 0.051 0.000 1.116 106 F HN 0.099 nan 8.300 nan 0.000 0.608 107 S N 2.719 118.605 115.700 0.310 0.000 2.608 107 S HA 0.517 4.987 4.470 -0.000 0.000 0.261 107 S C -0.081 174.638 174.600 0.197 0.000 1.314 107 S CA -0.768 57.534 58.200 0.170 0.000 0.992 107 S CB 0.662 63.901 63.200 0.065 0.000 0.935 107 S HN 0.328 nan 8.310 nan 0.000 0.564 108 R N 0.520 121.079 120.500 0.098 0.000 2.673 108 R HA 0.464 4.803 4.340 -0.000 0.000 0.281 108 R C -0.872 175.483 176.300 0.092 0.000 0.991 108 R CA -0.577 55.584 56.100 0.103 0.000 0.896 108 R CB 0.890 31.230 30.300 0.066 0.000 1.201 108 R HN 0.516 nan 8.270 nan 0.000 0.457 109 L N 1.569 122.865 121.223 0.122 0.000 2.466 109 L HA 0.126 4.466 4.340 -0.000 0.000 0.257 109 L C 1.198 178.102 176.870 0.056 0.000 1.189 109 L CA -0.372 54.533 54.840 0.108 0.000 0.813 109 L CB 0.484 42.600 42.059 0.095 0.000 1.118 109 L HN 0.472 nan 8.230 nan 0.000 0.471 110 D N 0.425 120.852 120.400 0.046 0.000 2.265 110 D HA -0.175 4.465 4.640 -0.000 0.000 0.208 110 D C 1.200 177.515 176.300 0.024 0.000 0.977 110 D CA 1.244 55.261 54.000 0.028 0.000 0.871 110 D CB -0.157 40.658 40.800 0.026 0.000 0.925 110 D HN 0.624 nan 8.370 nan 0.000 0.485 111 D N -1.637 118.778 120.400 0.025 0.000 2.339 111 D HA 0.144 4.784 4.640 -0.000 0.000 0.217 111 D C 1.513 177.823 176.300 0.017 0.000 1.050 111 D CA 0.726 54.736 54.000 0.018 0.000 0.856 111 D CB 0.120 40.928 40.800 0.014 0.000 0.922 111 D HN 0.181 nan 8.370 nan 0.000 0.518 112 G N -0.118 108.696 108.800 0.023 0.000 2.184 112 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.206 112 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.206 112 G C 0.309 175.225 174.900 0.026 0.000 0.995 112 G CA -0.300 44.815 45.100 0.025 0.000 0.651 112 G HN 0.393 nan 8.290 nan 0.000 0.511 113 R N -0.235 120.275 120.500 0.018 0.000 2.543 113 R HA 0.608 4.948 4.340 -0.000 0.000 0.268 113 R C 0.748 177.047 176.300 -0.002 0.000 1.067 113 R CA -0.713 55.384 56.100 -0.005 0.000 1.142 113 R CB 0.767 31.052 30.300 -0.025 0.000 1.110 113 R HN 0.250 nan 8.270 nan 0.000 0.549 114 I N 2.328 122.856 120.570 -0.070 0.000 2.668 114 I HA -0.132 4.038 4.170 -0.000 0.000 0.285 114 I C 0.174 176.260 176.117 -0.052 0.000 1.168 114 I CA 0.293 61.522 61.300 -0.118 0.000 1.424 114 I CB -0.031 37.708 38.000 -0.434 0.000 1.377 114 I HN 0.438 nan 8.210 nan 0.000 0.560 115 Y N 7.598 127.859 120.300 -0.065 0.000 2.526 115 Y HA 0.135 4.684 4.550 -0.000 0.000 0.330 115 Y C -0.182 175.683 175.900 -0.057 0.000 1.156 115 Y CA -0.018 58.062 58.100 -0.033 0.000 1.419 115 Y CB 0.365 38.839 38.460 0.022 0.000 1.250 115 Y HN 0.497 nan 8.280 nan 0.000 0.540 116 Q N 6.670 126.044 119.800 -0.710 0.000 2.337 116 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 116 Q C -1.085 174.409 176.000 -0.844 0.000 1.043 116 Q CA -1.144 54.275 55.803 -0.641 0.000 0.794 116 Q CB 2.391 30.899 28.738 -0.384 0.000 1.281 116 Q HN 0.765 nan 8.270 nan 0.000 0.446 117 R N 0.755 120.910 120.500 -0.575 0.000 2.720 117 R HA 0.700 5.040 4.340 -0.000 0.000 0.272 117 R C -2.774 173.518 176.300 -0.015 0.000 0.991 117 R CA -2.192 53.752 56.100 -0.260 0.000 1.010 117 R CB 0.457 30.757 30.300 -0.000 0.000 1.141 117 R HN 0.189 nan 8.270 nan 0.000 0.494 118 P HA 0.113 nan 4.420 nan 0.000 0.269 118 P C -1.280 176.198 177.300 0.297 0.000 1.215 118 P CA 0.065 63.250 63.100 0.142 0.000 0.780 118 P CB 0.322 32.081 31.700 0.098 0.000 0.898 119 F N -0.590 119.354 119.950 -0.009 0.000 2.745 119 F HA 0.520 5.047 4.527 -0.000 0.000 0.316 119 F C 0.414 176.197 175.800 -0.029 0.000 1.155 119 F CA -0.497 57.494 58.000 -0.015 0.000 0.937 119 F CB 1.050 40.041 39.000 -0.015 0.000 1.361 119 F HN 0.300 nan 8.300 nan 0.000 0.472 120 G N 0.329 109.087 108.800 -0.071 0.000 2.432 120 G HA2 0.419 4.378 3.960 -0.000 0.000 0.239 120 G HA3 0.419 4.378 3.960 -0.000 0.000 0.239 120 G C 0.589 175.485 174.900 -0.007 0.000 1.291 120 G CA 0.296 45.334 45.100 -0.104 0.000 0.863 120 G HN 1.677 nan 8.290 nan 0.000 0.560 121 G N 0.764 109.531 108.800 -0.056 0.000 2.314 121 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.292 121 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.292 121 G C 0.070 175.059 174.900 0.149 0.000 1.059 121 G CA 0.394 45.533 45.100 0.065 0.000 0.982 121 G HN 0.880 nan 8.290 nan 0.000 0.505 122 Q N -0.114 119.764 119.800 0.130 0.000 2.290 122 Q HA 0.604 4.943 4.340 -0.000 0.000 0.269 122 Q C -0.131 175.926 176.000 0.096 0.000 1.016 122 Q CA -0.174 55.708 55.803 0.132 0.000 0.754 122 Q CB 2.198 31.008 28.738 0.121 0.000 1.247 122 Q HN 0.718 nan 8.270 nan 0.000 0.451 123 S N 1.647 117.395 115.700 0.080 0.000 2.632 123 S HA 0.666 5.136 4.470 -0.000 0.000 0.289 123 S C -0.789 173.711 174.600 -0.167 0.000 1.115 123 S CA -1.031 57.145 58.200 -0.041 0.000 0.889 123 S CB 2.122 65.297 63.200 -0.041 0.000 1.116 123 S HN 0.406 nan 8.310 nan 0.000 0.486 124 K N 0.789 120.956 120.400 -0.388 0.000 2.118 124 K HA 0.468 4.788 4.320 -0.000 0.000 0.254 124 K C -0.658 175.157 176.600 -1.309 0.000 0.961 124 K CA -0.772 54.984 56.287 -0.884 0.000 0.876 124 K CB 0.461 32.542 32.500 -0.699 0.000 1.077 124 K HN 0.797 nan 8.250 nan 0.000 0.440 125 N N 1.382 118.530 118.700 -2.587 0.000 2.725 125 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 125 N C -1.305 173.641 175.510 -0.940 0.000 1.031 125 N CA 0.561 52.621 53.050 -1.651 0.000 0.720 125 N CB -1.668 36.364 38.487 -0.759 0.000 0.930 125 N HN 0.615 nan 8.380 nan 0.000 0.543 126 F N -1.713 117.667 119.950 -0.949 0.000 2.695 126 F HA -0.118 4.409 4.527 -0.000 0.000 0.305 126 F C 1.455 176.627 175.800 -1.046 0.000 1.044 126 F CA 1.083 58.398 58.000 -1.142 0.000 1.049 126 F CB -1.767 36.720 39.000 -0.855 0.000 1.267 126 F HN 0.566 nan 8.300 nan 0.000 0.828 127 G N -0.703 107.776 108.800 -0.534 0.000 2.132 127 G HA2 0.098 4.058 3.960 -0.000 0.000 0.234 127 G HA3 0.098 4.058 3.960 -0.000 0.000 0.234 127 G C 0.798 175.616 174.900 -0.135 0.000 0.989 127 G CA 0.058 45.081 45.100 -0.127 0.000 0.676 127 G HN 1.415 nan 8.290 nan 0.000 0.522 128 G N -0.530 108.123 108.800 -0.245 0.000 2.975 128 G HA2 0.539 4.499 3.960 -0.000 0.000 0.159 128 G HA3 0.539 4.499 3.960 -0.000 0.000 0.159 128 G C 0.290 175.088 174.900 -0.170 0.000 1.525 128 G CA 0.356 45.330 45.100 -0.210 0.000 1.075 128 G HN 0.741 nan 8.290 nan 0.000 0.574 129 E N 0.014 120.096 120.200 -0.196 0.000 2.418 129 E HA 0.130 4.480 4.350 -0.000 0.000 0.261 129 E C 0.087 176.603 176.600 -0.140 0.000 1.070 129 E CA -0.347 55.964 56.400 -0.149 0.000 0.931 129 E CB 0.504 30.108 29.700 -0.160 0.000 0.954 129 E HN 0.266 nan 8.360 nan 0.000 0.439 130 Q N 1.822 121.572 119.800 -0.083 0.000 2.304 130 Q HA 0.135 4.475 4.340 -0.000 0.000 0.301 130 Q C -1.243 174.715 176.000 -0.070 0.000 1.063 130 Q CA 0.590 56.366 55.803 -0.044 0.000 0.947 130 Q CB 0.896 29.626 28.738 -0.014 0.000 1.201 130 Q HN 0.529 nan 8.270 nan 0.000 0.389 131 A N 3.088 125.908 122.820 -0.000 0.000 2.261 131 A HA 0.882 5.202 4.320 -0.000 0.000 0.323 131 A C -0.961 176.742 177.584 0.199 0.000 1.107 131 A CA -0.232 51.864 52.037 0.098 0.000 0.883 131 A CB 1.233 20.345 19.000 0.187 0.000 1.251 131 A HN 1.027 nan 8.150 nan 0.000 0.502 132 A N 0.265 123.317 122.820 0.387 0.000 2.745 132 A HA 0.570 4.890 4.320 -0.000 0.000 0.301 132 A C 0.049 177.605 177.584 -0.045 0.000 1.188 132 A CA -0.324 51.790 52.037 0.128 0.000 0.746 132 A CB 0.136 19.193 19.000 0.095 0.000 1.207 132 A HN 1.077 nan 8.150 nan 0.000 0.432 133 R N 0.185 120.637 120.500 -0.080 0.000 2.566 133 R HA 0.214 4.554 4.340 -0.000 0.000 0.388 133 R C -0.806 175.354 176.300 -0.233 0.000 0.989 133 R CA 0.018 56.005 56.100 -0.187 0.000 1.164 133 R CB 0.199 30.396 30.300 -0.172 0.000 1.459 133 R HN 0.286 nan 8.270 nan 0.000 0.553 134 T N 1.768 116.180 114.554 -0.237 0.000 2.747 134 T HA 0.480 4.830 4.350 -0.000 0.000 0.301 134 T C 0.059 174.601 174.700 -0.263 0.000 0.952 134 T CA -0.252 61.653 62.100 -0.325 0.000 0.983 134 T CB 1.204 69.714 68.868 -0.597 0.000 0.930 134 T HN 0.381 nan 8.240 nan 0.000 0.494 135 A N 3.265 125.965 122.820 -0.199 0.000 2.409 135 A HA 0.725 5.045 4.320 -0.000 0.000 0.262 135 A C 0.410 178.068 177.584 0.125 0.000 1.113 135 A CA -0.572 51.392 52.037 -0.122 0.000 0.790 135 A CB 0.098 18.943 19.000 -0.257 0.000 1.046 135 A HN 1.000 nan 8.150 nan 0.000 0.496 136 A N 1.407 124.394 122.820 0.278 0.000 2.498 136 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 136 A C -0.204 177.617 177.584 0.395 0.000 1.075 136 A CA -0.009 52.223 52.037 0.325 0.000 0.714 136 A CB 1.470 20.639 19.000 0.281 0.000 1.299 136 A HN 2.205 nan 8.150 nan 0.000 0.407 137 A N 1.302 124.243 122.820 0.201 0.000 2.508 137 A HA 0.746 5.066 4.320 -0.000 0.000 0.336 137 A C 0.883 178.521 177.584 0.091 0.000 1.360 137 A CA 0.726 52.829 52.037 0.110 0.000 0.841 137 A CB -0.950 18.041 19.000 -0.014 0.000 1.136 137 A HN 2.837 nan 8.150 nan 0.000 0.489 138 A N 2.273 125.148 122.820 0.091 0.000 5.391 138 A HA -0.266 4.054 4.320 -0.000 0.000 0.315 138 A C 0.750 178.391 177.584 0.096 0.000 1.874 138 A CA 1.808 53.880 52.037 0.058 0.000 0.714 138 A CB -1.377 17.633 19.000 0.016 0.000 1.335 138 A HN 1.575 nan 8.150 nan 0.000 0.382 139 D N -0.379 120.063 120.400 0.070 0.000 2.788 139 D HA 0.400 5.040 4.640 -0.000 0.000 0.289 139 D C 0.409 176.748 176.300 0.065 0.000 1.340 139 D CA 0.005 54.057 54.000 0.087 0.000 0.831 139 D CB -0.242 40.608 40.800 0.083 0.000 1.103 139 D HN 0.604 nan 8.370 nan 0.000 0.476 140 R N -0.385 120.152 120.500 0.061 0.000 2.690 140 R HA 0.212 4.552 4.340 -0.000 0.000 0.419 140 R C 0.573 176.929 176.300 0.094 0.000 1.090 140 R CA -0.175 55.965 56.100 0.066 0.000 1.064 140 R CB 0.367 30.681 30.300 0.023 0.000 1.391 140 R HN -0.030 nan 8.270 nan 0.000 0.586 141 T N -0.073 114.523 114.554 0.069 0.000 2.788 141 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 141 T C 2.012 176.723 174.700 0.020 0.000 1.044 141 T CA 1.757 63.876 62.100 0.032 0.000 1.139 141 T CB -0.045 68.849 68.868 0.044 0.000 0.867 141 T HN 0.546 nan 8.240 nan 0.000 0.454 142 G N 0.734 109.561 108.800 0.045 0.000 2.421 142 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 142 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 142 G C 1.234 176.164 174.900 0.051 0.000 1.171 142 G CA 1.253 46.369 45.100 0.027 0.000 0.775 142 G HN 0.642 nan 8.290 nan 0.000 0.543 143 H N 1.169 120.255 119.070 0.027 0.000 2.289 143 H HA 0.010 4.566 4.556 -0.000 0.000 0.296 143 H C 2.700 178.103 175.328 0.125 0.000 1.091 143 H CA 2.460 58.572 56.048 0.106 0.000 1.274 143 H CB -0.362 29.447 29.762 0.078 0.000 1.364 143 H HN 0.284 nan 8.280 nan 0.000 0.490 144 A N 0.585 123.434 122.820 0.048 0.000 1.908 144 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 144 A C 2.467 179.981 177.584 -0.116 0.000 1.181 144 A CA 1.709 53.710 52.037 -0.061 0.000 0.627 144 A CB -1.026 17.924 19.000 -0.083 0.000 0.818 144 A HN 0.524 nan 8.150 nan 0.000 0.445 145 L N -0.942 120.216 121.223 -0.108 0.000 1.994 145 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 145 L C 2.251 179.076 176.870 -0.074 0.000 1.071 145 L CA 2.128 56.910 54.840 -0.098 0.000 0.745 145 L CB -0.637 41.384 42.059 -0.065 0.000 0.892 145 L HN 0.310 nan 8.230 nan 0.000 0.431 146 L N -0.803 120.369 121.223 -0.085 0.000 2.046 146 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 146 L C 2.634 179.402 176.870 -0.170 0.000 1.077 146 L CA 1.804 56.567 54.840 -0.129 0.000 0.747 146 L CB -0.925 41.030 42.059 -0.172 0.000 0.896 146 L HN 0.426 nan 8.230 nan 0.000 0.432 147 H N -1.489 117.490 119.070 -0.152 0.000 2.389 147 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 147 H C 1.994 177.311 175.328 -0.019 0.000 1.081 147 H CA 1.824 57.818 56.048 -0.091 0.000 1.345 147 H CB -0.177 29.451 29.762 -0.223 0.000 1.393 147 H HN 0.370 nan 8.280 nan 0.000 0.520 148 T N 1.487 116.060 114.554 0.032 0.000 2.708 148 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 148 T C 2.424 177.119 174.700 -0.009 0.000 1.037 148 T CA 0.748 62.849 62.100 -0.000 0.000 1.146 148 T CB -0.315 68.527 68.868 -0.044 0.000 0.865 148 T HN 0.186 nan 8.240 nan 0.000 0.435 149 L N -0.398 120.815 121.223 -0.017 0.000 2.083 149 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 149 L C 2.387 179.249 176.870 -0.013 0.000 1.083 149 L CA 1.359 56.186 54.840 -0.023 0.000 0.752 149 L CB -0.544 41.501 42.059 -0.024 0.000 0.899 149 L HN 0.272 nan 8.230 nan 0.000 0.433 150 Y N 1.017 121.244 120.300 -0.121 0.000 2.200 150 Y HA -0.274 4.276 4.550 -0.000 0.000 0.290 150 Y C 2.665 178.520 175.900 -0.075 0.000 1.137 150 Y CA 1.566 59.587 58.100 -0.130 0.000 1.163 150 Y CB -0.247 38.099 38.460 -0.189 0.000 0.988 150 Y HN 0.177 nan 8.280 nan 0.000 0.518 151 Q N -0.485 119.259 119.800 -0.094 0.000 2.096 151 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 151 Q C 2.205 178.089 176.000 -0.192 0.000 0.982 151 Q CA 1.706 57.421 55.803 -0.147 0.000 0.850 151 Q CB -0.165 28.560 28.738 -0.022 0.000 0.901 151 Q HN 0.503 nan 8.270 nan 0.000 0.422 152 Q N 0.318 120.034 119.800 -0.139 0.000 2.124 152 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 152 Q C 1.714 177.605 176.000 -0.182 0.000 0.977 152 Q CA 0.935 56.658 55.803 -0.133 0.000 0.850 152 Q CB -0.337 28.351 28.738 -0.083 0.000 0.901 152 Q HN 0.461 nan 8.270 nan 0.000 0.429 153 N N 0.587 119.160 118.700 -0.213 0.000 2.166 153 N HA -0.096 4.643 4.740 -0.000 0.000 0.186 153 N C 2.029 177.358 175.510 -0.303 0.000 1.019 153 N CA 0.766 53.676 53.050 -0.233 0.000 0.856 153 N CB -0.092 38.272 38.487 -0.205 0.000 0.993 153 N HN 0.241 nan 8.380 nan 0.000 0.426 154 L N 1.304 122.271 121.223 -0.426 0.000 2.017 154 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 154 L C 2.584 179.251 176.870 -0.338 0.000 1.073 154 L CA 1.252 55.878 54.840 -0.356 0.000 0.745 154 L CB -0.424 41.414 42.059 -0.368 0.000 0.894 154 L HN 0.150 nan 8.230 nan 0.000 0.432 155 K N 0.415 120.627 120.400 -0.314 0.000 2.147 155 K HA -0.230 4.090 4.320 -0.000 0.000 0.205 155 K C 1.781 178.077 176.600 -0.507 0.000 1.049 155 K CA 1.619 57.698 56.287 -0.346 0.000 0.936 155 K CB -0.139 32.237 32.500 -0.207 0.000 0.722 155 K HN 0.337 nan 8.250 nan 0.000 0.446 156 N N -0.288 118.194 118.700 -0.363 0.000 2.398 156 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 156 N C -0.639 174.758 175.510 -0.189 0.000 1.122 156 N CA 0.241 53.137 53.050 -0.257 0.000 0.866 156 N CB 0.166 38.570 38.487 -0.138 0.000 0.970 156 N HN 0.275 nan 8.380 nan 0.000 0.462 157 H N -0.442 118.585 119.070 -0.072 0.000 2.791 157 H HA -0.116 4.439 4.556 -0.000 0.000 0.302 157 H C -0.445 174.850 175.328 -0.055 0.000 1.198 157 H CA 0.996 57.007 56.048 -0.061 0.000 1.145 157 H CB -2.577 27.162 29.762 -0.038 0.000 1.385 157 H HN 0.182 nan 8.280 nan 0.000 0.409 158 T N 1.406 115.955 114.554 -0.009 0.000 2.934 158 T HA 0.075 4.425 4.350 -0.000 0.000 0.306 158 T C 1.016 175.703 174.700 -0.023 0.000 1.042 158 T CA 0.493 62.579 62.100 -0.023 0.000 1.145 158 T CB 0.650 69.477 68.868 -0.068 0.000 0.982 158 T HN 0.251 nan 8.240 nan 0.000 0.544 159 T N 5.041 119.586 114.554 -0.014 0.000 2.738 159 T HA 0.341 4.691 4.350 -0.000 0.000 0.294 159 T C 0.359 174.986 174.700 -0.122 0.000 0.914 159 T CA -0.137 61.931 62.100 -0.053 0.000 1.052 159 T CB -0.378 68.533 68.868 0.072 0.000 0.897 159 T HN 0.359 nan 8.240 nan 0.000 0.522 160 I N 3.556 124.002 120.570 -0.207 0.000 2.404 160 I HA 0.400 4.570 4.170 -0.000 0.000 0.293 160 I C -0.648 175.264 176.117 -0.340 0.000 0.992 160 I CA -0.864 60.345 61.300 -0.152 0.000 1.149 160 I CB 1.536 39.505 38.000 -0.052 0.000 1.315 160 I HN 0.523 nan 8.210 nan 0.000 0.446 161 F N 4.322 124.186 119.950 -0.144 0.000 2.307 161 F HA 0.254 4.781 4.527 -0.000 0.000 0.369 161 F C 0.738 176.612 175.800 0.124 0.000 1.076 161 F CA -0.388 57.514 58.000 -0.162 0.000 1.149 161 F CB 1.338 39.931 39.000 -0.679 0.000 1.410 161 F HN 0.334 nan 8.300 nan 0.000 0.481 162 S N 2.503 118.423 115.700 0.366 0.000 2.499 162 S HA 0.268 4.737 4.470 -0.000 0.000 0.279 162 S C 0.247 175.114 174.600 0.445 0.000 1.219 162 S CA -0.219 58.179 58.200 0.329 0.000 1.062 162 S CB 0.249 63.616 63.200 0.279 0.000 0.978 162 S HN 0.756 nan 8.310 nan 0.000 0.489 163 E N 1.756 122.150 120.200 0.324 0.000 2.340 163 E HA -0.189 4.161 4.350 -0.000 0.000 0.240 163 E C -1.588 175.097 176.600 0.141 0.000 1.154 163 E CA 0.592 57.120 56.400 0.212 0.000 0.717 163 E CB -1.355 28.452 29.700 0.179 0.000 1.250 163 E HN 0.590 nan 8.360 nan 0.000 0.386 164 W N 0.564 121.917 121.300 0.089 0.000 2.573 164 W HA 0.480 5.140 4.660 -0.000 0.000 0.326 164 W C -0.076 176.474 176.519 0.052 0.000 1.049 164 W CA -0.657 56.740 57.345 0.086 0.000 1.220 164 W CB 0.763 30.276 29.460 0.088 0.000 1.373 164 W HN 0.187 nan 8.180 nan 0.000 0.507 165 Y N 3.124 123.507 120.300 0.138 0.000 2.402 165 Y HA 0.637 5.187 4.550 -0.000 0.000 0.332 165 Y C 0.230 176.182 175.900 0.088 0.000 0.960 165 Y CA -1.150 56.984 58.100 0.055 0.000 1.228 165 Y CB 0.387 38.829 38.460 -0.031 0.000 1.120 165 Y HN 0.519 nan 8.280 nan 0.000 0.491 166 A N 6.883 129.522 122.820 -0.301 0.000 2.524 166 A HA 0.227 4.547 4.320 -0.000 0.000 0.250 166 A C 0.208 177.649 177.584 -0.238 0.000 1.078 166 A CA 0.004 51.920 52.037 -0.203 0.000 0.761 166 A CB 0.155 19.024 19.000 -0.218 0.000 1.012 166 A HN 1.090 nan 8.150 nan 0.000 0.500 167 L N 1.375 122.620 121.223 0.036 0.000 2.185 167 L HA 0.254 4.594 4.340 -0.000 0.000 0.198 167 L C 0.180 177.102 176.870 0.087 0.000 1.079 167 L CA 0.612 55.537 54.840 0.141 0.000 0.780 167 L CB 0.041 42.212 42.059 0.187 0.000 0.955 167 L HN 0.597 nan 8.230 nan 0.000 0.462 168 D N -1.230 119.211 120.400 0.069 0.000 2.706 168 D HA 0.350 4.990 4.640 -0.000 0.000 0.225 168 D C -1.030 175.299 176.300 0.048 0.000 1.241 168 D CA -0.484 53.547 54.000 0.052 0.000 0.784 168 D CB 2.477 43.312 40.800 0.058 0.000 1.521 168 D HN -0.148 nan 8.370 nan 0.000 0.461 169 L N 0.706 121.950 121.223 0.036 0.000 2.483 169 L HA 0.215 4.554 4.340 -0.000 0.000 0.276 169 L C 0.193 177.082 176.870 0.032 0.000 1.213 169 L CA -0.250 54.615 54.840 0.043 0.000 0.843 169 L CB 0.402 42.480 42.059 0.032 0.000 1.107 169 L HN 0.039 nan 8.230 nan 0.000 0.487 170 V N 3.111 123.051 119.914 0.044 0.000 2.398 170 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 170 V C 0.112 176.212 176.094 0.010 0.000 1.026 170 V CA -0.731 61.559 62.300 -0.017 0.000 0.868 170 V CB 1.449 33.197 31.823 -0.126 0.000 0.982 170 V HN 0.642 nan 8.190 nan 0.000 0.443 171 K N 3.355 123.747 120.400 -0.013 0.000 2.156 171 K HA 0.493 4.812 4.320 -0.000 0.000 0.254 171 K C -0.312 176.283 176.600 -0.009 0.000 0.950 171 K CA -0.740 55.547 56.287 -0.001 0.000 0.849 171 K CB 1.621 34.117 32.500 -0.006 0.000 1.100 171 K HN 0.859 nan 8.250 nan 0.000 0.434 172 N N 0.201 118.905 118.700 0.006 0.000 2.491 172 N HA -0.031 4.709 4.740 -0.000 0.000 0.279 172 N C 0.665 176.173 175.510 -0.003 0.000 1.236 172 N CA -0.398 52.655 53.050 0.004 0.000 0.982 172 N CB 0.328 38.828 38.487 0.022 0.000 1.194 172 N HN 0.597 nan 8.380 nan 0.000 0.582 173 Q N -1.372 118.426 119.800 -0.003 0.000 2.291 173 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 173 Q C -0.289 175.708 176.000 -0.006 0.000 0.976 173 Q CA 1.514 57.314 55.803 -0.006 0.000 0.875 173 Q CB -0.304 28.430 28.738 -0.005 0.000 0.927 173 Q HN 0.556 nan 8.270 nan 0.000 0.450 174 D N 0.198 120.596 120.400 -0.002 0.000 2.355 174 D HA 0.070 4.709 4.640 -0.000 0.000 0.218 174 D C 0.976 177.272 176.300 -0.008 0.000 1.004 174 D CA 1.017 55.015 54.000 -0.004 0.000 0.880 174 D CB 0.659 41.459 40.800 -0.000 0.000 0.911 174 D HN 0.564 nan 8.370 nan 0.000 0.528 175 G N 0.721 109.516 108.800 -0.008 0.000 2.157 175 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 175 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 175 G C 0.474 175.368 174.900 -0.009 0.000 0.982 175 G CA 0.111 45.203 45.100 -0.012 0.000 0.650 175 G HN 0.589 nan 8.290 nan 0.000 0.527 176 A N -0.038 122.782 122.820 0.001 0.000 2.354 176 A HA 0.710 5.030 4.320 -0.000 0.000 0.269 176 A C 0.623 178.222 177.584 0.025 0.000 1.109 176 A CA 0.060 52.103 52.037 0.010 0.000 0.800 176 A CB 1.105 20.117 19.000 0.021 0.000 1.045 176 A HN 1.118 nan 8.150 nan 0.000 0.489 177 V N 3.145 123.078 119.914 0.031 0.000 2.488 177 V HA 0.231 4.351 4.120 -0.000 0.000 0.277 177 V C 0.897 177.048 176.094 0.094 0.000 1.046 177 V CA 0.524 62.857 62.300 0.055 0.000 0.986 177 V CB 1.168 33.022 31.823 0.051 0.000 0.989 177 V HN 0.977 nan 8.190 nan 0.000 0.475 178 V N 2.093 122.081 119.914 0.124 0.000 3.070 178 V HA 0.868 4.988 4.120 -0.000 0.000 0.345 178 V C 0.563 176.813 176.094 0.260 0.000 1.403 178 V CA 0.435 62.839 62.300 0.173 0.000 1.155 178 V CB -0.468 31.462 31.823 0.179 0.000 1.140 178 V HN 1.273 nan 8.190 nan 0.000 0.505 179 G N -0.273 108.666 108.800 0.231 0.000 2.280 179 G HA2 0.239 4.199 3.960 -0.000 0.000 0.277 179 G HA3 0.239 4.199 3.960 -0.000 0.000 0.277 179 G C -0.568 174.491 174.900 0.265 0.000 1.288 179 G CA 0.271 45.530 45.100 0.265 0.000 1.075 179 G HN 1.805 nan 8.290 nan 0.000 0.480 180 C N -1.651 117.845 119.300 0.326 0.000 3.170 180 C HA 0.926 5.385 4.460 -0.000 0.000 0.319 180 C C 0.353 175.549 174.990 0.342 0.000 1.260 180 C CA 0.268 59.426 59.018 0.232 0.000 1.374 180 C CB 1.085 28.887 27.740 0.103 0.000 1.739 180 C HN 2.004 nan 8.230 nan 0.000 0.479 181 T N 0.491 115.190 114.554 0.243 0.000 2.909 181 T HA 0.766 5.116 4.350 -0.000 0.000 0.289 181 T C -0.037 174.832 174.700 0.282 0.000 1.005 181 T CA 0.262 62.530 62.100 0.280 0.000 1.084 181 T CB 1.316 70.290 68.868 0.176 0.000 0.975 181 T HN 2.225 nan 8.240 nan 0.000 0.509 182 A N 1.956 125.016 122.820 0.400 0.000 2.539 182 A HA 0.727 5.046 4.320 -0.000 0.000 0.296 182 A C -1.331 176.538 177.584 0.476 0.000 1.073 182 A CA -1.004 51.290 52.037 0.429 0.000 0.700 182 A CB 1.679 20.963 19.000 0.475 0.000 1.296 182 A HN 0.995 nan 8.150 nan 0.000 0.405 183 L N 1.766 123.199 121.223 0.351 0.000 2.305 183 L HA 0.639 4.979 4.340 -0.000 0.000 0.284 183 L C -0.270 176.520 176.870 -0.133 0.000 1.013 183 L CA -0.404 54.511 54.840 0.125 0.000 0.819 183 L CB 1.127 43.235 42.059 0.082 0.000 1.227 183 L HN 0.853 nan 8.230 nan 0.000 0.417 184 C N 6.366 125.288 119.300 -0.631 0.000 2.555 184 C HA 0.288 4.747 4.460 -0.000 0.000 0.385 184 C C 1.840 176.424 174.990 -0.677 0.000 1.296 184 C CA -0.431 57.774 59.018 -1.355 0.000 1.757 184 C CB -1.361 25.373 27.740 -1.676 0.000 2.445 184 C HN 0.981 nan 8.230 nan 0.000 0.571 185 I N 3.507 123.725 120.570 -0.587 0.000 2.226 185 I HA -0.137 4.032 4.170 -0.000 0.000 0.245 185 I C 2.529 178.314 176.117 -0.553 0.000 1.100 185 I CA 1.589 62.542 61.300 -0.579 0.000 1.374 185 I CB -0.428 37.141 38.000 -0.718 0.000 1.057 185 I HN 0.831 nan 8.210 nan 0.000 0.413 186 E N 0.750 120.751 120.200 -0.332 0.000 2.058 186 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 186 E C 1.996 178.573 176.600 -0.038 0.000 0.997 186 E CA 2.228 58.630 56.400 0.003 0.000 0.801 186 E CB 0.088 29.854 29.700 0.111 0.000 0.746 186 E HN 0.577 nan 8.360 nan 0.000 0.450 187 T N -4.602 109.874 114.554 -0.129 0.000 2.990 187 T HA 0.321 4.671 4.350 -0.000 0.000 0.250 187 T C 1.426 176.069 174.700 -0.095 0.000 1.041 187 T CA 0.625 62.681 62.100 -0.074 0.000 1.010 187 T CB 0.859 69.696 68.868 -0.051 0.000 1.003 187 T HN 0.339 nan 8.240 nan 0.000 0.499 188 G N 1.604 110.303 108.800 -0.167 0.000 2.179 188 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 188 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 188 G C -0.130 174.712 174.900 -0.096 0.000 0.977 188 G CA 0.307 45.326 45.100 -0.134 0.000 0.641 188 G HN 0.906 nan 8.290 nan 0.000 0.533 189 E N 0.322 120.461 120.200 -0.103 0.000 2.384 189 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 189 E C 0.076 176.689 176.600 0.020 0.000 1.012 189 E CA -0.286 56.102 56.400 -0.019 0.000 0.901 189 E CB 0.678 30.397 29.700 0.032 0.000 0.967 189 E HN 0.170 nan 8.360 nan 0.000 0.435 190 V N 4.977 124.948 119.914 0.096 0.000 2.483 190 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 190 V C -0.206 176.015 176.094 0.211 0.000 1.035 190 V CA -0.641 61.757 62.300 0.163 0.000 0.896 190 V CB 1.665 33.559 31.823 0.118 0.000 0.986 190 V HN 0.513 nan 8.190 nan 0.000 0.447 191 V N 3.782 123.871 119.914 0.293 0.000 2.925 191 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 191 V C -1.436 174.779 176.094 0.202 0.000 1.104 191 V CA -0.867 61.540 62.300 0.179 0.000 0.954 191 V CB 2.428 34.297 31.823 0.078 0.000 1.022 191 V HN 0.743 nan 8.190 nan 0.000 0.427 192 Y N 3.777 124.049 120.300 -0.046 0.000 2.404 192 Y HA 0.568 5.118 4.550 -0.000 0.000 0.344 192 Y C -0.821 175.001 175.900 -0.128 0.000 0.970 192 Y CA -1.875 56.218 58.100 -0.011 0.000 1.180 192 Y CB 0.685 39.143 38.460 -0.002 0.000 1.138 192 Y HN 0.471 nan 8.280 nan 0.000 0.510 193 F N 6.497 126.419 119.950 -0.046 0.000 2.368 193 F HA 0.298 4.826 4.527 0.000 0.000 0.362 193 F C 0.500 176.064 175.800 -0.392 0.000 1.137 193 F CA -0.335 57.524 58.000 -0.234 0.000 1.161 193 F CB 0.581 39.466 39.000 -0.191 0.000 1.265 193 F HN 0.362 nan 8.300 nan 0.000 0.530 194 K N 3.313 123.384 120.400 -0.548 0.000 2.201 194 K HA 0.786 5.106 4.320 -0.000 0.000 0.278 194 K C -0.947 175.594 176.600 -0.098 0.000 1.027 194 K CA -0.343 55.624 56.287 -0.533 0.000 0.909 194 K CB 0.823 32.919 32.500 -0.674 0.000 1.062 194 K HN 0.689 nan 8.250 nan 0.000 0.465 195 A N 3.942 126.771 122.820 0.015 0.000 2.572 195 A HA 0.374 4.694 4.320 -0.000 0.000 0.295 195 A C -0.144 177.484 177.584 0.073 0.000 1.072 195 A CA -0.818 51.257 52.037 0.063 0.000 0.691 195 A CB 1.601 20.648 19.000 0.079 0.000 1.291 195 A HN 0.926 nan 8.150 nan 0.000 0.404 196 R N 0.081 120.619 120.500 0.062 0.000 2.193 196 R HA 0.305 4.644 4.340 -0.000 0.000 0.213 196 R C 0.513 176.884 176.300 0.119 0.000 1.055 196 R CA 1.436 57.582 56.100 0.078 0.000 0.995 196 R CB 0.286 30.618 30.300 0.054 0.000 0.893 196 R HN 0.822 nan 8.270 nan 0.000 0.459 197 A N 0.140 123.004 122.820 0.072 0.000 2.385 197 A HA 0.442 4.761 4.320 -0.000 0.000 0.290 197 A C -0.978 176.634 177.584 0.048 0.000 1.094 197 A CA -0.579 51.496 52.037 0.064 0.000 0.729 197 A CB 1.511 20.303 19.000 -0.346 0.000 1.194 197 A HN -0.003 nan 8.150 nan 0.000 0.442 198 T N 2.407 117.066 114.554 0.176 0.000 2.788 198 T HA 0.477 4.827 4.350 -0.000 0.000 0.296 198 T C -0.388 174.400 174.700 0.146 0.000 1.009 198 T CA -0.236 61.926 62.100 0.103 0.000 0.949 198 T CB 0.874 69.806 68.868 0.106 0.000 0.946 198 T HN 0.460 nan 8.240 nan 0.000 0.453 199 V N 5.631 125.573 119.914 0.047 0.000 2.311 199 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 199 V C 0.224 176.332 176.094 0.022 0.000 1.022 199 V CA -0.838 61.503 62.300 0.068 0.000 0.830 199 V CB 0.788 32.599 31.823 -0.021 0.000 1.012 199 V HN 0.783 nan 8.190 nan 0.000 0.452 200 L N 4.413 125.659 121.223 0.039 0.000 2.361 200 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 200 L C 0.788 177.658 176.870 -0.001 0.000 1.113 200 L CA 0.196 55.035 54.840 -0.000 0.000 0.849 200 L CB 1.010 43.068 42.059 -0.002 0.000 1.155 200 L HN 0.783 nan 8.230 nan 0.000 0.452 201 A N 1.157 123.965 122.820 -0.020 0.000 2.843 201 A HA 0.213 4.533 4.320 -0.000 0.000 0.248 201 A C 0.902 178.475 177.584 -0.019 0.000 0.904 201 A CA -0.058 51.974 52.037 -0.009 0.000 1.091 201 A CB -0.109 18.885 19.000 -0.010 0.000 1.208 201 A HN 0.735 nan 8.150 nan 0.000 0.476 202 T N -3.439 111.097 114.554 -0.029 0.000 3.100 202 T HA 0.459 4.809 4.350 -0.000 0.000 0.253 202 T C 1.261 175.949 174.700 -0.021 0.000 1.118 202 T CA 1.046 63.124 62.100 -0.036 0.000 1.058 202 T CB -0.038 68.797 68.868 -0.054 0.000 0.953 202 T HN 2.067 nan 8.240 nan 0.000 0.515 203 G N 0.106 108.895 108.800 -0.018 0.000 2.615 203 G HA2 0.249 4.209 3.960 -0.000 0.000 0.218 203 G HA3 0.249 4.209 3.960 -0.000 0.000 0.218 203 G C 0.117 174.982 174.900 -0.058 0.000 1.339 203 G CA -0.458 44.633 45.100 -0.016 0.000 0.884 203 G HN 0.842 nan 8.290 nan 0.000 0.559 204 G N -1.926 106.831 108.800 -0.073 0.000 2.574 204 G HA2 0.749 4.709 3.960 -0.000 0.000 0.248 204 G HA3 0.749 4.709 3.960 -0.000 0.000 0.248 204 G C 0.615 175.516 174.900 0.001 0.000 1.422 204 G CA 1.047 46.083 45.100 -0.108 0.000 1.051 204 G HN 2.244 nan 8.290 nan 0.000 0.560 205 A N -1.647 121.254 122.820 0.135 0.000 2.519 205 A HA 0.515 4.835 4.320 -0.000 0.000 0.236 205 A C 1.622 179.311 177.584 0.175 0.000 0.875 205 A CA 0.992 53.155 52.037 0.210 0.000 1.172 205 A CB -0.156 19.029 19.000 0.309 0.000 1.211 205 A HN 1.353 nan 8.150 nan 0.000 0.454 206 G N 0.637 109.499 108.800 0.104 0.000 2.517 206 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.222 206 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.222 206 G C 1.331 176.200 174.900 -0.051 0.000 1.109 206 G CA 0.871 45.959 45.100 -0.020 0.000 0.746 206 G HN 0.395 nan 8.290 nan 0.000 0.576 207 R N 0.502 120.970 120.500 -0.053 0.000 2.323 207 R HA 0.074 4.414 4.340 -0.000 0.000 0.198 207 R C 2.402 178.658 176.300 -0.073 0.000 0.988 207 R CA 0.457 56.525 56.100 -0.053 0.000 1.041 207 R CB -0.568 29.709 30.300 -0.040 0.000 0.926 207 R HN 0.777 nan 8.270 nan 0.000 0.476 208 I N -3.059 117.427 120.570 -0.140 0.000 2.756 208 I HA -0.075 4.095 4.170 -0.000 0.000 0.262 208 I C 0.171 176.043 176.117 -0.408 0.000 1.225 208 I CA 0.650 61.785 61.300 -0.274 0.000 1.472 208 I CB -0.229 37.542 38.000 -0.382 0.000 1.094 208 I HN -0.195 nan 8.210 nan 0.000 0.454 209 Y N 0.989 121.156 120.300 -0.222 0.000 2.458 209 Y HA 0.258 4.808 4.550 -0.000 0.000 0.322 209 Y C 1.657 177.517 175.900 -0.066 0.000 1.259 209 Y CA -0.317 57.702 58.100 -0.135 0.000 1.302 209 Y CB 0.679 39.051 38.460 -0.147 0.000 1.314 209 Y HN -0.131 nan 8.280 nan 0.000 0.509 210 Q N 0.016 119.918 119.800 0.170 0.000 2.187 210 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 210 Q C -0.138 175.920 176.000 0.096 0.000 0.957 210 Q CA 0.734 56.602 55.803 0.108 0.000 0.857 210 Q CB 0.334 29.149 28.738 0.128 0.000 0.929 210 Q HN 0.475 nan 8.270 nan 0.000 0.453 211 S N -0.467 115.306 115.700 0.122 0.000 2.647 211 S HA 0.493 4.963 4.470 -0.000 0.000 0.300 211 S C -1.173 173.447 174.600 0.033 0.000 1.129 211 S CA -0.502 57.740 58.200 0.070 0.000 1.029 211 S CB 1.784 65.038 63.200 0.091 0.000 1.007 211 S HN 0.191 nan 8.310 nan 0.000 0.484 212 T N 1.228 115.772 114.554 -0.017 0.000 2.868 212 T HA 0.455 4.804 4.350 -0.000 0.000 0.306 212 T C 1.147 175.820 174.700 -0.046 0.000 1.224 212 T CA 0.110 62.181 62.100 -0.048 0.000 1.012 212 T CB 1.309 70.132 68.868 -0.074 0.000 1.221 212 T HN 0.672 nan 8.240 nan 0.000 0.499 213 T N 0.457 115.014 114.554 0.005 0.000 3.067 213 T HA 0.181 4.531 4.350 -0.000 0.000 0.261 213 T C 0.722 175.436 174.700 0.023 0.000 1.110 213 T CA 0.254 62.385 62.100 0.051 0.000 1.113 213 T CB -0.562 68.438 68.868 0.221 0.000 0.917 213 T HN 0.588 nan 8.240 nan 0.000 0.499 214 N N 1.621 120.246 118.700 -0.125 0.000 2.508 214 N HA 0.463 5.203 4.740 -0.000 0.000 0.264 214 N C 0.242 175.569 175.510 -0.305 0.000 1.216 214 N CA -0.390 52.399 53.050 -0.434 0.000 0.943 214 N CB 0.662 38.914 38.487 -0.392 0.000 1.113 214 N HN 0.457 nan 8.380 nan 0.000 0.447 215 A N 1.322 123.962 122.820 -0.299 0.000 2.475 215 A HA -0.078 4.242 4.320 -0.000 0.000 0.239 215 A C 1.053 178.580 177.584 -0.096 0.000 1.087 215 A CA 0.090 52.097 52.037 -0.050 0.000 0.779 215 A CB 0.053 19.127 19.000 0.123 0.000 1.036 215 A HN 0.801 nan 8.150 nan 0.000 0.506 216 H N 0.795 119.869 119.070 0.007 0.000 2.489 216 H HA -0.134 4.422 4.556 -0.000 0.000 0.293 216 H C 1.673 177.006 175.328 0.008 0.000 1.066 216 H CA 2.075 58.126 56.048 0.006 0.000 1.305 216 H CB -0.094 29.680 29.762 0.021 0.000 1.386 216 H HN 0.741 nan 8.280 nan 0.000 0.551 217 I N -1.416 119.230 120.570 0.127 0.000 3.684 217 I HA 0.042 4.212 4.170 -0.000 0.000 0.304 217 I C -0.163 175.984 176.117 0.050 0.000 1.278 217 I CA 0.153 61.511 61.300 0.097 0.000 1.272 217 I CB -0.121 37.944 38.000 0.107 0.000 1.029 217 I HN -0.184 nan 8.210 nan 0.000 0.458 218 N N 2.594 121.292 118.700 -0.005 0.000 2.895 218 N HA 0.089 4.829 4.740 -0.000 0.000 0.277 218 N C 0.766 176.276 175.510 0.000 0.000 1.185 218 N CA 0.433 53.462 53.050 -0.035 0.000 1.106 218 N CB 0.336 38.739 38.487 -0.140 0.000 1.422 218 N HN 0.427 nan 8.380 nan 0.000 0.521 219 T N -2.972 111.600 114.554 0.029 0.000 3.132 219 T HA 0.268 4.618 4.350 -0.000 0.000 0.274 219 T C 1.177 175.907 174.700 0.049 0.000 1.011 219 T CA -0.087 62.038 62.100 0.042 0.000 0.899 219 T CB 0.102 69.008 68.868 0.063 0.000 1.089 219 T HN 0.338 nan 8.240 nan 0.000 0.543 220 G N 2.186 111.013 108.800 0.044 0.000 2.198 220 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 220 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 220 G C 0.423 175.340 174.900 0.029 0.000 1.025 220 G CA 0.313 45.438 45.100 0.042 0.000 0.769 220 G HN 0.501 nan 8.290 nan 0.000 0.507 221 D N 0.139 120.550 120.400 0.019 0.000 2.149 221 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 221 D C 2.443 178.734 176.300 -0.016 0.000 0.990 221 D CA 1.774 55.776 54.000 0.003 0.000 0.839 221 D CB -0.696 40.070 40.800 -0.057 0.000 0.948 221 D HN 0.585 nan 8.370 nan 0.000 0.460 222 G N 0.485 109.269 108.800 -0.026 0.000 2.422 222 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.218 222 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.218 222 G C 1.843 176.739 174.900 -0.008 0.000 1.146 222 G CA 0.696 45.781 45.100 -0.026 0.000 0.769 222 G HN 0.254 nan 8.290 nan 0.000 0.547 223 V N 1.493 121.407 119.914 0.000 0.000 2.295 223 V HA -0.062 4.057 4.120 -0.000 0.000 0.246 223 V C 3.122 179.237 176.094 0.036 0.000 1.049 223 V CA 2.040 64.349 62.300 0.014 0.000 1.024 223 V CB -1.025 30.808 31.823 0.017 0.000 0.648 223 V HN 0.429 nan 8.190 nan 0.000 0.447 224 G N -0.863 107.961 108.800 0.040 0.000 2.402 224 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 224 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 224 G C 1.637 176.567 174.900 0.049 0.000 1.162 224 G CA 0.980 46.113 45.100 0.055 0.000 0.777 224 G HN 0.411 nan 8.290 nan 0.000 0.539 225 M N 0.733 120.352 119.600 0.032 0.000 2.117 225 M HA 0.016 4.496 4.480 -0.000 0.000 0.262 225 M C 3.050 179.364 176.300 0.023 0.000 1.065 225 M CA 1.353 56.668 55.300 0.024 0.000 1.114 225 M CB -0.201 32.400 32.600 0.002 0.000 1.361 225 M HN 0.321 nan 8.290 nan 0.000 0.408 226 A N 0.598 123.430 122.820 0.020 0.000 1.877 226 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 226 A C 2.057 179.659 177.584 0.030 0.000 1.186 226 A CA 1.465 53.512 52.037 0.017 0.000 0.620 226 A CB -0.870 18.136 19.000 0.010 0.000 0.822 226 A HN 0.446 nan 8.150 nan 0.000 0.443 227 I N -1.083 119.521 120.570 0.057 0.000 2.315 227 I HA -0.226 3.943 4.170 -0.000 0.000 0.248 227 I C 2.687 178.838 176.117 0.057 0.000 1.117 227 I CA 1.203 62.556 61.300 0.088 0.000 1.404 227 I CB -0.256 37.838 38.000 0.158 0.000 1.071 227 I HN 0.274 nan 8.210 nan 0.000 0.419 228 R N 0.457 120.985 120.500 0.047 0.000 2.189 228 R HA 0.025 4.365 4.340 -0.000 0.000 0.218 228 R C 2.038 178.348 176.300 0.016 0.000 1.074 228 R CA 0.974 57.093 56.100 0.032 0.000 0.991 228 R CB -0.131 30.191 30.300 0.037 0.000 0.883 228 R HN 0.297 nan 8.270 nan 0.000 0.457 229 A N -0.075 122.753 122.820 0.014 0.000 2.251 229 A HA 0.224 4.544 4.320 -0.000 0.000 0.209 229 A C 1.355 178.934 177.584 -0.008 0.000 1.187 229 A CA 0.747 52.786 52.037 0.003 0.000 0.823 229 A CB 0.082 19.085 19.000 0.004 0.000 0.846 229 A HN 0.403 nan 8.150 nan 0.000 0.486 230 G N -1.617 107.177 108.800 -0.009 0.000 2.157 230 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.248 230 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.248 230 G C 0.118 174.997 174.900 -0.035 0.000 0.979 230 G CA 0.113 45.197 45.100 -0.028 0.000 0.650 230 G HN 0.742 nan 8.290 nan 0.000 0.529 231 V N 3.181 123.083 119.914 -0.021 0.000 2.432 231 V HA 0.468 4.588 4.120 -0.000 0.000 0.275 231 V C -0.960 175.125 176.094 -0.015 0.000 1.043 231 V CA -1.240 61.043 62.300 -0.028 0.000 0.925 231 V CB 1.501 33.309 31.823 -0.026 0.000 0.985 231 V HN 0.235 nan 8.190 nan 0.000 0.466 232 P HA 0.338 nan 4.420 nan 0.000 0.274 232 P C -0.876 176.438 177.300 0.023 0.000 1.256 232 P CA -0.095 63.000 63.100 -0.010 0.000 0.795 232 P CB 1.230 32.905 31.700 -0.042 0.000 1.038 233 V N -2.886 117.075 119.914 0.079 0.000 2.962 233 V HA 0.658 4.778 4.120 -0.000 0.000 0.313 233 V C -0.733 175.390 176.094 0.047 0.000 1.099 233 V CA -0.963 61.367 62.300 0.049 0.000 0.971 233 V CB 1.617 33.476 31.823 0.060 0.000 1.028 233 V HN 0.648 nan 8.190 nan 0.000 0.430 234 Q N 0.758 120.553 119.800 -0.007 0.000 2.377 234 Q HA 0.427 4.767 4.340 -0.000 0.000 0.271 234 Q C -0.661 175.336 176.000 -0.005 0.000 1.077 234 Q CA -0.340 55.462 55.803 -0.001 0.000 0.820 234 Q CB 1.856 30.553 28.738 -0.068 0.000 1.347 234 Q HN 0.944 nan 8.270 nan 0.000 0.444 235 D N 2.702 123.134 120.400 0.053 0.000 2.882 235 D HA -0.207 4.433 4.640 -0.000 0.000 0.229 235 D C 0.761 177.034 176.300 -0.046 0.000 1.167 235 D CA 0.743 54.767 54.000 0.041 0.000 0.759 235 D CB -0.253 40.598 40.800 0.084 0.000 1.088 235 D HN 0.647 nan 8.370 nan 0.000 0.425 236 M N -0.131 119.440 119.600 -0.049 0.000 2.346 236 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 236 M C 2.122 178.414 176.300 -0.013 0.000 1.064 236 M CA 1.402 56.650 55.300 -0.087 0.000 1.083 236 M CB -0.563 32.003 32.600 -0.056 0.000 1.399 236 M HN 0.319 nan 8.290 nan 0.000 0.435 237 E N -0.698 119.514 120.200 0.020 0.000 2.418 237 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 237 E C 0.235 176.947 176.600 0.187 0.000 1.026 237 E CA 0.455 56.928 56.400 0.122 0.000 0.862 237 E CB -0.237 29.417 29.700 -0.078 0.000 0.799 237 E HN 0.302 nan 8.360 nan 0.000 0.518 238 M N 1.401 121.015 119.600 0.022 0.000 2.725 238 M HA 0.200 4.680 4.480 -0.000 0.000 0.322 238 M C -1.280 174.978 176.300 -0.070 0.000 1.393 238 M CA -0.033 55.292 55.300 0.042 0.000 1.452 238 M CB -1.196 31.413 32.600 0.014 0.000 1.242 238 M HN 0.064 nan 8.290 nan 0.000 0.487 239 W N 1.886 123.271 121.300 0.141 0.000 2.429 239 W HA 0.418 5.077 4.660 -0.000 0.000 0.314 239 W C 0.465 177.014 176.519 0.050 0.000 1.062 239 W CA -0.458 56.919 57.345 0.054 0.000 1.211 239 W CB 1.040 30.529 29.460 0.048 0.000 1.305 239 W HN 0.459 nan 8.180 nan 0.000 0.476 240 Q N 3.234 123.163 119.800 0.215 0.000 2.279 240 Q HA 0.327 4.667 4.340 -0.000 0.000 0.256 240 Q C -1.277 174.739 176.000 0.026 0.000 0.937 240 Q CA -0.384 55.540 55.803 0.201 0.000 0.933 240 Q CB 0.562 29.444 28.738 0.240 0.000 1.189 240 Q HN 0.413 nan 8.270 nan 0.000 0.417 241 F N 3.827 123.847 119.950 0.116 0.000 2.350 241 F HA 0.174 4.701 4.527 -0.000 0.000 0.365 241 F C 0.623 176.460 175.800 0.062 0.000 1.122 241 F CA -0.679 57.359 58.000 0.063 0.000 1.139 241 F CB 0.578 39.555 39.000 -0.039 0.000 1.220 241 F HN 0.572 nan 8.300 nan 0.000 0.499 242 H N 5.675 124.785 119.070 0.067 0.000 3.001 242 H HA 0.028 4.584 4.556 -0.000 0.000 0.334 242 H C -1.756 173.554 175.328 -0.029 0.000 1.034 242 H CA -1.143 54.854 56.048 -0.086 0.000 1.420 242 H CB 1.579 31.103 29.762 -0.397 0.000 1.405 242 H HN 0.339 nan 8.280 nan 0.000 0.593 243 P HA -0.073 nan 4.420 nan 0.000 0.220 243 P C 0.248 177.617 177.300 0.115 0.000 1.148 243 P CA 1.492 64.586 63.100 -0.010 0.000 0.803 243 P CB 0.240 31.864 31.700 -0.126 0.000 0.782 244 T N -3.469 111.274 114.554 0.314 0.000 3.410 244 T HA 0.594 4.944 4.350 -0.000 0.000 0.328 244 T C 0.331 175.054 174.700 0.038 0.000 1.567 244 T CA -0.849 61.346 62.100 0.158 0.000 1.626 244 T CB -0.003 68.928 68.868 0.105 0.000 0.939 244 T HN -0.035 nan 8.240 nan 0.000 0.656 245 G N 1.596 110.410 108.800 0.025 0.000 2.448 245 G HA2 0.599 4.559 3.960 -0.000 0.000 0.285 245 G HA3 0.599 4.559 3.960 -0.000 0.000 0.285 245 G C -0.016 174.876 174.900 -0.014 0.000 1.176 245 G CA -1.078 44.004 45.100 -0.031 0.000 0.852 245 G HN 0.771 nan 8.290 nan 0.000 0.530 246 I N 1.705 122.256 120.570 -0.031 0.000 2.587 246 I HA 0.132 4.302 4.170 -0.000 0.000 0.284 246 I C 1.299 177.423 176.117 0.012 0.000 1.134 246 I CA -0.092 61.194 61.300 -0.023 0.000 1.410 246 I CB 0.814 38.821 38.000 0.013 0.000 1.392 246 I HN 0.516 nan 8.210 nan 0.000 0.545 247 A N 5.282 128.098 122.820 -0.006 0.000 2.548 247 A HA 0.404 4.724 4.320 -0.000 0.000 0.247 247 A C 1.314 178.996 177.584 0.163 0.000 1.067 247 A CA 0.578 52.660 52.037 0.075 0.000 0.757 247 A CB -0.267 18.774 19.000 0.069 0.000 0.996 247 A HN 1.230 nan 8.150 nan 0.000 0.504 248 G N 0.657 109.552 108.800 0.159 0.000 2.195 248 G HA2 0.052 4.012 3.960 -0.000 0.000 0.246 248 G HA3 0.052 4.012 3.960 -0.000 0.000 0.246 248 G C 0.774 175.754 174.900 0.133 0.000 0.984 248 G CA 1.083 46.282 45.100 0.165 0.000 0.633 248 G HN 2.085 nan 8.290 nan 0.000 0.525 249 A N -1.767 121.113 122.820 0.099 0.000 1.937 249 A HA 0.667 4.987 4.320 -0.000 0.000 0.198 249 A C 2.616 180.174 177.584 -0.043 0.000 1.635 249 A CA 1.913 53.975 52.037 0.041 0.000 1.111 249 A CB -0.200 18.836 19.000 0.060 0.000 1.165 249 A HN 2.279 nan 8.150 nan 0.000 0.460 250 G N -0.792 107.992 108.800 -0.026 0.000 2.284 250 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.247 250 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.247 250 G C 0.403 175.252 174.900 -0.086 0.000 1.012 250 G CA 0.195 45.271 45.100 -0.040 0.000 0.618 250 G HN 1.084 nan 8.290 nan 0.000 0.521 251 V N 2.364 122.179 119.914 -0.165 0.000 2.617 251 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 251 V C 1.153 177.174 176.094 -0.122 0.000 1.040 251 V CA 0.314 62.489 62.300 -0.208 0.000 1.149 251 V CB 1.214 32.777 31.823 -0.433 0.000 0.914 251 V HN 0.602 nan 8.190 nan 0.000 0.487 252 L N 7.585 128.744 121.223 -0.107 0.000 2.426 252 L HA 0.415 4.754 4.340 -0.000 0.000 0.271 252 L C 0.017 176.811 176.870 -0.127 0.000 1.169 252 L CA 0.447 55.187 54.840 -0.167 0.000 0.836 252 L CB 1.200 43.138 42.059 -0.202 0.000 1.112 252 L HN 0.591 nan 8.230 nan 0.000 0.465 253 V N 1.967 121.793 119.914 -0.146 0.000 2.417 253 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 253 V C 0.293 176.328 176.094 -0.098 0.000 1.024 253 V CA -0.443 61.806 62.300 -0.086 0.000 0.861 253 V CB 0.959 32.755 31.823 -0.044 0.000 0.985 253 V HN 0.917 nan 8.190 nan 0.000 0.436 254 T N 2.017 116.549 114.554 -0.038 0.000 2.937 254 T HA 0.025 4.375 4.350 -0.000 0.000 0.316 254 T C 1.039 175.751 174.700 0.021 0.000 1.079 254 T CA 1.054 63.171 62.100 0.028 0.000 1.131 254 T CB 0.636 69.581 68.868 0.127 0.000 1.000 254 T HN 1.107 nan 8.240 nan 0.000 0.549 255 E N 2.311 122.500 120.200 -0.018 0.000 2.333 255 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 255 E C 2.072 178.388 176.600 -0.473 0.000 1.007 255 E CA 1.076 57.260 56.400 -0.361 0.000 0.845 255 E CB -0.753 28.482 29.700 -0.774 0.000 0.766 255 E HN 0.937 nan 8.360 nan 0.000 0.507 256 G N 0.610 109.319 108.800 -0.152 0.000 2.503 256 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.221 256 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.221 256 G C 1.622 176.540 174.900 0.031 0.000 1.131 256 G CA 1.065 46.243 45.100 0.130 0.000 0.756 256 G HN 0.421 nan 8.290 nan 0.000 0.572 257 C N -0.108 119.184 119.300 -0.014 0.000 2.413 257 C HA 0.005 4.465 4.460 -0.000 0.000 0.276 257 C C 3.017 177.984 174.990 -0.038 0.000 1.248 257 C CA 1.035 60.038 59.018 -0.026 0.000 1.742 257 C CB -0.812 26.905 27.740 -0.039 0.000 2.017 257 C HN 0.466 nan 8.230 nan 0.000 0.481 258 R N 0.519 120.976 120.500 -0.073 0.000 2.119 258 R HA 0.063 4.403 4.340 -0.000 0.000 0.222 258 R C 2.420 178.698 176.300 -0.036 0.000 1.088 258 R CA 1.172 57.240 56.100 -0.054 0.000 0.984 258 R CB -0.648 29.594 30.300 -0.097 0.000 0.884 258 R HN 0.585 nan 8.270 nan 0.000 0.447 259 G N 1.004 109.763 108.800 -0.067 0.000 2.422 259 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 259 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 259 G C 1.113 176.059 174.900 0.078 0.000 1.146 259 G CA 0.487 45.598 45.100 0.019 0.000 0.769 259 G HN 0.196 nan 8.290 nan 0.000 0.547 260 E N 0.134 120.380 120.200 0.077 0.000 2.482 260 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 260 E C 1.810 178.446 176.600 0.060 0.000 1.047 260 E CA 0.718 57.169 56.400 0.084 0.000 0.869 260 E CB 0.235 29.977 29.700 0.069 0.000 0.836 260 E HN 0.512 nan 8.360 nan 0.000 0.520 261 G N 0.481 109.324 108.800 0.072 0.000 2.273 261 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.162 261 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.162 261 G C 0.612 175.657 174.900 0.241 0.000 1.006 261 G CA -0.266 44.921 45.100 0.146 0.000 0.704 261 G HN 0.454 nan 8.290 nan 0.000 0.487 262 G N -0.091 108.761 108.800 0.086 0.000 2.606 262 G HA2 0.709 4.669 3.960 -0.000 0.000 0.252 262 G HA3 0.709 4.669 3.960 -0.000 0.000 0.252 262 G C -0.318 174.644 174.900 0.102 0.000 1.206 262 G CA 0.252 45.367 45.100 0.026 0.000 0.861 262 G HN 1.451 nan 8.290 nan 0.000 0.561 263 Y N -2.028 118.297 120.300 0.042 0.000 2.638 263 Y HA 0.633 5.183 4.550 -0.000 0.000 0.335 263 Y C -0.981 174.859 175.900 -0.098 0.000 1.155 263 Y CA -1.733 56.331 58.100 -0.059 0.000 1.046 263 Y CB 0.948 39.357 38.460 -0.084 0.000 1.303 263 Y HN 0.440 nan 8.280 nan 0.000 0.460 264 L N 3.228 124.464 121.223 0.021 0.000 2.326 264 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 264 L C -0.538 176.263 176.870 -0.116 0.000 1.092 264 L CA -0.502 54.266 54.840 -0.119 0.000 0.810 264 L CB 1.017 42.887 42.059 -0.314 0.000 1.153 264 L HN 0.571 nan 8.230 nan 0.000 0.439 265 L N 2.757 124.028 121.223 0.079 0.000 2.333 265 L HA 0.515 4.855 4.340 -0.000 0.000 0.269 265 L C -0.232 176.870 176.870 0.386 0.000 1.010 265 L CA -0.879 54.081 54.840 0.201 0.000 0.818 265 L CB 1.982 44.143 42.059 0.171 0.000 1.306 265 L HN 0.684 nan 8.230 nan 0.000 0.430 266 N N 0.881 119.829 118.700 0.414 0.000 2.604 266 N HA 0.169 4.909 4.740 -0.000 0.000 0.297 266 N C 0.403 175.960 175.510 0.078 0.000 1.266 266 N CA -0.822 52.351 53.050 0.206 0.000 0.961 266 N CB 0.406 38.938 38.487 0.075 0.000 1.166 266 N HN 0.587 nan 8.380 nan 0.000 0.601 267 K N -1.309 119.053 120.400 -0.062 0.000 2.360 267 K HA -0.150 4.170 4.320 -0.000 0.000 0.201 267 K C 0.191 176.884 176.600 0.155 0.000 1.046 267 K CA 1.291 57.564 56.287 -0.023 0.000 0.945 267 K CB -0.352 32.081 32.500 -0.113 0.000 0.750 267 K HN 0.460 nan 8.250 nan 0.000 0.464 268 H N -0.299 118.806 119.070 0.058 0.000 2.575 268 H HA 0.203 4.759 4.556 -0.000 0.000 0.267 268 H C 1.169 176.537 175.328 0.065 0.000 0.966 268 H CA 0.292 56.372 56.048 0.053 0.000 1.165 268 H CB 0.946 30.735 29.762 0.044 0.000 1.433 268 H HN 0.561 nan 8.280 nan 0.000 0.544 269 G N 0.756 109.679 108.800 0.206 0.000 2.141 269 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 269 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 269 G C 0.176 175.168 174.900 0.152 0.000 0.982 269 G CA 0.164 45.358 45.100 0.158 0.000 0.662 269 G HN 0.455 nan 8.290 nan 0.000 0.527 270 E N 0.339 120.654 120.200 0.193 0.000 2.290 270 E HA 0.288 4.638 4.350 -0.000 0.000 0.277 270 E C 0.732 177.437 176.600 0.174 0.000 1.035 270 E CA -0.723 55.782 56.400 0.176 0.000 0.873 270 E CB 0.311 30.139 29.700 0.213 0.000 1.029 270 E HN 0.322 nan 8.360 nan 0.000 0.419 271 R N 5.386 125.904 120.500 0.030 0.000 2.878 271 R HA 0.024 4.364 4.340 -0.000 0.000 0.239 271 R C 0.638 176.877 176.300 -0.101 0.000 1.515 271 R CA -0.114 55.916 56.100 -0.117 0.000 1.210 271 R CB -0.415 29.722 30.300 -0.272 0.000 1.209 271 R HN 0.505 nan 8.270 nan 0.000 0.610 272 F N 1.307 121.310 119.950 0.087 0.000 2.502 272 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 272 F C 1.315 177.241 175.800 0.210 0.000 1.111 272 F CA 0.082 58.161 58.000 0.131 0.000 1.445 272 F CB -0.231 38.900 39.000 0.218 0.000 1.081 272 F HN 0.255 nan 8.300 nan 0.000 0.558 273 M N 1.247 120.792 119.600 -0.091 0.000 2.346 273 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 273 M C 1.857 178.206 176.300 0.081 0.000 1.064 273 M CA 1.086 56.426 55.300 0.067 0.000 1.083 273 M CB -1.333 31.203 32.600 -0.105 0.000 1.399 273 M HN 0.406 nan 8.290 nan 0.000 0.435 274 E N -0.722 119.483 120.200 0.008 0.000 2.204 274 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 274 E C 2.162 178.771 176.600 0.015 0.000 0.989 274 E CA 0.754 57.151 56.400 -0.005 0.000 0.824 274 E CB -0.071 29.598 29.700 -0.050 0.000 0.756 274 E HN 0.488 nan 8.360 nan 0.000 0.477 275 R N -0.164 120.348 120.500 0.020 0.000 2.075 275 R HA -0.061 4.278 4.340 -0.000 0.000 0.220 275 R C 1.668 177.927 176.300 -0.069 0.000 1.118 275 R CA 0.788 56.844 56.100 -0.073 0.000 0.986 275 R CB 0.007 30.197 30.300 -0.184 0.000 0.884 275 R HN 0.129 nan 8.270 nan 0.000 0.439 276 Y N -0.343 120.026 120.300 0.115 0.000 2.337 276 Y HA 0.191 4.741 4.550 -0.000 0.000 0.293 276 Y C 0.722 176.684 175.900 0.103 0.000 1.123 276 Y CA 0.835 59.006 58.100 0.119 0.000 1.201 276 Y CB 0.429 38.987 38.460 0.163 0.000 1.011 276 Y HN 0.135 nan 8.280 nan 0.000 0.545 277 A N -0.584 122.377 122.820 0.235 0.000 3.082 277 A HA 0.423 4.743 4.320 -0.000 0.000 0.328 277 A C -2.195 175.455 177.584 0.109 0.000 1.089 277 A CA -1.131 51.013 52.037 0.178 0.000 0.802 277 A CB 0.270 19.377 19.000 0.177 0.000 1.138 277 A HN -0.028 nan 8.150 nan 0.000 0.474 278 P HA -0.159 nan 4.420 nan 0.000 0.216 278 P C 1.182 178.503 177.300 0.035 0.000 1.150 278 P CA 1.378 64.503 63.100 0.041 0.000 0.837 278 P CB 0.311 32.028 31.700 0.028 0.000 0.786 279 N N -0.398 118.334 118.700 0.055 0.000 2.132 279 N HA -0.049 4.691 4.740 -0.000 0.000 0.187 279 N C 1.701 177.243 175.510 0.054 0.000 1.038 279 N CA 1.669 54.748 53.050 0.048 0.000 0.846 279 N CB -1.053 37.468 38.487 0.056 0.000 1.012 279 N HN 0.054 nan 8.380 nan 0.000 0.429 280 A N 0.576 123.454 122.820 0.097 0.000 2.132 280 A HA 0.071 4.391 4.320 -0.000 0.000 0.213 280 A C 0.865 178.461 177.584 0.020 0.000 1.154 280 A CA 0.280 52.364 52.037 0.077 0.000 0.753 280 A CB -0.055 19.033 19.000 0.146 0.000 0.826 280 A HN 0.296 nan 8.150 nan 0.000 0.469 281 K N -1.111 119.305 120.400 0.026 0.000 1.931 281 K HA -0.287 4.033 4.320 -0.000 0.000 0.126 281 K C 0.275 176.851 176.600 -0.040 0.000 1.372 281 K CA 1.856 58.138 56.287 -0.009 0.000 0.483 281 K CB -1.297 31.181 32.500 -0.037 0.000 0.562 281 K HN 0.351 nan 8.250 nan 0.000 0.923 282 D N 0.893 121.255 120.400 -0.063 0.000 2.392 282 D HA 0.001 4.641 4.640 -0.000 0.000 0.228 282 D C 0.872 177.104 176.300 -0.114 0.000 1.003 282 D CA 0.834 54.782 54.000 -0.087 0.000 0.917 282 D CB -0.040 40.728 40.800 -0.055 0.000 0.890 282 D HN 0.205 nan 8.370 nan 0.000 0.532 283 L N 0.076 121.237 121.223 -0.102 0.000 2.872 283 L HA 0.397 4.737 4.340 -0.000 0.000 0.245 283 L C 0.838 177.592 176.870 -0.193 0.000 1.211 283 L CA -0.625 54.135 54.840 -0.134 0.000 1.013 283 L CB 0.034 42.049 42.059 -0.074 0.000 1.326 283 L HN -0.030 nan 8.230 nan 0.000 0.525 284 A N 0.148 122.822 122.820 -0.243 0.000 2.346 284 A HA 0.507 4.827 4.320 -0.000 0.000 0.255 284 A C 0.921 178.068 177.584 -0.729 0.000 1.113 284 A CA 0.304 52.019 52.037 -0.536 0.000 0.798 284 A CB -0.061 18.772 19.000 -0.279 0.000 1.073 284 A HN 0.284 nan 8.150 nan 0.000 0.502 285 G N -1.140 106.882 108.800 -1.296 0.000 2.554 285 G HA2 0.304 4.264 3.960 -0.000 0.000 0.238 285 G HA3 0.304 4.264 3.960 -0.000 0.000 0.238 285 G C 0.726 175.440 174.900 -0.311 0.000 1.259 285 G CA -0.247 44.467 45.100 -0.644 0.000 0.843 285 G HN 0.780 nan 8.290 nan 0.000 0.582 286 R N 0.287 120.662 120.500 -0.209 0.000 2.096 286 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 286 R C 2.358 178.597 176.300 -0.103 0.000 1.127 286 R CA 1.613 57.604 56.100 -0.181 0.000 0.968 286 R CB -0.121 30.069 30.300 -0.182 0.000 0.861 286 R HN 0.810 nan 8.270 nan 0.000 0.440 287 D N 0.464 120.835 120.400 -0.048 0.000 2.133 287 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 287 D C 1.777 178.043 176.300 -0.056 0.000 0.997 287 D CA 1.234 55.221 54.000 -0.023 0.000 0.840 287 D CB -0.447 40.367 40.800 0.023 0.000 0.947 287 D HN 0.106 nan 8.370 nan 0.000 0.452 288 V N 0.728 120.620 119.914 -0.037 0.000 2.407 288 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 288 V C 2.938 178.991 176.094 -0.067 0.000 1.041 288 V CA 0.993 63.285 62.300 -0.013 0.000 1.040 288 V CB -0.143 31.733 31.823 0.088 0.000 0.671 288 V HN 0.100 nan 8.190 nan 0.000 0.455 289 V N 0.512 120.370 119.914 -0.093 0.000 2.295 289 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 289 V C 2.736 178.788 176.094 -0.070 0.000 1.049 289 V CA 2.032 64.283 62.300 -0.081 0.000 1.024 289 V CB -1.192 30.558 31.823 -0.121 0.000 0.648 289 V HN 0.542 nan 8.190 nan 0.000 0.447 290 A N -0.054 122.714 122.820 -0.088 0.000 1.865 290 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 290 A C 2.396 179.897 177.584 -0.140 0.000 1.191 290 A CA 2.015 54.002 52.037 -0.083 0.000 0.623 290 A CB -0.567 18.398 19.000 -0.059 0.000 0.826 290 A HN 0.479 nan 8.150 nan 0.000 0.444 291 R N -0.309 120.072 120.500 -0.199 0.000 2.091 291 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 291 R C 2.566 178.805 176.300 -0.102 0.000 1.136 291 R CA 1.634 57.607 56.100 -0.213 0.000 0.959 291 R CB -0.411 29.767 30.300 -0.204 0.000 0.856 291 R HN 0.551 nan 8.270 nan 0.000 0.437 292 S N 0.955 116.501 115.700 -0.257 0.000 2.368 292 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 292 S C 1.990 176.355 174.600 -0.392 0.000 1.030 292 S CA 1.110 58.928 58.200 -0.637 0.000 0.999 292 S CB -0.189 62.585 63.200 -0.709 0.000 0.844 292 S HN 0.230 nan 8.310 nan 0.000 0.459 293 I N 1.354 121.855 120.570 -0.116 0.000 2.163 293 I HA -0.209 3.960 4.170 -0.000 0.000 0.243 293 I C 2.320 178.366 176.117 -0.118 0.000 1.085 293 I CA 1.023 62.277 61.300 -0.076 0.000 1.347 293 I CB -0.372 37.674 38.000 0.076 0.000 1.044 293 I HN 0.279 nan 8.210 nan 0.000 0.408 294 M N 0.099 119.680 119.600 -0.031 0.000 2.159 294 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 294 M C 2.388 178.720 176.300 0.055 0.000 1.063 294 M CA 1.781 57.118 55.300 0.061 0.000 1.110 294 M CB -0.996 31.723 32.600 0.199 0.000 1.374 294 M HN 0.229 nan 8.290 nan 0.000 0.411 295 I N -0.127 120.463 120.570 0.033 0.000 2.202 295 I HA -0.251 3.918 4.170 -0.000 0.000 0.242 295 I C 2.411 178.482 176.117 -0.078 0.000 1.091 295 I CA 0.937 62.230 61.300 -0.011 0.000 1.368 295 I CB -0.423 37.603 38.000 0.043 0.000 1.058 295 I HN 0.220 nan 8.210 nan 0.000 0.410 296 E N 0.910 121.000 120.200 -0.183 0.000 2.086 296 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 296 E C 2.227 178.709 176.600 -0.197 0.000 1.012 296 E CA 1.589 57.825 56.400 -0.273 0.000 0.812 296 E CB -0.391 28.929 29.700 -0.634 0.000 0.743 296 E HN 0.536 nan 8.360 nan 0.000 0.453 297 I N 0.468 120.946 120.570 -0.154 0.000 2.163 297 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 297 I C 2.606 178.673 176.117 -0.083 0.000 1.081 297 I CA 1.086 62.324 61.300 -0.104 0.000 1.353 297 I CB -0.241 37.723 38.000 -0.060 0.000 1.054 297 I HN 0.001 nan 8.210 nan 0.000 0.407 298 R N 0.729 121.187 120.500 -0.070 0.000 2.117 298 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 298 R C 1.651 177.896 176.300 -0.091 0.000 1.143 298 R CA 1.514 57.564 56.100 -0.083 0.000 0.968 298 R CB -0.353 29.881 30.300 -0.112 0.000 0.863 298 R HN 0.477 nan 8.270 nan 0.000 0.444 299 E N -0.623 119.522 120.200 -0.091 0.000 2.476 299 E HA 0.072 4.421 4.350 -0.000 0.000 0.191 299 E C 0.475 177.024 176.600 -0.084 0.000 1.064 299 E CA 0.252 56.602 56.400 -0.083 0.000 0.866 299 E CB 0.665 30.323 29.700 -0.070 0.000 0.952 299 E HN 0.534 nan 8.360 nan 0.000 0.492 300 G N 2.136 110.880 108.800 -0.093 0.000 2.160 300 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.244 300 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.244 300 G C 0.642 175.461 174.900 -0.136 0.000 1.022 300 G CA 0.112 45.157 45.100 -0.091 0.000 0.741 300 G HN 0.273 nan 8.290 nan 0.000 0.508 301 R N -0.084 120.303 120.500 -0.188 0.000 2.472 301 R HA 0.323 4.663 4.340 -0.000 0.000 0.279 301 R C 1.600 177.744 176.300 -0.260 0.000 0.953 301 R CA 0.193 56.110 56.100 -0.305 0.000 1.088 301 R CB 0.689 30.788 30.300 -0.335 0.000 1.197 301 R HN 0.387 nan 8.270 nan 0.000 0.536 302 G N 0.450 109.132 108.800 -0.196 0.000 2.606 302 G HA2 0.214 4.174 3.960 -0.000 0.000 0.252 302 G HA3 0.214 4.174 3.960 -0.000 0.000 0.252 302 G C -0.014 174.766 174.900 -0.200 0.000 1.206 302 G CA -0.443 44.545 45.100 -0.186 0.000 0.861 302 G HN 0.157 nan 8.290 nan 0.000 0.561 303 C N 0.160 119.266 119.300 -0.324 0.000 2.335 303 C HA 0.675 5.134 4.460 -0.000 0.000 0.363 303 C C 0.209 174.994 174.990 -0.341 0.000 1.198 303 C CA -0.573 58.230 59.018 -0.358 0.000 2.279 303 C CB 1.424 28.868 27.740 -0.493 0.000 2.334 303 C HN 0.766 nan 8.230 nan 0.000 0.559 304 D N -1.463 118.920 120.400 -0.028 0.000 2.566 304 D HA 0.781 5.421 4.640 -0.000 0.000 0.254 304 D C 0.037 176.582 176.300 0.408 0.000 1.090 304 D CA 0.482 54.589 54.000 0.178 0.000 1.034 304 D CB 2.269 43.126 40.800 0.095 0.000 1.434 304 D HN 0.980 nan 8.370 nan 0.000 0.509 305 G N -0.363 108.632 108.800 0.325 0.000 2.333 305 G HA2 0.121 4.081 3.960 -0.000 0.000 0.288 305 G HA3 0.121 4.081 3.960 -0.000 0.000 0.288 305 G C -2.244 172.590 174.900 -0.109 0.000 1.286 305 G CA -0.384 44.787 45.100 0.119 0.000 0.865 305 G HN 0.320 nan 8.290 nan 0.000 0.506 306 P HA -0.090 nan 4.420 nan 0.000 0.216 306 P C 1.355 178.462 177.300 -0.322 0.000 1.150 306 P CA 1.563 64.377 63.100 -0.476 0.000 0.843 306 P CB -0.065 31.206 31.700 -0.715 0.000 0.787 307 W N 0.498 121.798 121.300 0.001 0.000 2.468 307 W HA 0.146 4.805 4.660 -0.000 0.000 0.262 307 W C 1.213 177.763 176.519 0.052 0.000 1.241 307 W CA 1.162 58.500 57.345 -0.012 0.000 1.232 307 W CB -1.257 28.124 29.460 -0.131 0.000 1.124 307 W HN 0.112 nan 8.180 nan 0.000 0.597 308 G N 0.090 109.068 108.800 0.295 0.000 2.728 308 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.294 308 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.294 308 G C -2.873 172.247 174.900 0.367 0.000 1.342 308 G CA -1.314 43.935 45.100 0.248 0.000 0.866 308 G HN -0.219 nan 8.290 nan 0.000 0.534 309 P HA 0.301 nan 4.420 nan 0.000 0.266 309 P C -0.013 177.423 177.300 0.227 0.000 1.193 309 P CA 0.992 64.182 63.100 0.150 0.000 0.770 309 P CB 0.413 32.153 31.700 0.067 0.000 0.836 310 H N -0.645 118.464 119.070 0.065 0.000 2.951 310 H HA 0.626 5.182 4.556 -0.000 0.000 0.292 310 H C -1.881 173.469 175.328 0.036 0.000 1.412 310 H CA -1.111 54.964 56.048 0.045 0.000 1.206 310 H CB 0.175 29.954 29.762 0.029 0.000 1.862 310 H HN 0.456 nan 8.280 nan 0.000 0.502 311 A N 1.330 124.238 122.820 0.146 0.000 2.281 311 A HA 0.571 4.891 4.320 -0.000 0.000 0.329 311 A C -0.351 177.371 177.584 0.229 0.000 1.122 311 A CA -0.955 51.176 52.037 0.157 0.000 0.850 311 A CB 1.012 20.176 19.000 0.274 0.000 1.207 311 A HN 0.483 nan 8.150 nan 0.000 0.495 312 K N 0.815 121.320 120.400 0.175 0.000 2.211 312 K HA 0.380 4.700 4.320 -0.000 0.000 0.275 312 K C -1.416 175.206 176.600 0.038 0.000 1.024 312 K CA -0.447 55.900 56.287 0.100 0.000 0.887 312 K CB 1.462 34.012 32.500 0.083 0.000 1.084 312 K HN 0.472 nan 8.250 nan 0.000 0.463 313 L N 3.517 124.726 121.223 -0.024 0.000 2.264 313 L HA 0.260 4.599 4.340 -0.000 0.000 0.287 313 L C -0.108 176.696 176.870 -0.109 0.000 1.039 313 L CA -0.094 54.709 54.840 -0.062 0.000 0.829 313 L CB 0.546 42.572 42.059 -0.055 0.000 1.211 313 L HN 0.430 nan 8.230 nan 0.000 0.427 314 K N 5.294 125.583 120.400 -0.185 0.000 2.276 314 K HA 0.370 4.689 4.320 -0.000 0.000 0.285 314 K C -0.158 176.324 176.600 -0.196 0.000 1.062 314 K CA -0.303 55.848 56.287 -0.227 0.000 0.918 314 K CB 0.609 32.880 32.500 -0.381 0.000 1.055 314 K HN 0.862 nan 8.250 nan 0.000 0.477 315 L N 3.200 124.349 121.223 -0.125 0.000 2.993 315 L HA 0.082 4.422 4.340 -0.000 0.000 0.264 315 L C 1.080 177.801 176.870 -0.249 0.000 1.154 315 L CA 0.010 54.722 54.840 -0.213 0.000 0.972 315 L CB 0.240 42.207 42.059 -0.154 0.000 1.373 315 L HN 0.721 nan 8.230 nan 0.000 0.564 316 D N -0.518 119.841 120.400 -0.068 0.000 2.218 316 D HA -0.270 4.370 4.640 -0.000 0.000 0.204 316 D C 1.961 178.240 176.300 -0.035 0.000 0.976 316 D CA 1.347 55.323 54.000 -0.040 0.000 0.853 316 D CB -0.290 40.516 40.800 0.010 0.000 0.939 316 D HN 0.494 nan 8.370 nan 0.000 0.481 317 H N 0.642 119.684 119.070 -0.047 0.000 2.524 317 H HA 0.048 4.604 4.556 -0.000 0.000 0.282 317 H C 1.925 177.253 175.328 -0.000 0.000 1.016 317 H CA 0.435 56.477 56.048 -0.010 0.000 1.270 317 H CB -0.528 29.243 29.762 0.015 0.000 1.394 317 H HN 0.261 nan 8.280 nan 0.000 0.568 318 L N 0.603 121.551 121.223 -0.459 0.000 2.201 318 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 318 L C 1.102 177.904 176.870 -0.113 0.000 1.105 318 L CA 0.844 55.522 54.840 -0.271 0.000 0.775 318 L CB -0.559 41.318 42.059 -0.304 0.000 0.913 318 L HN 0.600 nan 8.230 nan 0.000 0.440 319 G N 0.058 108.804 108.800 -0.090 0.000 2.712 319 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.686 319 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.686 319 G C 0.253 175.125 174.900 -0.046 0.000 1.321 319 G CA 0.055 45.128 45.100 -0.045 0.000 0.813 319 G HN 0.134 nan 8.290 nan 0.000 0.599 320 K N -0.082 120.299 120.400 -0.032 0.000 2.063 320 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 320 K C 2.160 178.741 176.600 -0.032 0.000 1.048 320 K CA 2.097 58.366 56.287 -0.030 0.000 0.928 320 K CB -0.168 32.319 32.500 -0.021 0.000 0.713 320 K HN 0.627 nan 8.250 nan 0.000 0.442 321 E N -0.062 120.120 120.200 -0.029 0.000 2.031 321 E HA -0.161 4.188 4.350 -0.000 0.000 0.193 321 E C 1.990 178.568 176.600 -0.037 0.000 0.994 321 E CA 1.454 57.837 56.400 -0.030 0.000 0.800 321 E CB 0.101 29.786 29.700 -0.024 0.000 0.752 321 E HN 0.136 nan 8.360 nan 0.000 0.447 322 V N 1.554 121.444 119.914 -0.039 0.000 2.343 322 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 322 V C 2.452 178.520 176.094 -0.044 0.000 1.051 322 V CA 1.433 63.708 62.300 -0.042 0.000 1.036 322 V CB -0.469 31.331 31.823 -0.037 0.000 0.654 322 V HN 0.279 nan 8.190 nan 0.000 0.451 323 L N -0.369 120.825 121.223 -0.048 0.000 1.989 323 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 323 L C 2.593 179.442 176.870 -0.036 0.000 1.071 323 L CA 1.959 56.772 54.840 -0.045 0.000 0.749 323 L CB -0.692 41.336 42.059 -0.052 0.000 0.890 323 L HN 0.345 nan 8.230 nan 0.000 0.431 324 E N -0.756 119.423 120.200 -0.036 0.000 2.153 324 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 324 E C 2.321 178.899 176.600 -0.037 0.000 0.988 324 E CA 1.357 57.737 56.400 -0.033 0.000 0.811 324 E CB -0.005 29.676 29.700 -0.031 0.000 0.746 324 E HN 0.381 nan 8.360 nan 0.000 0.466 325 S N 0.113 115.786 115.700 -0.045 0.000 2.371 325 S HA -0.023 4.447 4.470 -0.000 0.000 0.221 325 S C 1.871 176.429 174.600 -0.069 0.000 1.036 325 S CA 0.435 58.599 58.200 -0.060 0.000 0.965 325 S CB 0.215 63.370 63.200 -0.074 0.000 0.845 325 S HN 0.060 nan 8.310 nan 0.000 0.475 326 R N 0.192 120.657 120.500 -0.058 0.000 2.206 326 R HA 0.390 4.730 4.340 -0.000 0.000 0.198 326 R C 0.547 176.855 176.300 0.014 0.000 0.986 326 R CA 0.410 56.487 56.100 -0.038 0.000 1.029 326 R CB -0.285 30.003 30.300 -0.020 0.000 0.966 326 R HN 0.409 nan 8.270 nan 0.000 0.487 327 L N 1.693 122.917 121.223 0.002 0.000 3.313 327 L HA 0.241 4.581 4.340 -0.000 0.000 0.320 327 L C -1.702 175.168 176.870 -0.001 0.000 1.304 327 L CA -0.821 54.027 54.840 0.013 0.000 0.920 327 L CB 1.505 43.569 42.059 0.009 0.000 1.357 327 L HN -0.117 nan 8.230 nan 0.000 0.602 328 P HA -0.105 nan 4.420 nan 0.000 0.219 328 P C 1.601 178.894 177.300 -0.011 0.000 1.150 328 P CA 1.320 64.410 63.100 -0.017 0.000 0.814 328 P CB 0.347 32.032 31.700 -0.025 0.000 0.787 329 G N 1.408 110.206 108.800 -0.004 0.000 2.418 329 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 329 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 329 G C 1.505 176.416 174.900 0.019 0.000 1.158 329 G CA 1.173 46.275 45.100 0.003 0.000 0.771 329 G HN 0.397 nan 8.290 nan 0.000 0.545 330 I N -1.122 119.458 120.570 0.017 0.000 2.617 330 I HA 0.144 4.313 4.170 -0.000 0.000 0.256 330 I C 2.392 178.517 176.117 0.013 0.000 1.167 330 I CA 0.625 61.936 61.300 0.019 0.000 1.469 330 I CB -0.418 37.586 38.000 0.007 0.000 1.098 330 I HN 0.051 nan 8.210 nan 0.000 0.436 331 L N 0.604 121.827 121.223 -0.000 0.000 2.013 331 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 331 L C 2.750 179.619 176.870 -0.002 0.000 1.073 331 L CA 2.083 56.918 54.840 -0.008 0.000 0.753 331 L CB -0.754 41.294 42.059 -0.018 0.000 0.890 331 L HN 0.362 nan 8.230 nan 0.000 0.432 332 E N 0.567 120.769 120.200 0.003 0.000 2.072 332 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 332 E C 2.196 178.818 176.600 0.037 0.000 0.985 332 E CA 1.138 57.539 56.400 0.002 0.000 0.801 332 E CB -0.218 29.480 29.700 -0.003 0.000 0.750 332 E HN 0.343 nan 8.360 nan 0.000 0.452 333 L N -0.004 121.276 121.223 0.095 0.000 1.989 333 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 333 L C 2.667 179.670 176.870 0.222 0.000 1.071 333 L CA 1.584 56.559 54.840 0.225 0.000 0.749 333 L CB -0.817 41.350 42.059 0.180 0.000 0.890 333 L HN 0.197 nan 8.230 nan 0.000 0.431 334 S N -0.239 115.527 115.700 0.111 0.000 2.370 334 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 334 S C 2.123 176.765 174.600 0.069 0.000 1.033 334 S CA 1.462 59.710 58.200 0.081 0.000 1.011 334 S CB -0.105 63.107 63.200 0.019 0.000 0.852 334 S HN 0.305 nan 8.310 nan 0.000 0.457 335 R N -0.203 120.304 120.500 0.012 0.000 2.092 335 R HA -0.017 4.323 4.340 -0.000 0.000 0.231 335 R C 2.507 178.727 176.300 -0.133 0.000 1.119 335 R CA 1.894 57.965 56.100 -0.049 0.000 0.970 335 R CB -0.678 29.579 30.300 -0.072 0.000 0.864 335 R HN 0.394 nan 8.270 nan 0.000 0.440 336 T N 0.020 114.482 114.554 -0.153 0.000 2.770 336 T HA -0.020 4.330 4.350 -0.000 0.000 0.258 336 T C 1.165 175.649 174.700 -0.361 0.000 1.039 336 T CA 1.153 63.028 62.100 -0.374 0.000 1.143 336 T CB -0.091 68.437 68.868 -0.567 0.000 0.866 336 T HN 0.078 nan 8.240 nan 0.000 0.428 337 F N 0.451 120.481 119.950 0.133 0.000 2.714 337 F HA 0.510 5.036 4.527 -0.000 0.000 0.294 337 F C 2.104 178.055 175.800 0.251 0.000 1.120 337 F CA -0.117 57.990 58.000 0.179 0.000 1.398 337 F CB 0.034 39.099 39.000 0.108 0.000 1.120 337 F HN 0.142 nan 8.300 nan 0.000 0.589 338 A N -2.113 120.946 122.820 0.399 0.000 2.358 338 A HA 0.193 4.513 4.320 -0.000 0.000 0.223 338 A C 0.499 178.431 177.584 0.580 0.000 1.218 338 A CA 0.061 52.356 52.037 0.430 0.000 0.942 338 A CB -0.538 18.541 19.000 0.132 0.000 1.005 338 A HN 0.467 nan 8.150 nan 0.000 0.514 339 H N -1.125 118.058 119.070 0.188 0.000 2.839 339 H HA -0.135 4.421 4.556 -0.000 0.000 0.298 339 H C -0.875 174.551 175.328 0.163 0.000 1.224 339 H CA 0.522 56.655 56.048 0.143 0.000 1.144 339 H CB -1.760 28.080 29.762 0.130 0.000 1.372 339 H HN 0.244 nan 8.280 nan 0.000 0.408 340 V N 1.401 121.431 119.914 0.192 0.000 2.531 340 V HA 0.095 4.215 4.120 -0.000 0.000 0.301 340 V C 0.065 176.181 176.094 0.038 0.000 1.034 340 V CA -0.700 61.665 62.300 0.109 0.000 0.865 340 V CB 2.210 34.053 31.823 0.033 0.000 0.995 340 V HN 0.211 nan 8.190 nan 0.000 0.424 341 D N 6.953 127.369 120.400 0.026 0.000 2.352 341 D HA 0.308 4.947 4.640 -0.000 0.000 0.245 341 D C -1.661 174.633 176.300 -0.010 0.000 1.224 341 D CA -2.019 51.983 54.000 0.002 0.000 0.879 341 D CB 2.030 42.831 40.800 0.002 0.000 1.057 341 D HN 0.197 nan 8.370 nan 0.000 0.491 342 P HA -0.103 nan 4.420 nan 0.000 0.222 342 P C 1.448 178.724 177.300 -0.040 0.000 1.147 342 P CA 0.311 63.387 63.100 -0.039 0.000 0.790 342 P CB 0.366 32.039 31.700 -0.046 0.000 0.780 343 V N 0.125 120.020 119.914 -0.031 0.000 2.594 343 V HA -0.207 3.912 4.120 -0.000 0.000 0.253 343 V C 2.014 178.098 176.094 -0.016 0.000 1.069 343 V CA 1.763 64.046 62.300 -0.029 0.000 1.082 343 V CB -0.788 31.022 31.823 -0.023 0.000 0.680 343 V HN 0.245 nan 8.190 nan 0.000 0.469 344 K N -0.922 119.473 120.400 -0.007 0.000 2.424 344 K HA 0.297 4.617 4.320 -0.000 0.000 0.198 344 K C 0.707 177.314 176.600 0.011 0.000 1.190 344 K CA 0.083 56.375 56.287 0.007 0.000 0.935 344 K CB 1.194 33.703 32.500 0.015 0.000 1.087 344 K HN 0.388 nan 8.250 nan 0.000 0.524 345 E N 1.636 121.838 120.200 0.003 0.000 2.317 345 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 345 E C -2.797 173.783 176.600 -0.033 0.000 0.885 345 E CA -2.505 53.896 56.400 0.003 0.000 0.760 345 E CB 2.678 32.392 29.700 0.025 0.000 1.227 345 E HN -0.211 nan 8.360 nan 0.000 0.434 346 P HA 0.113 nan 4.420 nan 0.000 0.272 346 P C -0.575 176.640 177.300 -0.141 0.000 1.223 346 P CA 0.176 63.229 63.100 -0.078 0.000 0.784 346 P CB 0.467 32.135 31.700 -0.053 0.000 0.923 347 I N 4.013 124.495 120.570 -0.147 0.000 2.395 347 I HA 0.206 4.376 4.170 -0.000 0.000 0.289 347 I C -1.889 174.053 176.117 -0.291 0.000 1.023 347 I CA -2.325 58.847 61.300 -0.213 0.000 1.350 347 I CB 0.878 38.797 38.000 -0.134 0.000 1.409 347 I HN 0.158 nan 8.210 nan 0.000 0.507 348 P HA 0.143 nan 4.420 nan 0.000 0.282 348 P C -0.804 176.299 177.300 -0.330 0.000 1.274 348 P CA -0.054 62.624 63.100 -0.704 0.000 0.770 348 P CB 0.992 31.641 31.700 -1.751 0.000 0.867 349 V N 2.414 122.288 119.914 -0.068 0.000 2.962 349 V HA 0.744 4.864 4.120 -0.000 0.000 0.313 349 V C -0.675 175.473 176.094 0.089 0.000 1.099 349 V CA -1.157 61.145 62.300 0.003 0.000 0.971 349 V CB 2.519 34.348 31.823 0.010 0.000 1.028 349 V HN 0.477 nan 8.190 nan 0.000 0.430 350 I N 2.580 123.198 120.570 0.079 0.000 2.752 350 I HA 0.636 4.805 4.170 -0.000 0.000 0.295 350 I C -2.795 173.378 176.117 0.094 0.000 1.219 350 I CA -2.382 58.974 61.300 0.095 0.000 1.030 350 I CB 3.359 41.423 38.000 0.107 0.000 1.259 350 I HN 0.551 nan 8.210 nan 0.000 0.423 351 P HA 0.131 nan 4.420 nan 0.000 0.264 351 P C -1.454 175.961 177.300 0.192 0.000 1.183 351 P CA 0.258 63.433 63.100 0.125 0.000 0.763 351 P CB 0.446 32.183 31.700 0.062 0.000 0.807 352 T N 2.039 116.743 114.554 0.249 0.000 3.071 352 T HA 0.140 4.490 4.350 -0.000 0.000 0.311 352 T C -0.702 174.043 174.700 0.074 0.000 1.042 352 T CA -0.352 61.863 62.100 0.191 0.000 1.028 352 T CB 0.702 69.622 68.868 0.086 0.000 1.068 352 T HN 0.448 nan 8.240 nan 0.000 0.451 353 C N 3.827 123.015 119.300 -0.187 0.000 2.437 353 C HA 0.130 4.590 4.460 -0.000 0.000 0.399 353 C C 1.458 176.328 174.990 -0.200 0.000 1.478 353 C CA 1.040 59.610 59.018 -0.747 0.000 1.538 353 C CB -1.244 25.892 27.740 -1.008 0.000 2.506 353 C HN 1.133 nan 8.230 nan 0.000 0.603 354 H N 2.444 121.398 119.070 -0.194 0.000 2.348 354 H HA 0.288 4.844 4.556 -0.000 0.000 0.233 354 H C -0.767 174.678 175.328 0.195 0.000 0.889 354 H CA 0.702 56.780 56.048 0.050 0.000 1.034 354 H CB 0.319 30.166 29.762 0.143 0.000 1.393 354 H HN 0.760 nan 8.280 nan 0.000 0.422 355 Y N 0.653 120.950 120.300 -0.005 0.000 2.519 355 Y HA 0.341 4.891 4.550 -0.000 0.000 0.336 355 Y C -1.515 174.275 175.900 -0.183 0.000 1.089 355 Y CA -1.181 56.842 58.100 -0.130 0.000 1.025 355 Y CB 1.542 39.896 38.460 -0.177 0.000 1.318 355 Y HN 0.102 nan 8.280 nan 0.000 0.452 356 M N 7.473 126.360 119.600 -1.188 0.000 2.206 356 M HA 0.232 4.711 4.480 -0.000 0.000 0.353 356 M C -0.421 175.305 176.300 -0.956 0.000 1.242 356 M CA -0.359 54.142 55.300 -1.331 0.000 1.179 356 M CB 0.816 32.670 32.600 -1.243 0.000 1.374 356 M HN 1.063 nan 8.290 nan 0.000 0.427 357 M N 2.785 122.119 119.600 -0.442 0.000 2.213 357 M HA 0.054 4.534 4.480 -0.000 0.000 0.263 357 M C 1.321 177.537 176.300 -0.140 0.000 1.062 357 M CA 1.265 56.544 55.300 -0.035 0.000 1.105 357 M CB -0.417 32.224 32.600 0.068 0.000 1.385 357 M HN 0.743 nan 8.290 nan 0.000 0.417 358 G N -1.141 107.465 108.800 -0.323 0.000 2.570 358 G HA2 0.499 4.458 3.960 -0.000 0.000 0.276 358 G HA3 0.499 4.458 3.960 -0.000 0.000 0.276 358 G C 0.154 174.918 174.900 -0.227 0.000 1.346 358 G CA -0.087 44.869 45.100 -0.239 0.000 1.034 358 G HN 0.649 nan 8.290 nan 0.000 0.512 359 G N -1.961 106.745 108.800 -0.157 0.000 2.350 359 G HA2 0.239 4.199 3.960 -0.000 0.000 0.282 359 G HA3 0.239 4.199 3.960 -0.000 0.000 0.282 359 G C -0.877 173.969 174.900 -0.089 0.000 1.314 359 G CA -0.719 44.306 45.100 -0.126 0.000 0.915 359 G HN 0.740 nan 8.290 nan 0.000 0.499 360 I N 3.177 123.700 120.570 -0.079 0.000 2.517 360 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 360 I C -1.565 174.491 176.117 -0.102 0.000 1.106 360 I CA -1.361 59.895 61.300 -0.072 0.000 1.402 360 I CB 1.236 39.201 38.000 -0.058 0.000 1.399 360 I HN 0.190 nan 8.210 nan 0.000 0.535 361 P HA 0.087 nan 4.420 nan 0.000 0.271 361 P C -0.515 176.694 177.300 -0.151 0.000 1.220 361 P CA -0.064 62.944 63.100 -0.153 0.000 0.768 361 P CB 0.751 32.361 31.700 -0.149 0.000 0.848 362 T N 0.173 114.621 114.554 -0.176 0.000 2.887 362 T HA 0.562 4.912 4.350 -0.000 0.000 0.292 362 T C -0.132 174.457 174.700 -0.184 0.000 1.087 362 T CA -0.963 61.035 62.100 -0.170 0.000 1.009 362 T CB 1.764 70.538 68.868 -0.156 0.000 1.203 362 T HN 0.158 nan 8.240 nan 0.000 0.518 363 K N 0.218 120.520 120.400 -0.164 0.000 2.148 363 K HA 0.549 4.869 4.320 -0.000 0.000 0.239 363 K C 1.336 177.836 176.600 -0.167 0.000 1.018 363 K CA -0.899 55.293 56.287 -0.159 0.000 0.923 363 K CB 0.789 33.204 32.500 -0.141 0.000 1.117 363 K HN 0.308 nan 8.250 nan 0.000 0.477 364 V N 0.931 120.744 119.914 -0.169 0.000 2.469 364 V HA -0.262 3.857 4.120 -0.000 0.000 0.251 364 V C 2.284 178.337 176.094 -0.069 0.000 1.064 364 V CA 2.461 64.683 62.300 -0.131 0.000 1.066 364 V CB -1.062 30.573 31.823 -0.312 0.000 0.667 364 V HN 1.046 nan 8.190 nan 0.000 0.461 365 T N -2.545 111.929 114.554 -0.134 0.000 3.051 365 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 365 T C 1.654 176.448 174.700 0.157 0.000 1.127 365 T CA 1.330 63.411 62.100 -0.031 0.000 1.107 365 T CB 0.156 68.980 68.868 -0.074 0.000 0.898 365 T HN 0.984 nan 8.240 nan 0.000 0.517 366 G N 0.602 109.460 108.800 0.097 0.000 2.241 366 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 366 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 366 G C -0.023 174.935 174.900 0.097 0.000 0.998 366 G CA -0.029 45.166 45.100 0.159 0.000 0.621 366 G HN 0.680 nan 8.290 nan 0.000 0.519 367 Q N 1.094 120.856 119.800 -0.063 0.000 2.283 367 Q HA 0.467 4.807 4.340 -0.000 0.000 0.301 367 Q C 0.780 176.594 176.000 -0.310 0.000 1.063 367 Q CA 0.391 55.914 55.803 -0.467 0.000 0.952 367 Q CB 0.763 29.270 28.738 -0.384 0.000 1.166 367 Q HN 0.865 nan 8.270 nan 0.000 0.381 368 A N 3.723 126.333 122.820 -0.350 0.000 2.371 368 A HA 0.510 4.829 4.320 -0.000 0.000 0.257 368 A C -0.506 176.965 177.584 -0.187 0.000 1.089 368 A CA -0.410 51.502 52.037 -0.209 0.000 0.794 368 A CB 0.421 19.323 19.000 -0.162 0.000 1.029 368 A HN 0.694 nan 8.150 nan 0.000 0.488 369 L N 0.800 121.938 121.223 -0.142 0.000 2.333 369 L HA 0.713 5.053 4.340 -0.000 0.000 0.269 369 L C 0.581 177.393 176.870 -0.096 0.000 1.010 369 L CA -0.418 54.350 54.840 -0.120 0.000 0.818 369 L CB 2.227 44.218 42.059 -0.113 0.000 1.306 369 L HN 0.839 nan 8.230 nan 0.000 0.430 370 T N 0.467 114.971 114.554 -0.083 0.000 2.693 370 T HA 0.789 5.139 4.350 -0.000 0.000 0.278 370 T C -1.333 173.330 174.700 -0.061 0.000 0.994 370 T CA -0.397 61.662 62.100 -0.069 0.000 1.033 370 T CB 1.876 70.705 68.868 -0.065 0.000 1.342 370 T HN 0.480 nan 8.240 nan 0.000 0.538 371 V N 1.399 121.280 119.914 -0.055 0.000 3.040 371 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 371 V C -0.545 175.521 176.094 -0.046 0.000 1.115 371 V CA -1.188 61.084 62.300 -0.047 0.000 0.998 371 V CB 1.577 33.375 31.823 -0.041 0.000 1.042 371 V HN 1.056 nan 8.190 nan 0.000 0.433 372 N N 1.072 119.749 118.700 -0.039 0.000 2.538 372 N HA 0.284 5.024 4.740 -0.000 0.000 0.292 372 N C 0.870 176.359 175.510 -0.034 0.000 1.262 372 N CA -0.143 52.885 53.050 -0.036 0.000 0.976 372 N CB 0.073 38.541 38.487 -0.032 0.000 1.161 372 N HN 0.861 nan 8.380 nan 0.000 0.598 373 E N -0.208 119.973 120.200 -0.031 0.000 2.130 373 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 373 E C 0.731 177.316 176.600 -0.025 0.000 0.998 373 E CA 1.255 57.638 56.400 -0.029 0.000 0.806 373 E CB -0.390 29.295 29.700 -0.025 0.000 0.738 373 E HN 0.571 nan 8.360 nan 0.000 0.459 374 K N 0.027 120.414 120.400 -0.023 0.000 2.486 374 K HA 0.061 4.381 4.320 -0.000 0.000 0.194 374 K C 1.075 177.664 176.600 -0.019 0.000 1.033 374 K CA 0.500 56.776 56.287 -0.019 0.000 1.004 374 K CB 0.308 32.797 32.500 -0.018 0.000 0.798 374 K HN 0.393 nan 8.250 nan 0.000 0.495 375 G N 2.057 110.844 108.800 -0.022 0.000 2.141 375 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.242 375 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.242 375 G C -0.451 174.437 174.900 -0.018 0.000 0.982 375 G CA -0.092 44.996 45.100 -0.020 0.000 0.662 375 G HN 0.379 nan 8.290 nan 0.000 0.527 376 E N 1.099 121.285 120.200 -0.022 0.000 2.301 376 E HA 0.388 4.738 4.350 -0.000 0.000 0.275 376 E C -0.323 176.259 176.600 -0.030 0.000 1.030 376 E CA -0.798 55.589 56.400 -0.023 0.000 0.852 376 E CB 0.723 30.409 29.700 -0.022 0.000 1.060 376 E HN 0.235 nan 8.360 nan 0.000 0.401 377 D N 1.492 121.873 120.400 -0.031 0.000 2.488 377 D HA 0.081 4.721 4.640 -0.000 0.000 0.238 377 D C -0.749 175.522 176.300 -0.049 0.000 1.138 377 D CA 0.429 54.402 54.000 -0.044 0.000 0.873 377 D CB 0.835 41.606 40.800 -0.047 0.000 1.183 377 D HN -0.028 nan 8.370 nan 0.000 0.458 378 V N 2.474 122.353 119.914 -0.058 0.000 2.668 378 V HA 0.120 4.240 4.120 -0.000 0.000 0.304 378 V C 0.177 176.224 176.094 -0.079 0.000 1.071 378 V CA -1.041 61.222 62.300 -0.061 0.000 0.894 378 V CB 2.118 33.909 31.823 -0.052 0.000 1.008 378 V HN 0.264 nan 8.190 nan 0.000 0.425 379 V N 4.790 124.649 119.914 -0.091 0.000 2.673 379 V HA 0.053 4.173 4.120 -0.000 0.000 0.303 379 V C 0.431 176.454 176.094 -0.118 0.000 1.046 379 V CA 0.012 62.237 62.300 -0.125 0.000 1.126 379 V CB 1.489 33.229 31.823 -0.138 0.000 0.934 379 V HN 0.641 nan 8.190 nan 0.000 0.487 380 V N 8.395 128.223 119.914 -0.143 0.000 2.387 380 V HA 0.170 4.290 4.120 -0.000 0.000 0.260 380 V C -1.990 174.018 176.094 -0.142 0.000 1.054 380 V CA -1.503 60.725 62.300 -0.121 0.000 0.967 380 V CB 0.520 32.275 31.823 -0.113 0.000 1.036 380 V HN 0.807 nan 8.190 nan 0.000 0.481 381 P HA 0.234 nan 4.420 nan 0.000 0.265 381 P C 1.072 178.353 177.300 -0.032 0.000 1.193 381 P CA 1.129 64.189 63.100 -0.067 0.000 0.765 381 P CB 0.703 32.389 31.700 -0.022 0.000 0.823 382 G N 1.024 109.836 108.800 0.020 0.000 2.199 382 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.254 382 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.254 382 G C -0.394 174.626 174.900 0.200 0.000 0.982 382 G CA -0.017 45.178 45.100 0.157 0.000 0.632 382 G HN 0.599 nan 8.290 nan 0.000 0.529 383 L N 0.597 121.793 121.223 -0.045 0.000 2.341 383 L HA 0.911 5.251 4.340 -0.000 0.000 0.278 383 L C -0.767 175.925 176.870 -0.296 0.000 1.005 383 L CA -1.345 53.483 54.840 -0.019 0.000 0.818 383 L CB 1.125 43.152 42.059 -0.053 0.000 1.259 383 L HN 0.061 nan 8.230 nan 0.000 0.418 384 F N 3.159 123.098 119.950 -0.018 0.000 2.613 384 F HA 0.887 5.414 4.527 -0.000 0.000 0.314 384 F C -0.096 175.688 175.800 -0.028 0.000 1.075 384 F CA -0.644 57.343 58.000 -0.021 0.000 0.945 384 F CB 2.255 41.250 39.000 -0.009 0.000 1.310 384 F HN 0.580 nan 8.300 nan 0.000 0.467 385 A N 1.178 124.082 122.820 0.140 0.000 2.517 385 A HA 0.824 5.144 4.320 -0.000 0.000 0.297 385 A C -1.674 175.943 177.584 0.056 0.000 1.050 385 A CA -0.737 51.337 52.037 0.062 0.000 0.694 385 A CB 1.544 20.543 19.000 -0.001 0.000 1.277 385 A HN 1.174 nan 8.150 nan 0.000 0.400 386 V N -0.467 119.481 119.914 0.056 0.000 2.971 386 V HA 1.008 5.128 4.120 -0.000 0.000 0.309 386 V C 0.384 176.524 176.094 0.076 0.000 1.130 386 V CA 0.178 62.526 62.300 0.081 0.000 0.964 386 V CB 0.853 32.747 31.823 0.118 0.000 1.029 386 V HN 2.950 nan 8.190 nan 0.000 0.427 387 G N 2.073 110.942 108.800 0.115 0.000 2.587 387 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.212 387 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.212 387 G C 0.505 175.470 174.900 0.109 0.000 1.327 387 G CA 0.772 45.951 45.100 0.131 0.000 0.898 387 G HN 1.434 nan 8.290 nan 0.000 0.551 388 E N -0.846 119.414 120.200 0.101 0.000 2.171 388 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 388 E C 2.512 179.046 176.600 -0.109 0.000 0.997 388 E CA 1.732 58.128 56.400 -0.006 0.000 0.810 388 E CB -0.139 29.502 29.700 -0.099 0.000 0.738 388 E HN 0.517 nan 8.360 nan 0.000 0.467 389 I N 0.592 121.124 120.570 -0.064 0.000 2.567 389 I HA -0.069 4.101 4.170 -0.000 0.000 0.257 389 I C 0.669 176.740 176.117 -0.078 0.000 1.184 389 I CA 0.588 61.841 61.300 -0.078 0.000 1.451 389 I CB -0.424 37.548 38.000 -0.046 0.000 1.089 389 I HN 0.083 nan 8.210 nan 0.000 0.441 390 A N -0.709 122.077 122.820 -0.057 0.000 2.264 390 A HA 0.513 4.833 4.320 -0.000 0.000 0.304 390 A C -0.380 177.146 177.584 -0.096 0.000 1.100 390 A CA -0.322 51.669 52.037 -0.078 0.000 0.839 390 A CB 0.700 19.652 19.000 -0.080 0.000 1.121 390 A HN 0.363 nan 8.150 nan 0.000 0.496 391 C N 2.486 121.707 119.300 -0.132 0.000 2.653 391 C HA 0.470 4.930 4.460 -0.000 0.000 0.291 391 C C 1.196 176.057 174.990 -0.215 0.000 1.064 391 C CA -0.407 58.525 59.018 -0.143 0.000 1.469 391 C CB -0.986 26.672 27.740 -0.136 0.000 1.861 391 C HN 0.639 nan 8.230 nan 0.000 0.434 392 V N 3.350 123.104 119.914 -0.267 0.000 2.453 392 V HA -0.000 4.120 4.120 -0.000 0.000 0.247 392 V C 1.506 177.439 176.094 -0.269 0.000 1.048 392 V CA 1.748 63.836 62.300 -0.355 0.000 1.049 392 V CB -0.257 31.178 31.823 -0.646 0.000 0.672 392 V HN 0.835 nan 8.190 nan 0.000 0.457 393 S N -0.040 115.543 115.700 -0.195 0.000 2.442 393 S HA 0.350 4.820 4.470 -0.000 0.000 0.297 393 S C 0.448 174.968 174.600 -0.133 0.000 1.131 393 S CA -0.298 57.816 58.200 -0.143 0.000 1.092 393 S CB 1.730 64.931 63.200 0.003 0.000 0.998 393 S HN 0.256 nan 8.310 nan 0.000 0.478 394 V N 2.950 122.678 119.914 -0.311 0.000 3.621 394 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 394 V C 0.870 176.784 176.094 -0.301 0.000 1.346 394 V CA 0.278 62.396 62.300 -0.304 0.000 1.104 394 V CB -0.753 30.904 31.823 -0.276 0.000 0.913 394 V HN 0.929 nan 8.190 nan 0.000 0.432 395 H N 0.459 119.572 119.070 0.073 0.000 3.241 395 H HA 0.459 5.015 4.556 -0.000 0.000 0.260 395 H C 1.802 177.169 175.328 0.065 0.000 1.084 395 H CA 0.248 56.335 56.048 0.066 0.000 1.203 395 H CB 0.769 30.581 29.762 0.083 0.000 1.524 395 H HN 0.498 nan 8.280 nan 0.000 0.521 396 G N 1.648 110.546 108.800 0.164 0.000 2.651 396 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.315 396 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.315 396 G C 1.228 176.206 174.900 0.130 0.000 1.258 396 G CA 1.573 46.756 45.100 0.138 0.000 1.002 396 G HN 0.584 nan 8.290 nan 0.000 0.551 397 A N 0.149 123.026 122.820 0.096 0.000 2.275 397 A HA 0.551 4.871 4.320 -0.000 0.000 0.212 397 A C 0.780 178.424 177.584 0.101 0.000 1.201 397 A CA 1.568 53.662 52.037 0.095 0.000 0.843 397 A CB -0.248 18.803 19.000 0.085 0.000 0.873 397 A HN 1.783 nan 8.150 nan 0.000 0.492 398 N N -0.862 117.898 118.700 0.099 0.000 2.839 398 N HA 0.145 4.885 4.740 -0.000 0.000 0.258 398 N C -0.986 174.568 175.510 0.074 0.000 1.150 398 N CA -0.410 52.692 53.050 0.087 0.000 0.957 398 N CB 0.814 39.345 38.487 0.073 0.000 1.560 398 N HN 0.250 nan 8.380 nan 0.000 0.588 399 R N 3.737 124.255 120.500 0.030 0.000 2.441 399 R HA 0.423 4.763 4.340 -0.000 0.000 0.284 399 R C -0.492 175.782 176.300 -0.043 0.000 1.070 399 R CA -0.401 55.658 56.100 -0.067 0.000 1.047 399 R CB 0.573 30.594 30.300 -0.464 0.000 1.016 399 R HN 0.546 nan 8.270 nan 0.000 0.477 400 L N 3.283 124.519 121.223 0.021 0.000 2.349 400 L HA 0.260 4.600 4.340 -0.000 0.000 0.275 400 L C 1.056 177.969 176.870 0.072 0.000 1.115 400 L CA -0.435 54.444 54.840 0.066 0.000 0.820 400 L CB 1.168 43.313 42.059 0.144 0.000 1.135 400 L HN 0.854 nan 8.230 nan 0.000 0.445 401 G N 1.194 110.092 108.800 0.163 0.000 2.321 401 G HA2 0.303 4.263 3.960 -0.000 0.000 0.237 401 G HA3 0.303 4.263 3.960 -0.000 0.000 0.237 401 G C 0.990 176.016 174.900 0.211 0.000 1.282 401 G CA 0.470 45.783 45.100 0.355 0.000 0.886 401 G HN 1.069 nan 8.290 nan 0.000 0.528 402 G N 2.275 111.094 108.800 0.032 0.000 2.268 402 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.240 402 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.240 402 G C 1.232 176.125 174.900 -0.012 0.000 1.010 402 G CA 0.664 45.682 45.100 -0.137 0.000 0.618 402 G HN 0.692 nan 8.290 nan 0.000 0.516 403 N N 0.596 119.325 118.700 0.048 0.000 2.494 403 N HA 0.142 4.881 4.740 -0.000 0.000 0.182 403 N C 2.100 177.694 175.510 0.140 0.000 1.076 403 N CA 1.396 54.536 53.050 0.150 0.000 0.908 403 N CB 0.040 38.672 38.487 0.242 0.000 0.967 403 N HN 0.479 nan 8.380 nan 0.000 0.449 404 S N 0.123 115.798 115.700 -0.041 0.000 2.348 404 S HA 0.128 4.598 4.470 -0.000 0.000 0.219 404 S C 1.819 176.480 174.600 0.101 0.000 1.033 404 S CA 0.348 58.538 58.200 -0.016 0.000 0.974 404 S CB -0.190 62.898 63.200 -0.186 0.000 0.868 404 S HN 0.192 nan 8.310 nan 0.000 0.459 405 L N 1.175 122.435 121.223 0.062 0.000 2.081 405 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 405 L C 2.542 179.465 176.870 0.088 0.000 1.080 405 L CA 1.116 55.998 54.840 0.070 0.000 0.754 405 L CB -0.655 41.429 42.059 0.042 0.000 0.893 405 L HN 0.380 nan 8.230 nan 0.000 0.433 406 L N 0.512 121.794 121.223 0.098 0.000 2.017 406 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 406 L C 2.221 179.164 176.870 0.120 0.000 1.073 406 L CA 2.173 57.072 54.840 0.098 0.000 0.745 406 L CB -0.691 41.444 42.059 0.127 0.000 0.894 406 L HN 0.274 nan 8.230 nan 0.000 0.432 407 D N -0.479 120.061 120.400 0.233 0.000 2.106 407 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 407 D C 2.163 178.658 176.300 0.325 0.000 0.997 407 D CA 2.226 56.462 54.000 0.394 0.000 0.834 407 D CB -0.354 40.752 40.800 0.509 0.000 0.956 407 D HN 0.455 nan 8.370 nan 0.000 0.448 408 L N -0.181 121.180 121.223 0.229 0.000 1.997 408 L HA -0.225 4.115 4.340 -0.000 0.000 0.216 408 L C 2.795 179.736 176.870 0.119 0.000 1.074 408 L CA 1.359 56.299 54.840 0.168 0.000 0.763 408 L CB -0.869 41.259 42.059 0.115 0.000 0.890 408 L HN 0.064 nan 8.230 nan 0.000 0.434 409 V N -0.849 119.109 119.914 0.073 0.000 2.283 409 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 409 V C 2.433 178.517 176.094 -0.017 0.000 1.039 409 V CA 1.353 63.668 62.300 0.025 0.000 1.016 409 V CB -0.153 31.677 31.823 0.011 0.000 0.650 409 V HN 0.165 nan 8.190 nan 0.000 0.449 410 V N -0.466 119.395 119.914 -0.088 0.000 2.255 410 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 410 V C 2.205 178.155 176.094 -0.240 0.000 1.051 410 V CA 2.322 64.468 62.300 -0.256 0.000 1.018 410 V CB -0.702 30.830 31.823 -0.486 0.000 0.641 410 V HN 0.462 nan 8.190 nan 0.000 0.445 411 F N 0.927 120.956 119.950 0.132 0.000 2.293 411 F HA 0.158 4.684 4.527 -0.000 0.000 0.297 411 F C 2.354 178.207 175.800 0.089 0.000 1.089 411 F CA 0.905 58.978 58.000 0.122 0.000 1.377 411 F CB -1.344 37.712 39.000 0.094 0.000 1.051 411 F HN 0.165 nan 8.300 nan 0.000 0.511 412 G N -0.060 108.859 108.800 0.199 0.000 2.446 412 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 412 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 412 G C 1.850 176.795 174.900 0.076 0.000 1.168 412 G CA 0.834 46.002 45.100 0.114 0.000 0.771 412 G HN 0.235 nan 8.290 nan 0.000 0.551 413 R N 0.424 120.954 120.500 0.050 0.000 2.081 413 R HA 0.022 4.362 4.340 -0.000 0.000 0.235 413 R C 2.917 179.247 176.300 0.050 0.000 1.131 413 R CA 1.419 57.532 56.100 0.020 0.000 0.960 413 R CB -0.352 29.941 30.300 -0.012 0.000 0.856 413 R HN 0.310 nan 8.270 nan 0.000 0.436 414 A N 0.629 123.522 122.820 0.121 0.000 1.902 414 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 414 A C 2.336 180.056 177.584 0.228 0.000 1.181 414 A CA 1.681 53.850 52.037 0.219 0.000 0.623 414 A CB -0.790 18.392 19.000 0.302 0.000 0.818 414 A HN 0.520 nan 8.150 nan 0.000 0.443 415 A N -0.494 122.440 122.820 0.190 0.000 1.902 415 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 415 A C 2.402 180.012 177.584 0.045 0.000 1.181 415 A CA 1.988 54.117 52.037 0.153 0.000 0.623 415 A CB -1.367 17.713 19.000 0.133 0.000 0.818 415 A HN 0.725 nan 8.150 nan 0.000 0.443 416 G N -0.229 108.576 108.800 0.008 0.000 2.421 416 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.216 416 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.216 416 G C 1.545 176.410 174.900 -0.058 0.000 1.171 416 G CA 0.996 46.070 45.100 -0.043 0.000 0.775 416 G HN 0.428 nan 8.290 nan 0.000 0.543 417 L N -0.266 120.906 121.223 -0.084 0.000 2.083 417 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 417 L C 2.340 179.051 176.870 -0.265 0.000 1.083 417 L CA 0.951 55.663 54.840 -0.212 0.000 0.752 417 L CB -0.267 41.587 42.059 -0.342 0.000 0.899 417 L HN 0.285 nan 8.230 nan 0.000 0.433 418 H N -1.532 117.548 119.070 0.015 0.000 2.551 418 H HA 0.074 4.630 4.556 -0.000 0.000 0.271 418 H C 1.892 177.236 175.328 0.026 0.000 0.984 418 H CA 0.022 56.087 56.048 0.027 0.000 1.164 418 H CB 0.660 30.448 29.762 0.043 0.000 1.437 418 H HN 0.186 nan 8.280 nan 0.000 0.550 419 L N 1.151 122.403 121.223 0.048 0.000 2.079 419 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 419 L C 2.464 179.336 176.870 0.002 0.000 1.081 419 L CA 1.645 56.460 54.840 -0.041 0.000 0.752 419 L CB -0.244 41.719 42.059 -0.160 0.000 0.896 419 L HN 0.169 nan 8.230 nan 0.000 0.433 420 Q N -0.978 118.828 119.800 0.010 0.000 2.079 420 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 420 Q C 2.115 178.147 176.000 0.052 0.000 0.974 420 Q CA 1.860 57.675 55.803 0.020 0.000 0.840 420 Q CB -0.007 28.736 28.738 0.008 0.000 0.898 420 Q HN 0.601 nan 8.270 nan 0.000 0.430 421 E N -0.338 119.909 120.200 0.077 0.000 2.051 421 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 421 E C 2.123 178.785 176.600 0.103 0.000 0.991 421 E CA 1.334 57.787 56.400 0.090 0.000 0.799 421 E CB 0.067 29.839 29.700 0.119 0.000 0.748 421 E HN 0.156 nan 8.360 nan 0.000 0.449 422 S N 0.719 116.510 115.700 0.152 0.000 2.368 422 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 422 S C 2.023 176.745 174.600 0.204 0.000 1.030 422 S CA 0.874 59.202 58.200 0.214 0.000 0.999 422 S CB -0.166 63.300 63.200 0.443 0.000 0.844 422 S HN 0.200 nan 8.310 nan 0.000 0.459 423 I N 1.432 122.101 120.570 0.165 0.000 2.315 423 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 423 I C 2.623 178.789 176.117 0.082 0.000 1.117 423 I CA 0.958 62.333 61.300 0.126 0.000 1.404 423 I CB -0.387 37.656 38.000 0.072 0.000 1.071 423 I HN 0.269 nan 8.210 nan 0.000 0.419 424 A N 0.232 123.091 122.820 0.066 0.000 1.898 424 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 424 A C 2.318 179.928 177.584 0.043 0.000 1.181 424 A CA 1.748 53.812 52.037 0.046 0.000 0.620 424 A CB -0.599 18.424 19.000 0.038 0.000 0.819 424 A HN 0.484 nan 8.150 nan 0.000 0.442 425 E N 0.297 120.527 120.200 0.049 0.000 2.110 425 E HA -0.292 4.057 4.350 -0.000 0.000 0.193 425 E C 2.170 178.785 176.600 0.026 0.000 0.988 425 E CA 1.495 57.914 56.400 0.033 0.000 0.804 425 E CB -0.218 29.501 29.700 0.031 0.000 0.745 425 E HN 0.880 nan 8.360 nan 0.000 0.458 426 Q N 0.065 119.889 119.800 0.040 0.000 2.369 426 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 426 Q C 0.986 177.002 176.000 0.027 0.000 0.963 426 Q CA 0.709 56.528 55.803 0.027 0.000 0.894 426 Q CB -0.010 28.753 28.738 0.042 0.000 0.965 426 Q HN 0.232 nan 8.270 nan 0.000 0.475 427 G N 1.192 110.011 108.800 0.032 0.000 2.796 427 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 427 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 427 G C -0.270 174.648 174.900 0.030 0.000 1.381 427 G CA -0.282 44.833 45.100 0.026 0.000 0.867 427 G HN 0.871 nan 8.290 nan 0.000 0.552 428 A N -0.488 122.346 122.820 0.024 0.000 2.477 428 A HA 0.577 4.897 4.320 -0.000 0.000 0.246 428 A C 0.715 178.315 177.584 0.027 0.000 1.078 428 A CA 0.266 52.318 52.037 0.025 0.000 0.770 428 A CB 0.018 19.029 19.000 0.018 0.000 1.011 428 A HN 1.227 nan 8.150 nan 0.000 0.494 429 L N 2.838 124.081 121.223 0.035 0.000 2.295 429 L HA 0.434 4.774 4.340 -0.000 0.000 0.285 429 L C 0.941 177.832 176.870 0.036 0.000 1.035 429 L CA -0.587 54.275 54.840 0.038 0.000 0.806 429 L CB 1.093 43.184 42.059 0.052 0.000 1.214 429 L HN 0.864 nan 8.230 nan 0.000 0.426 430 R N 1.526 122.044 120.500 0.030 0.000 2.643 430 R HA 0.041 4.381 4.340 -0.000 0.000 0.270 430 R C -0.508 175.817 176.300 0.041 0.000 1.061 430 R CA -0.551 55.567 56.100 0.029 0.000 1.107 430 R CB 0.556 30.868 30.300 0.020 0.000 0.999 430 R HN 0.509 nan 8.270 nan 0.000 0.460 431 D N 1.532 121.957 120.400 0.043 0.000 2.423 431 D HA 0.068 4.708 4.640 -0.000 0.000 0.238 431 D C -0.336 175.998 176.300 0.057 0.000 1.142 431 D CA 0.460 54.498 54.000 0.062 0.000 0.884 431 D CB 0.915 41.747 40.800 0.053 0.000 1.199 431 D HN 0.616 nan 8.370 nan 0.000 0.438 432 A N 1.742 124.611 122.820 0.081 0.000 2.440 432 A HA 0.380 4.700 4.320 -0.000 0.000 0.251 432 A C 0.692 178.278 177.584 0.004 0.000 1.089 432 A CA -0.398 51.650 52.037 0.018 0.000 0.779 432 A CB 0.089 19.059 19.000 -0.051 0.000 1.022 432 A HN 0.523 nan 8.150 nan 0.000 0.492 433 S N 1.092 116.781 115.700 -0.020 0.000 2.624 433 S HA 0.225 4.695 4.470 -0.000 0.000 0.263 433 S C 0.935 175.510 174.600 -0.041 0.000 1.287 433 S CA 0.400 58.589 58.200 -0.019 0.000 0.990 433 S CB 0.915 64.105 63.200 -0.017 0.000 0.950 433 S HN 0.801 nan 8.310 nan 0.000 0.561 434 E N 1.306 121.491 120.200 -0.026 0.000 2.118 434 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 434 E C 2.038 178.611 176.600 -0.044 0.000 0.992 434 E CA 2.106 58.488 56.400 -0.030 0.000 0.804 434 E CB -0.633 29.060 29.700 -0.012 0.000 0.741 434 E HN 0.782 nan 8.360 nan 0.000 0.458 435 S N -0.409 115.269 115.700 -0.036 0.000 2.428 435 S HA -0.107 4.362 4.470 -0.000 0.000 0.230 435 S C 1.545 176.115 174.600 -0.051 0.000 1.014 435 S CA 0.985 59.164 58.200 -0.036 0.000 0.957 435 S CB -0.260 62.925 63.200 -0.024 0.000 0.784 435 S HN 0.227 nan 8.310 nan 0.000 0.499 436 D N 1.624 121.986 120.400 -0.064 0.000 2.117 436 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 436 D C 2.118 178.341 176.300 -0.127 0.000 0.987 436 D CA 1.243 55.194 54.000 -0.082 0.000 0.829 436 D CB -0.345 40.405 40.800 -0.085 0.000 0.961 436 D HN 0.376 nan 8.370 nan 0.000 0.460 437 V N 0.881 120.690 119.914 -0.176 0.000 2.379 437 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 437 V C 2.426 178.450 176.094 -0.117 0.000 1.044 437 V CA 1.416 63.573 62.300 -0.239 0.000 1.036 437 V CB -0.391 31.252 31.823 -0.301 0.000 0.664 437 V HN 0.039 nan 8.190 nan 0.000 0.453 438 E N 0.814 120.970 120.200 -0.073 0.000 2.110 438 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 438 E C 2.158 178.743 176.600 -0.025 0.000 0.988 438 E CA 1.474 57.854 56.400 -0.034 0.000 0.804 438 E CB -0.513 29.173 29.700 -0.023 0.000 0.745 438 E HN 0.521 nan 8.360 nan 0.000 0.458 439 A N -0.218 122.582 122.820 -0.034 0.000 1.940 439 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 439 A C 2.332 179.909 177.584 -0.011 0.000 1.176 439 A CA 1.871 53.895 52.037 -0.022 0.000 0.631 439 A CB -0.654 18.329 19.000 -0.028 0.000 0.814 439 A HN 0.247 nan 8.150 nan 0.000 0.446 440 S N -0.645 115.044 115.700 -0.019 0.000 2.547 440 S HA 0.075 4.545 4.470 -0.000 0.000 0.235 440 S C 1.312 175.933 174.600 0.036 0.000 0.980 440 S CA 0.851 59.054 58.200 0.005 0.000 0.941 440 S CB -0.246 62.948 63.200 -0.010 0.000 0.763 440 S HN 0.538 nan 8.310 nan 0.000 0.532 441 L N 0.231 121.472 121.223 0.031 0.000 2.616 441 L HA 0.152 4.492 4.340 -0.000 0.000 0.229 441 L C 1.359 178.261 176.870 0.052 0.000 1.110 441 L CA 0.049 54.921 54.840 0.052 0.000 0.884 441 L CB -0.224 41.861 42.059 0.043 0.000 1.115 441 L HN 0.056 nan 8.230 nan 0.000 0.481 442 D N 1.045 121.465 120.400 0.034 0.000 2.116 442 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 442 D C 2.114 178.435 176.300 0.034 0.000 0.998 442 D CA 1.263 55.276 54.000 0.022 0.000 0.836 442 D CB -0.012 40.791 40.800 0.004 0.000 0.951 442 D HN 0.203 nan 8.370 nan 0.000 0.449 443 R N 0.139 120.676 120.500 0.062 0.000 2.083 443 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 443 R C 2.309 178.733 176.300 0.206 0.000 1.137 443 R CA 0.924 57.087 56.100 0.104 0.000 0.951 443 R CB -0.403 29.980 30.300 0.138 0.000 0.851 443 R HN 0.156 nan 8.270 nan 0.000 0.434 444 L N 1.377 122.717 121.223 0.195 0.000 2.093 444 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 444 L C 1.393 178.366 176.870 0.173 0.000 1.085 444 L CA 1.776 56.745 54.840 0.214 0.000 0.755 444 L CB -0.533 41.610 42.059 0.140 0.000 0.904 444 L HN 0.197 nan 8.230 nan 0.000 0.435 445 N N -0.183 118.578 118.700 0.102 0.000 2.188 445 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 445 N C 1.952 177.488 175.510 0.043 0.000 1.018 445 N CA 1.079 54.168 53.050 0.064 0.000 0.858 445 N CB -0.377 38.131 38.487 0.035 0.000 0.989 445 N HN 0.415 nan 8.380 nan 0.000 0.426 446 R N 0.030 120.532 120.500 0.003 0.000 2.073 446 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 446 R C 1.917 178.159 176.300 -0.097 0.000 1.134 446 R CA 1.375 57.416 56.100 -0.098 0.000 0.952 446 R CB -0.286 29.888 30.300 -0.209 0.000 0.850 446 R HN 0.255 nan 8.270 nan 0.000 0.433 447 W N 1.279 122.572 121.300 -0.013 0.000 2.333 447 W HA -0.166 4.494 4.660 -0.000 0.000 0.316 447 W C 2.070 178.578 176.519 -0.019 0.000 1.215 447 W CA 0.797 58.131 57.345 -0.019 0.000 1.278 447 W CB -0.510 28.934 29.460 -0.026 0.000 1.154 447 W HN 0.192 nan 8.180 nan 0.000 0.486 448 N N -0.066 118.764 118.700 0.216 0.000 2.364 448 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 448 N C 0.669 176.224 175.510 0.074 0.000 1.022 448 N CA 1.367 54.487 53.050 0.118 0.000 0.883 448 N CB -0.612 37.923 38.487 0.081 0.000 0.965 448 N HN 0.423 nan 8.380 nan 0.000 0.438 449 N N -0.530 118.202 118.700 0.054 0.000 2.254 449 N HA 0.024 4.764 4.740 -0.000 0.000 0.190 449 N C -0.222 175.291 175.510 0.006 0.000 1.107 449 N CA -0.155 52.907 53.050 0.020 0.000 0.869 449 N CB 0.374 38.863 38.487 0.003 0.000 0.983 449 N HN 0.032 nan 8.380 nan 0.000 0.487 450 N N 1.510 120.215 118.700 0.008 0.000 2.437 450 N HA 0.135 4.875 4.740 -0.000 0.000 0.243 450 N C 0.202 175.731 175.510 0.032 0.000 1.041 450 N CA 0.035 53.079 53.050 -0.010 0.000 0.940 450 N CB 0.522 38.960 38.487 -0.082 0.000 1.133 450 N HN 0.062 nan 8.380 nan 0.000 0.506 451 R N 2.224 122.736 120.500 0.020 0.000 2.175 451 R HA 0.192 4.532 4.340 -0.000 0.000 0.202 451 R C 0.262 176.574 176.300 0.020 0.000 1.018 451 R CA 0.494 56.610 56.100 0.027 0.000 1.029 451 R CB 0.128 30.439 30.300 0.019 0.000 0.959 451 R HN 0.500 nan 8.270 nan 0.000 0.480 452 N N 0.144 118.848 118.700 0.006 0.000 2.187 452 N HA 0.098 4.837 4.740 -0.000 0.000 0.212 452 N C 0.711 176.220 175.510 -0.002 0.000 1.152 452 N CA 0.192 53.244 53.050 0.003 0.000 0.872 452 N CB 0.988 39.474 38.487 -0.002 0.000 1.025 452 N HN 0.105 nan 8.380 nan 0.000 0.514 453 G N 0.048 108.843 108.800 -0.008 0.000 2.504 453 G HA2 0.147 4.107 3.960 -0.000 0.000 0.257 453 G HA3 0.147 4.107 3.960 -0.000 0.000 0.257 453 G C -0.017 174.884 174.900 0.001 0.000 1.451 453 G CA -0.351 44.738 45.100 -0.018 0.000 1.059 453 G HN 0.055 nan 8.290 nan 0.000 0.550 454 E N -0.140 120.058 120.200 -0.003 0.000 2.390 454 E HA 0.060 4.410 4.350 -0.000 0.000 0.261 454 E C -0.677 175.951 176.600 0.048 0.000 1.076 454 E CA -0.333 56.076 56.400 0.016 0.000 0.905 454 E CB 0.820 30.524 29.700 0.007 0.000 0.984 454 E HN 0.313 nan 8.360 nan 0.000 0.427 455 D N 3.352 123.779 120.400 0.046 0.000 2.382 455 D HA -0.013 4.627 4.640 -0.000 0.000 0.259 455 D C -1.580 174.766 176.300 0.076 0.000 1.224 455 D CA -1.701 52.334 54.000 0.058 0.000 0.894 455 D CB 0.939 41.762 40.800 0.039 0.000 1.127 455 D HN 0.145 nan 8.370 nan 0.000 0.487 456 P HA -0.107 nan 4.420 nan 0.000 0.226 456 P C 1.489 178.832 177.300 0.071 0.000 1.153 456 P CA 0.248 63.427 63.100 0.132 0.000 0.777 456 P CB 0.438 32.242 31.700 0.174 0.000 0.794 457 V N 1.069 121.011 119.914 0.047 0.000 2.343 457 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 457 V C 2.815 178.927 176.094 0.029 0.000 1.051 457 V CA 2.264 64.582 62.300 0.030 0.000 1.036 457 V CB -1.615 30.221 31.823 0.023 0.000 0.654 457 V HN 0.117 nan 8.190 nan 0.000 0.451 458 A N -0.197 122.641 122.820 0.031 0.000 1.898 458 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 458 A C 2.184 179.781 177.584 0.023 0.000 1.181 458 A CA 1.714 53.765 52.037 0.024 0.000 0.620 458 A CB -0.510 18.504 19.000 0.022 0.000 0.819 458 A HN 0.492 nan 8.150 nan 0.000 0.442 459 I N -0.889 119.701 120.570 0.034 0.000 2.163 459 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 459 I C 2.733 178.866 176.117 0.026 0.000 1.085 459 I CA 1.821 63.141 61.300 0.034 0.000 1.347 459 I CB -0.325 37.709 38.000 0.057 0.000 1.044 459 I HN 0.387 nan 8.210 nan 0.000 0.408 460 R N 1.468 121.986 120.500 0.031 0.000 2.083 460 R HA -0.221 4.119 4.340 -0.000 0.000 0.237 460 R C 2.279 178.580 176.300 0.002 0.000 1.137 460 R CA 1.783 57.893 56.100 0.017 0.000 0.951 460 R CB -0.089 30.224 30.300 0.022 0.000 0.851 460 R HN 0.266 nan 8.270 nan 0.000 0.434 461 K N -0.117 120.287 120.400 0.006 0.000 2.057 461 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 461 K C 2.121 178.708 176.600 -0.022 0.000 1.049 461 K CA 1.464 57.749 56.287 -0.002 0.000 0.931 461 K CB -0.180 32.324 32.500 0.008 0.000 0.714 461 K HN 0.254 nan 8.250 nan 0.000 0.440 462 A N 1.619 124.428 122.820 -0.018 0.000 1.908 462 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 462 A C 2.119 179.678 177.584 -0.043 0.000 1.181 462 A CA 1.284 53.303 52.037 -0.030 0.000 0.627 462 A CB -0.650 18.343 19.000 -0.012 0.000 0.818 462 A HN 0.350 nan 8.150 nan 0.000 0.445 463 L N -0.709 120.493 121.223 -0.035 0.000 1.994 463 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 463 L C 2.696 179.509 176.870 -0.094 0.000 1.071 463 L CA 2.139 56.947 54.840 -0.052 0.000 0.745 463 L CB -0.497 41.537 42.059 -0.041 0.000 0.892 463 L HN 0.486 nan 8.230 nan 0.000 0.431 464 Q N -0.408 119.340 119.800 -0.087 0.000 2.084 464 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 464 Q C 2.114 178.063 176.000 -0.085 0.000 0.978 464 Q CA 2.066 57.810 55.803 -0.099 0.000 0.844 464 Q CB -0.193 28.519 28.738 -0.043 0.000 0.898 464 Q HN 0.604 nan 8.270 nan 0.000 0.426 465 E N 0.122 120.261 120.200 -0.102 0.000 2.077 465 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 465 E C 2.103 178.534 176.600 -0.281 0.000 0.989 465 E CA 1.066 57.337 56.400 -0.214 0.000 0.800 465 E CB -0.110 29.435 29.700 -0.259 0.000 0.746 465 E HN 0.383 nan 8.360 nan 0.000 0.452 466 C N 0.672 119.883 119.300 -0.148 0.000 2.413 466 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 466 C C 2.646 177.688 174.990 0.087 0.000 1.236 466 C CA 0.913 59.910 59.018 -0.036 0.000 1.735 466 C CB -0.777 26.975 27.740 0.020 0.000 2.031 466 C HN 0.504 nan 8.230 nan 0.000 0.474 467 M N 0.079 119.676 119.600 -0.004 0.000 2.117 467 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 467 M C 2.083 178.488 176.300 0.176 0.000 1.065 467 M CA 1.629 56.901 55.300 -0.047 0.000 1.114 467 M CB -1.842 30.334 32.600 -0.708 0.000 1.361 467 M HN 0.455 nan 8.290 nan 0.000 0.408 468 Q N -0.133 119.793 119.800 0.210 0.000 2.084 468 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 468 Q C 1.916 178.143 176.000 0.378 0.000 0.978 468 Q CA 1.810 57.855 55.803 0.403 0.000 0.844 468 Q CB -0.252 28.695 28.738 0.348 0.000 0.898 468 Q HN 0.660 nan 8.270 nan 0.000 0.426 469 H N -1.476 117.659 119.070 0.108 0.000 2.436 469 H HA 0.104 4.660 4.556 -0.000 0.000 0.294 469 H C 0.840 176.161 175.328 -0.013 0.000 1.048 469 H CA 0.798 56.876 56.048 0.048 0.000 1.353 469 H CB 0.524 30.306 29.762 0.032 0.000 1.414 469 H HN 0.284 nan 8.280 nan 0.000 0.536 470 N N -0.349 118.391 118.700 0.066 0.000 2.210 470 N HA 0.025 4.764 4.740 -0.000 0.000 0.203 470 N C -0.376 174.693 175.510 -0.735 0.000 1.175 470 N CA 0.308 53.157 53.050 -0.334 0.000 0.894 470 N CB 0.844 39.049 38.487 -0.470 0.000 1.041 470 N HN 0.172 nan 8.380 nan 0.000 0.506 471 F N 0.099 120.145 119.950 0.159 0.000 2.777 471 F HA 0.354 4.881 4.527 -0.000 0.000 0.361 471 F C 0.980 176.971 175.800 0.319 0.000 1.254 471 F CA -0.489 57.635 58.000 0.208 0.000 1.181 471 F CB 0.365 39.458 39.000 0.156 0.000 1.082 471 F HN -0.227 nan 8.300 nan 0.000 0.510 472 S N -0.496 115.335 115.700 0.219 0.000 2.397 472 S HA 0.309 4.779 4.470 -0.000 0.000 0.261 472 S C 1.735 176.042 174.600 -0.489 0.000 1.187 472 S CA -0.124 58.007 58.200 -0.116 0.000 1.023 472 S CB 0.521 63.648 63.200 -0.121 0.000 1.103 472 S HN -0.044 nan 8.310 nan 0.000 0.474 473 V N 0.409 119.777 119.914 -0.910 0.000 2.282 473 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 473 V C 0.397 176.050 176.094 -0.736 0.000 1.057 473 V CA 1.598 63.371 62.300 -0.879 0.000 1.032 473 V CB -0.730 30.588 31.823 -0.842 0.000 0.645 473 V HN 0.557 nan 8.190 nan 0.000 0.447 474 F N -0.628 119.164 119.950 -0.263 0.000 2.469 474 F HA 0.662 5.189 4.527 -0.000 0.000 0.332 474 F C 0.429 176.095 175.800 -0.224 0.000 1.103 474 F CA -0.809 57.013 58.000 -0.297 0.000 0.979 474 F CB 1.238 40.124 39.000 -0.190 0.000 1.137 474 F HN -0.155 nan 8.300 nan 0.000 0.463 475 R N 1.395 121.826 120.500 -0.116 0.000 2.740 475 R HA 0.528 4.868 4.340 -0.000 0.000 0.282 475 R C -1.076 175.204 176.300 -0.033 0.000 0.969 475 R CA -1.091 54.956 56.100 -0.088 0.000 0.918 475 R CB 2.667 32.901 30.300 -0.109 0.000 1.175 475 R HN 0.771 nan 8.270 nan 0.000 0.464 476 E N 0.385 120.599 120.200 0.023 0.000 2.256 476 E HA 0.365 4.715 4.350 -0.000 0.000 0.267 476 E C 0.176 176.800 176.600 0.041 0.000 0.892 476 E CA -0.969 55.482 56.400 0.085 0.000 0.775 476 E CB 1.822 31.597 29.700 0.126 0.000 1.207 476 E HN 0.562 nan 8.360 nan 0.000 0.420 477 G N 2.809 111.658 108.800 0.082 0.000 2.446 477 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.217 477 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.217 477 G C 0.775 175.719 174.900 0.072 0.000 1.168 477 G CA 1.139 46.302 45.100 0.104 0.000 0.771 477 G HN 0.641 nan 8.290 nan 0.000 0.551 478 D N 1.024 121.456 120.400 0.053 0.000 2.097 478 D HA -0.035 4.605 4.640 -0.000 0.000 0.195 478 D C 2.814 179.127 176.300 0.021 0.000 0.989 478 D CA 1.376 55.401 54.000 0.041 0.000 0.827 478 D CB -0.592 40.225 40.800 0.030 0.000 0.966 478 D HN 0.310 nan 8.370 nan 0.000 0.456 479 A N 0.423 123.240 122.820 -0.006 0.000 1.969 479 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 479 A C 2.244 179.760 177.584 -0.114 0.000 1.169 479 A CA 1.128 53.138 52.037 -0.045 0.000 0.635 479 A CB -0.477 18.488 19.000 -0.058 0.000 0.810 479 A HN 0.145 nan 8.150 nan 0.000 0.445 480 M N -0.755 118.763 119.600 -0.136 0.000 2.132 480 M HA -0.109 4.371 4.480 -0.000 0.000 0.263 480 M C 2.561 178.914 176.300 0.088 0.000 1.065 480 M CA 1.305 56.500 55.300 -0.174 0.000 1.122 480 M CB -0.421 32.149 32.600 -0.050 0.000 1.365 480 M HN 0.488 nan 8.290 nan 0.000 0.411 481 A N 0.535 123.409 122.820 0.089 0.000 1.902 481 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 481 A C 2.119 179.767 177.584 0.107 0.000 1.181 481 A CA 2.052 54.157 52.037 0.114 0.000 0.623 481 A CB -0.598 18.461 19.000 0.098 0.000 0.818 481 A HN 0.450 nan 8.150 nan 0.000 0.443 482 K N -0.647 119.799 120.400 0.077 0.000 2.057 482 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 482 K C 2.045 178.705 176.600 0.101 0.000 1.050 482 K CA 1.356 57.687 56.287 0.074 0.000 0.935 482 K CB -0.600 31.928 32.500 0.048 0.000 0.715 482 K HN 0.337 nan 8.250 nan 0.000 0.439 483 G N 1.595 110.462 108.800 0.111 0.000 2.469 483 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.219 483 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.219 483 G C 1.390 176.454 174.900 0.273 0.000 1.150 483 G CA 1.030 46.259 45.100 0.215 0.000 0.763 483 G HN 0.314 nan 8.290 nan 0.000 0.561 484 L N 0.566 121.953 121.223 0.274 0.000 2.046 484 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 484 L C 2.616 179.582 176.870 0.160 0.000 1.077 484 L CA 1.902 56.850 54.840 0.180 0.000 0.747 484 L CB -0.516 41.626 42.059 0.138 0.000 0.896 484 L HN 0.106 nan 8.230 nan 0.000 0.432 485 E N -0.201 120.083 120.200 0.139 0.000 2.058 485 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 485 E C 2.177 178.842 176.600 0.109 0.000 0.997 485 E CA 1.514 57.984 56.400 0.118 0.000 0.801 485 E CB -0.370 29.385 29.700 0.092 0.000 0.746 485 E HN 0.667 nan 8.360 nan 0.000 0.450 486 Q N 0.168 120.030 119.800 0.105 0.000 2.096 486 Q HA -0.110 4.229 4.340 -0.000 0.000 0.204 486 Q C 2.474 178.526 176.000 0.087 0.000 0.982 486 Q CA 1.041 56.894 55.803 0.084 0.000 0.850 486 Q CB -0.186 28.598 28.738 0.076 0.000 0.901 486 Q HN 0.262 nan 8.270 nan 0.000 0.422 487 L N 0.460 121.756 121.223 0.121 0.000 2.083 487 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 487 L C 2.302 179.253 176.870 0.135 0.000 1.083 487 L CA 1.185 56.104 54.840 0.132 0.000 0.752 487 L CB -0.330 41.833 42.059 0.173 0.000 0.899 487 L HN 0.155 nan 8.230 nan 0.000 0.433 488 K N -0.384 120.117 120.400 0.168 0.000 2.063 488 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 488 K C 2.020 178.640 176.600 0.033 0.000 1.048 488 K CA 1.287 57.637 56.287 0.104 0.000 0.928 488 K CB -0.177 32.406 32.500 0.139 0.000 0.713 488 K HN 0.129 nan 8.250 nan 0.000 0.442 489 V N 1.561 121.501 119.914 0.044 0.000 2.307 489 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 489 V C 2.162 178.262 176.094 0.009 0.000 1.045 489 V CA 1.568 63.881 62.300 0.022 0.000 1.024 489 V CB -0.364 31.476 31.823 0.029 0.000 0.651 489 V HN 0.253 nan 8.190 nan 0.000 0.449 490 I N -0.269 120.312 120.570 0.018 0.000 2.208 490 I HA -0.267 3.902 4.170 -0.000 0.000 0.245 490 I C 2.772 178.885 176.117 -0.007 0.000 1.097 490 I CA 1.705 63.010 61.300 0.009 0.000 1.363 490 I CB -0.462 37.548 38.000 0.017 0.000 1.051 490 I HN 0.204 nan 8.210 nan 0.000 0.413 491 R N 0.787 121.275 120.500 -0.019 0.000 2.096 491 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 491 R C 2.110 178.370 176.300 -0.068 0.000 1.127 491 R CA 1.421 57.486 56.100 -0.059 0.000 0.968 491 R CB -0.076 30.147 30.300 -0.128 0.000 0.861 491 R HN 0.320 nan 8.270 nan 0.000 0.440 492 E N 0.455 120.621 120.200 -0.056 0.000 2.106 492 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 492 E C 2.083 178.650 176.600 -0.055 0.000 0.984 492 E CA 1.009 57.375 56.400 -0.056 0.000 0.806 492 E CB -0.103 29.573 29.700 -0.039 0.000 0.750 492 E HN 0.368 nan 8.360 nan 0.000 0.458 493 R N 0.274 120.751 120.500 -0.039 0.000 2.096 493 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 493 R C 2.347 178.614 176.300 -0.056 0.000 1.127 493 R CA 0.747 56.826 56.100 -0.036 0.000 0.968 493 R CB -0.333 29.959 30.300 -0.014 0.000 0.861 493 R HN 0.065 nan 8.270 nan 0.000 0.440 494 L N 1.597 122.787 121.223 -0.055 0.000 2.141 494 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 494 L C 1.467 178.224 176.870 -0.190 0.000 1.094 494 L CA 1.782 56.578 54.840 -0.073 0.000 0.763 494 L CB -0.250 41.800 42.059 -0.016 0.000 0.908 494 L HN -0.038 nan 8.230 nan 0.000 0.437 495 K N -0.772 119.530 120.400 -0.164 0.000 2.360 495 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 495 K C 0.723 177.191 176.600 -0.221 0.000 1.046 495 K CA 1.021 57.188 56.287 -0.200 0.000 0.945 495 K CB -0.103 32.315 32.500 -0.137 0.000 0.750 495 K HN 0.245 nan 8.250 nan 0.000 0.464 496 N N 0.093 118.683 118.700 -0.184 0.000 2.480 496 N HA 0.150 4.890 4.740 -0.000 0.000 0.281 496 N C -1.494 173.921 175.510 -0.158 0.000 1.381 496 N CA -0.257 52.697 53.050 -0.160 0.000 0.903 496 N CB 0.718 39.147 38.487 -0.096 0.000 1.274 496 N HN 0.040 nan 8.380 nan 0.000 0.505 497 A N 0.901 123.566 122.820 -0.257 0.000 2.331 497 A HA 0.532 4.852 4.320 -0.000 0.000 0.283 497 A C 0.373 177.883 177.584 -0.124 0.000 1.142 497 A CA -0.667 51.274 52.037 -0.161 0.000 0.812 497 A CB 0.354 19.290 19.000 -0.108 0.000 1.074 497 A HN 0.551 nan 8.150 nan 0.000 0.497 498 R N 1.347 121.897 120.500 0.083 0.000 2.500 498 R HA 0.623 4.963 4.340 -0.000 0.000 0.275 498 R C -1.026 175.472 176.300 0.331 0.000 1.051 498 R CA -0.645 55.543 56.100 0.147 0.000 1.088 498 R CB 0.651 31.002 30.300 0.085 0.000 1.063 498 R HN 0.473 nan 8.270 nan 0.000 0.511 499 L N 2.558 123.959 121.223 0.296 0.000 2.294 499 L HA 0.296 4.635 4.340 -0.000 0.000 0.283 499 L C -0.425 176.505 176.870 0.100 0.000 1.015 499 L CA -0.034 54.938 54.840 0.218 0.000 0.831 499 L CB 1.481 43.688 42.059 0.247 0.000 1.217 499 L HN 0.717 nan 8.230 nan 0.000 0.420 500 D N 1.732 122.168 120.400 0.059 0.000 2.349 500 D HA 0.024 4.664 4.640 -0.000 0.000 0.215 500 D C -0.424 175.886 176.300 0.017 0.000 1.016 500 D CA 0.679 54.700 54.000 0.035 0.000 0.870 500 D CB 0.321 41.138 40.800 0.028 0.000 0.917 500 D HN 0.579 nan 8.370 nan 0.000 0.524 501 D N -0.660 119.743 120.400 0.004 0.000 2.471 501 D HA 0.098 4.737 4.640 -0.000 0.000 0.245 501 D C 0.281 176.576 176.300 -0.007 0.000 1.116 501 D CA -0.222 53.774 54.000 -0.007 0.000 0.853 501 D CB 1.453 42.240 40.800 -0.022 0.000 1.123 501 D HN -0.298 nan 8.370 nan 0.000 0.540 502 T N 1.334 115.889 114.554 0.002 0.000 3.069 502 T HA 0.107 4.457 4.350 -0.000 0.000 0.252 502 T C 0.661 175.359 174.700 -0.004 0.000 1.053 502 T CA 0.188 62.291 62.100 0.005 0.000 0.964 502 T CB -0.147 68.730 68.868 0.015 0.000 1.005 502 T HN 0.469 nan 8.240 nan 0.000 0.532 503 S N 0.653 116.348 115.700 -0.008 0.000 2.589 503 S HA 0.197 4.666 4.470 -0.000 0.000 0.265 503 S C 1.475 176.063 174.600 -0.019 0.000 1.342 503 S CA 0.089 58.285 58.200 -0.007 0.000 1.005 503 S CB 1.235 64.434 63.200 -0.001 0.000 0.909 503 S HN 0.364 nan 8.310 nan 0.000 0.555 504 S N -0.749 114.942 115.700 -0.014 0.000 2.506 504 S HA 0.187 4.656 4.470 -0.000 0.000 0.219 504 S C 0.269 174.851 174.600 -0.031 0.000 1.031 504 S CA -0.166 58.017 58.200 -0.029 0.000 0.911 504 S CB -0.422 62.766 63.200 -0.020 0.000 0.812 504 S HN 0.783 nan 8.310 nan 0.000 0.497 505 E N 1.329 121.531 120.200 0.004 0.000 2.001 505 E HA 0.415 4.765 4.350 -0.000 0.000 0.279 505 E C -0.866 175.806 176.600 0.121 0.000 1.045 505 E CA -0.724 55.703 56.400 0.045 0.000 0.833 505 E CB -0.581 29.151 29.700 0.053 0.000 1.077 505 E HN 0.289 nan 8.360 nan 0.000 0.397 506 F N 3.387 123.300 119.950 -0.062 0.000 2.943 506 F HA -0.293 4.234 4.527 -0.000 0.000 0.258 506 F C -0.246 175.513 175.800 -0.067 0.000 0.995 506 F CA 0.344 58.306 58.000 -0.064 0.000 0.896 506 F CB -0.430 38.541 39.000 -0.048 0.000 0.821 506 F HN 0.458 nan 8.300 nan 0.000 0.828 507 N N 1.360 120.022 118.700 -0.063 0.000 2.439 507 N HA 0.119 4.859 4.740 -0.000 0.000 0.243 507 N C 1.161 176.587 175.510 -0.140 0.000 1.088 507 N CA 0.569 53.580 53.050 -0.065 0.000 0.940 507 N CB 0.909 39.346 38.487 -0.084 0.000 1.180 507 N HN 0.375 nan 8.380 nan 0.000 0.505 508 T N 0.588 115.105 114.554 -0.061 0.000 3.067 508 T HA -0.103 4.247 4.350 -0.000 0.000 0.261 508 T C 1.436 176.046 174.700 -0.150 0.000 1.110 508 T CA 0.613 62.653 62.100 -0.100 0.000 1.113 508 T CB 0.095 68.973 68.868 0.017 0.000 0.917 508 T HN 0.388 nan 8.240 nan 0.000 0.499 509 Q N 1.859 121.581 119.800 -0.130 0.000 2.079 509 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 509 Q C 2.469 178.311 176.000 -0.263 0.000 0.974 509 Q CA 1.519 57.226 55.803 -0.160 0.000 0.840 509 Q CB -0.376 28.300 28.738 -0.104 0.000 0.898 509 Q HN 0.603 nan 8.270 nan 0.000 0.430 510 R N -0.732 119.611 120.500 -0.261 0.000 2.091 510 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 510 R C 1.980 177.983 176.300 -0.495 0.000 1.136 510 R CA 1.681 57.569 56.100 -0.354 0.000 0.959 510 R CB -0.314 29.836 30.300 -0.249 0.000 0.856 510 R HN 0.264 nan 8.270 nan 0.000 0.437 511 V N 1.385 121.019 119.914 -0.466 0.000 2.295 511 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 511 V C 2.066 177.838 176.094 -0.537 0.000 1.049 511 V CA 2.155 64.072 62.300 -0.639 0.000 1.024 511 V CB -0.497 31.015 31.823 -0.519 0.000 0.648 511 V HN 0.440 nan 8.190 nan 0.000 0.447 512 E N -0.910 119.070 120.200 -0.367 0.000 2.150 512 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 512 E C 2.260 178.648 176.600 -0.354 0.000 0.985 512 E CA 1.571 57.809 56.400 -0.271 0.000 0.814 512 E CB -0.290 29.303 29.700 -0.180 0.000 0.752 512 E HN 0.610 nan 8.360 nan 0.000 0.466 513 C N 0.604 119.554 119.300 -0.584 0.000 2.453 513 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 513 C C 2.591 177.016 174.990 -0.943 0.000 1.262 513 C CA 0.409 58.809 59.018 -1.031 0.000 1.718 513 C CB -0.885 25.776 27.740 -1.798 0.000 2.031 513 C HN 0.390 nan 8.230 nan 0.000 0.480 514 L N 0.691 121.426 121.223 -0.814 0.000 2.079 514 L HA -0.202 4.137 4.340 -0.000 0.000 0.210 514 L C 2.573 179.408 176.870 -0.057 0.000 1.081 514 L CA 1.642 56.274 54.840 -0.347 0.000 0.752 514 L CB -0.744 41.118 42.059 -0.329 0.000 0.896 514 L HN 0.451 nan 8.230 nan 0.000 0.433 515 E N -0.206 119.930 120.200 -0.107 0.000 2.153 515 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 515 E C 2.112 178.737 176.600 0.040 0.000 0.988 515 E CA 0.967 57.391 56.400 0.041 0.000 0.811 515 E CB -0.163 29.545 29.700 0.014 0.000 0.746 515 E HN 0.270 nan 8.360 nan 0.000 0.466 516 L N 1.683 122.908 121.223 0.003 0.000 2.083 516 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 516 L C 1.478 178.424 176.870 0.127 0.000 1.083 516 L CA 1.808 56.686 54.840 0.064 0.000 0.752 516 L CB -0.316 41.791 42.059 0.081 0.000 0.899 516 L HN -0.019 nan 8.230 nan 0.000 0.433 517 D N -0.311 120.206 120.400 0.196 0.000 2.149 517 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 517 D C 1.749 178.119 176.300 0.117 0.000 0.990 517 D CA 1.270 55.386 54.000 0.192 0.000 0.839 517 D CB -0.174 40.780 40.800 0.257 0.000 0.948 517 D HN 0.470 nan 8.370 nan 0.000 0.460 518 N N 0.450 119.215 118.700 0.108 0.000 2.250 518 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 518 N C 2.227 177.771 175.510 0.058 0.000 1.017 518 N CA 0.177 53.277 53.050 0.083 0.000 0.866 518 N CB -0.236 38.304 38.487 0.088 0.000 0.985 518 N HN 0.245 nan 8.380 nan 0.000 0.429 519 L N 0.421 121.673 121.223 0.048 0.000 2.012 519 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 519 L C 2.467 179.340 176.870 0.004 0.000 1.073 519 L CA 1.132 55.981 54.840 0.015 0.000 0.748 519 L CB -0.360 41.701 42.059 0.003 0.000 0.891 519 L HN 0.132 nan 8.230 nan 0.000 0.431 520 M N -0.131 119.484 119.600 0.026 0.000 2.080 520 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 520 M C 2.188 178.509 176.300 0.036 0.000 1.068 520 M CA 1.778 57.092 55.300 0.022 0.000 1.109 520 M CB -0.419 32.197 32.600 0.027 0.000 1.342 520 M HN 0.076 nan 8.290 nan 0.000 0.405 521 E N -0.722 119.504 120.200 0.043 0.000 2.077 521 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 521 E C 2.041 178.662 176.600 0.035 0.000 0.989 521 E CA 1.979 58.413 56.400 0.058 0.000 0.800 521 E CB -0.832 28.907 29.700 0.065 0.000 0.746 521 E HN 0.562 nan 8.360 nan 0.000 0.452 522 T N 1.432 116.002 114.554 0.026 0.000 2.737 522 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 522 T C 2.019 176.706 174.700 -0.021 0.000 1.038 522 T CA 1.531 63.647 62.100 0.026 0.000 1.144 522 T CB -0.264 68.653 68.868 0.081 0.000 0.866 522 T HN 0.274 nan 8.240 nan 0.000 0.434 523 A N 0.474 123.253 122.820 -0.067 0.000 1.902 523 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 523 A C 2.123 179.581 177.584 -0.211 0.000 1.181 523 A CA 1.555 53.483 52.037 -0.181 0.000 0.623 523 A CB -1.011 17.878 19.000 -0.184 0.000 0.818 523 A HN 0.577 nan 8.150 nan 0.000 0.443 524 Y N 0.382 120.546 120.300 -0.228 0.000 2.163 524 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 524 Y C 2.676 178.345 175.900 -0.385 0.000 1.136 524 Y CA 1.211 59.164 58.100 -0.244 0.000 1.147 524 Y CB -0.469 37.903 38.460 -0.147 0.000 0.987 524 Y HN 0.300 nan 8.280 nan 0.000 0.509 525 A N -0.965 121.582 122.820 -0.455 0.000 1.933 525 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 525 A C 2.208 179.498 177.584 -0.490 0.000 1.175 525 A CA 2.137 53.668 52.037 -0.844 0.000 0.628 525 A CB -1.273 17.300 19.000 -0.711 0.000 0.814 525 A HN 0.491 nan 8.150 nan 0.000 0.444 526 T N 0.243 114.626 114.554 -0.285 0.000 2.746 526 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 526 T C 2.189 176.679 174.700 -0.351 0.000 1.039 526 T CA 1.664 63.670 62.100 -0.157 0.000 1.142 526 T CB -0.371 68.502 68.868 0.008 0.000 0.866 526 T HN 0.593 nan 8.240 nan 0.000 0.444 527 A N 0.730 123.172 122.820 -0.630 0.000 1.929 527 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 527 A C 2.564 179.950 177.584 -0.330 0.000 1.176 527 A CA 0.981 52.507 52.037 -0.853 0.000 0.628 527 A CB -0.797 17.651 19.000 -0.919 0.000 0.816 527 A HN 0.348 nan 8.150 nan 0.000 0.444 528 V N 0.091 119.760 119.914 -0.409 0.000 2.295 528 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 528 V C 2.779 178.854 176.094 -0.032 0.000 1.049 528 V CA 2.347 64.510 62.300 -0.229 0.000 1.024 528 V CB -0.902 30.740 31.823 -0.302 0.000 0.648 528 V HN 0.547 nan 8.190 nan 0.000 0.447 529 S N 0.453 116.115 115.700 -0.062 0.000 2.368 529 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 529 S C 2.227 176.879 174.600 0.087 0.000 1.030 529 S CA 1.464 59.702 58.200 0.064 0.000 0.999 529 S CB -0.549 62.659 63.200 0.013 0.000 0.844 529 S HN 0.651 nan 8.310 nan 0.000 0.459 530 A N 2.506 125.373 122.820 0.079 0.000 1.902 530 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 530 A C 1.968 179.707 177.584 0.258 0.000 1.181 530 A CA 1.310 53.464 52.037 0.195 0.000 0.623 530 A CB -0.691 18.577 19.000 0.447 0.000 0.818 530 A HN 0.496 nan 8.150 nan 0.000 0.443 531 N N -1.258 117.597 118.700 0.258 0.000 2.166 531 N HA -0.159 4.580 4.740 -0.000 0.000 0.186 531 N C 1.571 177.183 175.510 0.170 0.000 1.019 531 N CA 1.610 54.792 53.050 0.219 0.000 0.856 531 N CB -0.319 38.293 38.487 0.210 0.000 0.993 531 N HN 0.519 nan 8.380 nan 0.000 0.426 532 F N 2.130 122.084 119.950 0.007 0.000 2.102 532 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 532 F C 1.271 176.948 175.800 -0.205 0.000 1.105 532 F CA 0.986 58.986 58.000 0.001 0.000 1.239 532 F CB -0.215 38.822 39.000 0.062 0.000 0.991 532 F HN -0.207 nan 8.300 nan 0.000 0.474 533 R N 1.299 121.464 120.500 -0.558 0.000 2.309 533 R HA 0.102 4.442 4.340 -0.000 0.000 0.331 533 R C -0.393 175.333 176.300 -0.956 0.000 1.116 533 R CA 0.470 55.795 56.100 -1.292 0.000 0.970 533 R CB -0.249 29.457 30.300 -0.989 0.000 1.024 533 R HN 0.262 nan 8.270 nan 0.000 0.472 534 T N 1.706 115.466 114.554 -1.323 0.000 3.783 534 T HA 0.207 4.557 4.350 -0.000 0.000 0.262 534 T C -0.249 173.894 174.700 -0.928 0.000 1.381 534 T CA -0.569 60.849 62.100 -1.135 0.000 1.155 534 T CB -0.337 67.688 68.868 -1.405 0.000 1.256 534 T HN 0.770 nan 8.240 nan 0.000 0.807 535 E N -0.519 119.352 120.200 -0.547 0.000 2.415 535 E HA 0.620 4.970 4.350 -0.000 0.000 0.271 535 E C -1.546 175.022 176.600 -0.052 0.000 1.094 535 E CA -1.282 55.016 56.400 -0.170 0.000 0.881 535 E CB 0.631 30.222 29.700 -0.181 0.000 1.581 535 E HN 0.032 nan 8.360 nan 0.000 0.460 536 S N -0.177 115.527 115.700 0.006 0.000 2.552 536 S HA 0.603 5.073 4.470 -0.000 0.000 0.314 536 S C -1.024 173.607 174.600 0.053 0.000 1.099 536 S CA -0.732 57.460 58.200 -0.012 0.000 1.070 536 S CB 0.981 64.155 63.200 -0.042 0.000 0.998 536 S HN 0.463 nan 8.310 nan 0.000 0.474 537 R N 1.943 122.498 120.500 0.093 0.000 2.533 537 R HA 0.546 4.886 4.340 -0.000 0.000 0.288 537 R C 0.793 177.156 176.300 0.106 0.000 1.039 537 R CA 0.263 56.424 56.100 0.101 0.000 0.909 537 R CB 0.871 31.232 30.300 0.103 0.000 1.195 537 R HN 0.869 nan 8.270 nan 0.000 0.438 538 G N 2.610 111.464 108.800 0.089 0.000 2.685 538 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.329 538 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.329 538 G C 0.776 175.722 174.900 0.076 0.000 1.271 538 G CA 0.762 45.913 45.100 0.086 0.000 1.003 538 G HN 0.882 nan 8.290 nan 0.000 0.549 539 A N -0.311 122.573 122.820 0.108 0.000 2.209 539 A HA 0.322 4.642 4.320 -0.000 0.000 0.212 539 A C 1.137 178.802 177.584 0.135 0.000 1.158 539 A CA 1.847 53.955 52.037 0.120 0.000 0.742 539 A CB -0.311 18.806 19.000 0.195 0.000 0.790 539 A HN 1.354 nan 8.150 nan 0.000 0.472 540 H N 0.114 119.202 119.070 0.030 0.000 2.741 540 H HA 0.586 5.142 4.556 -0.000 0.000 0.282 540 H C -0.741 174.559 175.328 -0.047 0.000 1.122 540 H CA -0.077 55.979 56.048 0.014 0.000 1.293 540 H CB 0.431 30.202 29.762 0.015 0.000 1.415 540 H HN 0.035 nan 8.280 nan 0.000 0.472 541 S N 5.425 120.893 115.700 -0.386 0.000 2.605 541 S HA 0.544 5.014 4.470 -0.000 0.000 0.308 541 S C -0.810 173.525 174.600 -0.441 0.000 1.113 541 S CA -0.802 57.175 58.200 -0.371 0.000 1.049 541 S CB 0.288 63.294 63.200 -0.322 0.000 1.001 541 S HN 0.772 nan 8.310 nan 0.000 0.480 542 R N 3.181 123.447 120.500 -0.391 0.000 2.513 542 R HA 0.382 4.722 4.340 -0.000 0.000 0.301 542 R C -0.172 175.989 176.300 -0.231 0.000 0.968 542 R CA -0.542 55.382 56.100 -0.293 0.000 0.872 542 R CB 0.899 31.124 30.300 -0.125 0.000 1.177 542 R HN 0.595 nan 8.270 nan 0.000 0.444 543 F N 1.175 121.128 119.950 0.005 0.000 2.234 543 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 543 F C 2.092 177.846 175.800 -0.076 0.000 1.087 543 F CA 1.188 59.167 58.000 -0.035 0.000 1.340 543 F CB -0.024 38.935 39.000 -0.068 0.000 1.031 543 F HN 0.585 nan 8.300 nan 0.000 0.500 544 D N -0.935 119.500 120.400 0.058 0.000 2.277 544 D HA -0.155 4.484 4.640 -0.000 0.000 0.208 544 D C 0.204 176.190 176.300 -0.524 0.000 0.962 544 D CA 0.780 54.667 54.000 -0.189 0.000 0.865 544 D CB -0.617 40.088 40.800 -0.158 0.000 0.939 544 D HN 0.250 nan 8.370 nan 0.000 0.510 545 F N 0.477 120.427 119.950 0.000 0.000 2.622 545 F HA 0.308 4.835 4.527 -0.000 0.000 0.338 545 F C -1.847 173.937 175.800 -0.028 0.000 1.334 545 F CA -1.942 56.052 58.000 -0.010 0.000 1.179 545 F CB 2.012 40.992 39.000 -0.033 0.000 1.471 545 F HN -0.202 nan 8.300 nan 0.000 0.576 546 P HA -0.015 nan 4.420 nan 0.000 0.233 546 P C -0.261 177.083 177.300 0.074 0.000 1.167 546 P CA 0.864 64.003 63.100 0.064 0.000 0.770 546 P CB 0.459 32.205 31.700 0.078 0.000 0.837 547 D N 0.129 120.590 120.400 0.102 0.000 2.217 547 D HA 0.217 4.857 4.640 -0.000 0.000 0.248 547 D C 0.209 176.571 176.300 0.104 0.000 1.008 547 D CA -0.565 53.494 54.000 0.097 0.000 0.914 547 D CB 1.370 42.230 40.800 0.102 0.000 1.182 547 D HN -0.155 nan 8.370 nan 0.000 0.451 548 R N 0.986 121.544 120.500 0.096 0.000 2.438 548 R HA 0.109 4.449 4.340 -0.000 0.000 0.287 548 R C -0.739 175.634 176.300 0.122 0.000 1.077 548 R CA -0.136 56.027 56.100 0.106 0.000 1.034 548 R CB 0.498 30.860 30.300 0.103 0.000 0.993 548 R HN 0.272 nan 8.270 nan 0.000 0.459 549 D N 3.003 123.499 120.400 0.160 0.000 2.438 549 D HA 0.106 4.746 4.640 -0.000 0.000 0.257 549 D C -0.416 175.984 176.300 0.167 0.000 1.148 549 D CA -0.433 53.678 54.000 0.185 0.000 0.902 549 D CB 1.017 41.995 40.800 0.296 0.000 1.062 549 D HN 0.442 nan 8.370 nan 0.000 0.518 550 D N 1.876 122.334 120.400 0.096 0.000 2.277 550 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 550 D C 1.442 177.756 176.300 0.023 0.000 0.962 550 D CA 0.525 54.560 54.000 0.059 0.000 0.865 550 D CB 0.466 41.279 40.800 0.022 0.000 0.939 550 D HN 0.595 nan 8.370 nan 0.000 0.510 551 E N 0.134 120.344 120.200 0.017 0.000 2.072 551 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 551 E C 1.318 177.870 176.600 -0.081 0.000 0.985 551 E CA 0.682 57.069 56.400 -0.022 0.000 0.801 551 E CB 0.238 29.932 29.700 -0.010 0.000 0.750 551 E HN 0.228 nan 8.360 nan 0.000 0.452 552 N N -1.730 116.903 118.700 -0.111 0.000 2.397 552 N HA 0.012 4.752 4.740 -0.000 0.000 0.190 552 N C 0.401 175.553 175.510 -0.596 0.000 1.099 552 N CA 0.310 53.135 53.050 -0.374 0.000 0.876 552 N CB 0.362 38.577 38.487 -0.452 0.000 1.143 552 N HN 0.162 nan 8.380 nan 0.000 0.468 553 W N 0.845 122.112 121.300 -0.055 0.000 2.653 553 W HA 0.391 5.051 4.660 -0.000 0.000 0.391 553 W C -0.058 176.435 176.519 -0.043 0.000 0.962 553 W CA -0.497 56.808 57.345 -0.066 0.000 1.900 553 W CB 0.318 29.729 29.460 -0.082 0.000 1.176 553 W HN -0.156 nan 8.180 nan 0.000 0.582 554 L N 3.504 124.789 121.223 0.104 0.000 2.382 554 L HA 0.303 4.643 4.340 -0.000 0.000 0.259 554 L C 0.220 177.095 176.870 0.007 0.000 1.291 554 L CA -0.124 54.752 54.840 0.060 0.000 1.176 554 L CB -1.207 40.871 42.059 0.032 0.000 1.373 554 L HN 0.180 nan 8.230 nan 0.000 0.426 555 C N -0.216 119.085 119.300 0.003 0.000 3.176 555 C HA 0.418 4.878 4.460 -0.000 0.000 0.343 555 C C -0.432 174.518 174.990 -0.067 0.000 1.332 555 C CA -1.198 57.789 59.018 -0.052 0.000 1.200 555 C CB 1.142 28.900 27.740 0.030 0.000 1.440 555 C HN 0.518 nan 8.230 nan 0.000 0.458 556 H N 1.179 120.325 119.070 0.127 0.000 2.505 556 H HA 0.622 5.177 4.556 -0.000 0.000 0.351 556 H C 0.505 175.951 175.328 0.196 0.000 1.151 556 H CA 0.785 56.909 56.048 0.127 0.000 1.339 556 H CB 1.865 31.671 29.762 0.074 0.000 1.483 556 H HN 0.963 nan 8.280 nan 0.000 0.558 557 S N 1.933 117.834 115.700 0.334 0.000 2.541 557 S HA 0.441 4.911 4.470 -0.000 0.000 0.283 557 S C -0.466 174.266 174.600 0.220 0.000 1.196 557 S CA -0.842 57.578 58.200 0.367 0.000 1.062 557 S CB 1.145 64.579 63.200 0.390 0.000 1.009 557 S HN 0.368 nan 8.310 nan 0.000 0.502 558 L N 3.221 124.536 121.223 0.153 0.000 2.406 558 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 558 L C -1.489 175.399 176.870 0.031 0.000 0.980 558 L CA -0.752 54.132 54.840 0.073 0.000 0.831 558 L CB 1.682 43.763 42.059 0.037 0.000 1.253 558 L HN 0.864 nan 8.230 nan 0.000 0.406 559 Y N 5.846 126.107 120.300 -0.065 0.000 2.425 559 Y HA 0.540 5.090 4.550 -0.000 0.000 0.347 559 Y C -0.954 174.910 175.900 -0.059 0.000 0.976 559 Y CA -0.580 57.470 58.100 -0.082 0.000 1.190 559 Y CB 0.553 38.980 38.460 -0.056 0.000 1.136 559 Y HN 0.511 nan 8.280 nan 0.000 0.517 560 L N 9.977 130.873 121.223 -0.544 0.000 2.283 560 L HA 0.296 4.635 4.340 -0.000 0.000 0.287 560 L C -1.583 174.883 176.870 -0.674 0.000 1.073 560 L CA -1.761 52.804 54.840 -0.458 0.000 0.822 560 L CB 0.979 42.873 42.059 -0.275 0.000 1.186 560 L HN 0.553 nan 8.230 nan 0.000 0.436 561 P HA -0.082 nan 4.420 nan 0.000 0.222 561 P C 1.084 178.277 177.300 -0.178 0.000 1.153 561 P CA 0.774 63.680 63.100 -0.324 0.000 0.798 561 P CB 0.529 32.181 31.700 -0.079 0.000 0.796 562 E N 0.125 120.234 120.200 -0.151 0.000 2.106 562 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 562 E C 1.898 178.443 176.600 -0.092 0.000 0.984 562 E CA 1.692 58.035 56.400 -0.095 0.000 0.806 562 E CB -0.353 29.300 29.700 -0.078 0.000 0.750 562 E HN 0.275 nan 8.360 nan 0.000 0.458 563 S N -0.713 114.911 115.700 -0.127 0.000 2.524 563 S HA 0.111 4.581 4.470 -0.000 0.000 0.215 563 S C 0.278 174.824 174.600 -0.091 0.000 0.986 563 S CA 0.044 58.187 58.200 -0.095 0.000 0.911 563 S CB 0.139 63.283 63.200 -0.092 0.000 0.805 563 S HN 0.228 nan 8.310 nan 0.000 0.501 564 E N 1.289 121.387 120.200 -0.170 0.000 2.476 564 E HA -0.173 4.177 4.350 -0.000 0.000 0.251 564 E C -0.243 176.331 176.600 -0.043 0.000 1.130 564 E CA 0.609 56.961 56.400 -0.080 0.000 0.736 564 E CB -1.941 27.866 29.700 0.178 0.000 1.298 564 E HN 0.820 nan 8.360 nan 0.000 0.400 565 S N -1.210 114.372 115.700 -0.197 0.000 2.709 565 S HA 0.812 5.281 4.470 -0.000 0.000 0.302 565 S C -0.046 174.408 174.600 -0.243 0.000 1.127 565 S CA -1.209 56.904 58.200 -0.146 0.000 0.905 565 S CB 2.142 65.274 63.200 -0.113 0.000 1.151 565 S HN 0.080 nan 8.310 nan 0.000 0.510 566 M N 1.336 120.731 119.600 -0.343 0.000 2.644 566 M HA 0.680 5.160 4.480 -0.000 0.000 0.316 566 M C 0.113 176.115 176.300 -0.497 0.000 1.200 566 M CA -0.297 54.649 55.300 -0.591 0.000 0.944 566 M CB 1.494 33.217 32.600 -1.461 0.000 1.691 566 M HN 1.027 nan 8.290 nan 0.000 0.471 567 T N 0.590 114.950 114.554 -0.323 0.000 2.645 567 T HA 0.663 5.013 4.350 -0.000 0.000 0.300 567 T C -1.336 173.438 174.700 0.124 0.000 1.210 567 T CA -0.659 61.404 62.100 -0.062 0.000 1.034 567 T CB 1.907 70.748 68.868 -0.045 0.000 1.537 567 T HN 0.699 nan 8.240 nan 0.000 0.492 568 R N 0.427 121.012 120.500 0.141 0.000 2.803 568 R HA 0.749 5.089 4.340 -0.000 0.000 0.276 568 R C -0.745 175.624 176.300 0.115 0.000 0.978 568 R CA -0.918 55.287 56.100 0.175 0.000 0.939 568 R CB 1.954 32.323 30.300 0.115 0.000 1.179 568 R HN 0.426 nan 8.270 nan 0.000 0.472 569 R N 0.236 120.830 120.500 0.155 0.000 2.686 569 R HA 0.345 4.685 4.340 -0.000 0.000 0.283 569 R C -0.715 175.696 176.300 0.185 0.000 0.978 569 R CA -0.604 55.582 56.100 0.143 0.000 0.897 569 R CB 2.510 32.889 30.300 0.131 0.000 1.192 569 R HN 0.568 nan 8.270 nan 0.000 0.457 570 S N 1.011 116.786 115.700 0.125 0.000 2.563 570 S HA 0.051 4.520 4.470 -0.000 0.000 0.284 570 S C 0.065 174.766 174.600 0.169 0.000 1.331 570 S CA -0.378 57.881 58.200 0.098 0.000 1.047 570 S CB 0.750 63.986 63.200 0.060 0.000 0.859 570 S HN 0.233 nan 8.310 nan 0.000 0.514 571 V N 4.519 124.460 119.914 0.047 0.000 2.498 571 V HA 0.159 4.279 4.120 -0.000 0.000 0.279 571 V C 0.759 176.907 176.094 0.090 0.000 1.048 571 V CA -0.811 61.511 62.300 0.037 0.000 0.967 571 V CB 1.056 32.820 31.823 -0.098 0.000 0.988 571 V HN 0.812 nan 8.190 nan 0.000 0.473 572 N N 5.731 124.508 118.700 0.129 0.000 2.452 572 N HA 0.085 4.824 4.740 -0.000 0.000 0.266 572 N C -0.039 175.525 175.510 0.090 0.000 1.209 572 N CA -0.088 53.016 53.050 0.091 0.000 0.929 572 N CB 0.855 39.391 38.487 0.081 0.000 1.063 572 N HN 0.519 nan 8.380 nan 0.000 0.472 573 M N 2.923 122.565 119.600 0.070 0.000 2.778 573 M HA 0.208 4.688 4.480 -0.000 0.000 0.359 573 M C -0.698 175.634 176.300 0.053 0.000 1.216 573 M CA 0.098 55.441 55.300 0.071 0.000 0.935 573 M CB -0.395 32.239 32.600 0.056 0.000 1.330 573 M HN 0.446 nan 8.290 nan 0.000 0.516 574 E N 2.248 122.481 120.200 0.055 0.000 3.386 574 E HA 0.254 4.604 4.350 -0.000 0.000 0.236 574 E C -2.340 174.293 176.600 0.055 0.000 1.227 574 E CA -1.416 55.009 56.400 0.042 0.000 0.970 574 E CB 1.616 31.334 29.700 0.030 0.000 1.343 574 E HN 0.174 nan 8.360 nan 0.000 0.397 575 P HA 0.021 nan 4.420 nan 0.000 0.271 575 P C 0.215 177.564 177.300 0.081 0.000 1.233 575 P CA -0.273 62.886 63.100 0.098 0.000 0.789 575 P CB 1.340 33.112 31.700 0.121 0.000 0.951 576 K N 0.501 120.961 120.400 0.100 0.000 2.348 576 K HA 0.226 4.546 4.320 -0.000 0.000 0.194 576 K C 1.645 178.302 176.600 0.095 0.000 1.052 576 K CA 0.622 56.956 56.287 0.080 0.000 1.004 576 K CB -0.073 32.469 32.500 0.069 0.000 0.873 576 K HN 0.403 nan 8.250 nan 0.000 0.523 577 L N 0.692 122.007 121.223 0.153 0.000 2.590 577 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 577 L C 0.558 177.536 176.870 0.180 0.000 1.099 577 L CA -0.134 54.825 54.840 0.199 0.000 0.872 577 L CB 0.235 42.485 42.059 0.319 0.000 1.088 577 L HN 0.056 nan 8.230 nan 0.000 0.479 578 R N -1.195 119.377 120.500 0.119 0.000 2.716 578 R HA 0.543 4.882 4.340 -0.000 0.000 0.271 578 R C -3.117 173.140 176.300 -0.072 0.000 1.028 578 R CA -1.512 54.594 56.100 0.009 0.000 0.883 578 R CB 0.508 30.793 30.300 -0.025 0.000 1.250 578 R HN -0.343 nan 8.270 nan 0.000 0.465 579 P HA 0.149 nan 4.420 nan 0.000 0.272 579 P C -0.719 176.405 177.300 -0.294 0.000 1.240 579 P CA -0.316 62.684 63.100 -0.168 0.000 0.791 579 P CB 0.654 32.259 31.700 -0.157 0.000 0.978 580 A N 1.470 124.182 122.820 -0.180 0.000 2.407 580 A HA 0.326 4.646 4.320 -0.000 0.000 0.248 580 A C -0.455 177.015 177.584 -0.190 0.000 1.082 580 A CA -0.099 51.851 52.037 -0.145 0.000 0.785 580 A CB -0.629 18.365 19.000 -0.010 0.000 1.020 580 A HN 0.372 nan 8.150 nan 0.000 0.489 581 F N 3.132 123.156 119.950 0.124 0.000 2.445 581 F HA 0.344 4.871 4.527 -0.000 0.000 0.359 581 F C -1.531 174.330 175.800 0.101 0.000 1.101 581 F CA -1.909 56.177 58.000 0.143 0.000 1.177 581 F CB 0.775 39.906 39.000 0.219 0.000 1.110 581 F HN 0.352 nan 8.300 nan 0.000 0.522 582 P HA 0.214 nan 4.420 nan 0.000 0.278 582 P C -2.709 174.431 177.300 -0.267 0.000 1.238 582 P CA -1.766 61.329 63.100 -0.008 0.000 0.794 582 P CB 0.350 32.039 31.700 -0.019 0.000 0.955 583 P HA 0.087 nan 4.420 nan 0.000 0.265 583 P C -0.120 176.805 177.300 -0.626 0.000 1.193 583 P CA 0.492 62.970 63.100 -1.036 0.000 0.765 583 P CB 0.257 31.659 31.700 -0.497 0.000 0.823 584 K N 1.809 121.813 120.400 -0.659 0.000 2.469 584 K HA 0.530 4.850 4.320 -0.000 0.000 0.268 584 K C -0.586 175.960 176.600 -0.090 0.000 1.027 584 K CA -1.109 55.044 56.287 -0.223 0.000 0.893 584 K CB 0.998 33.442 32.500 -0.094 0.000 1.460 584 K HN 0.107 nan 8.250 nan 0.000 0.449 585 I N 1.516 122.075 120.570 -0.019 0.000 2.815 585 I HA -0.006 4.164 4.170 -0.000 0.000 0.291 585 I C 0.549 176.693 176.117 0.046 0.000 1.209 585 I CA 0.166 61.481 61.300 0.025 0.000 1.431 585 I CB 0.281 38.292 38.000 0.019 0.000 1.351 585 I HN 0.487 nan 8.210 nan 0.000 0.585 586 R N 5.438 125.968 120.500 0.051 0.000 2.312 586 R HA 0.360 4.699 4.340 -0.000 0.000 0.310 586 R C -1.093 175.154 176.300 -0.088 0.000 1.064 586 R CA -0.371 55.720 56.100 -0.015 0.000 0.983 586 R CB 0.849 31.175 30.300 0.043 0.000 1.139 586 R HN 0.810 nan 8.270 nan 0.000 0.536 587 T N 0.401 114.873 114.554 -0.138 0.000 2.876 587 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 587 T C -0.563 174.023 174.700 -0.191 0.000 1.014 587 T CA -0.577 61.468 62.100 -0.092 0.000 0.986 587 T CB 1.215 70.089 68.868 0.010 0.000 1.021 587 T HN 0.300 nan 8.240 nan 0.000 0.458 588 Y N 0.000 120.335 120.300 0.059 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.130 58.100 0.049 0.000 1.940 588 Y CB 0.000 38.484 38.460 0.039 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758