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 2wdq_1_I 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 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.626 32.600 0.044 0.000 1.302 2 K N 1.485 121.897 120.400 0.019 0.000 2.397 2 K HA 0.370 4.690 4.320 -0.000 0.000 0.202 2 K C -0.670 175.947 176.600 0.029 0.000 1.022 2 K CA 0.083 56.382 56.287 0.020 0.000 1.141 2 K CB 0.566 33.074 32.500 0.014 0.000 0.857 2 K HN 0.602 nan 8.250 nan 0.000 0.514 3 L N 1.290 122.537 121.223 0.040 0.000 2.362 3 L HA 0.450 4.790 4.340 -0.000 0.000 0.271 3 L C -2.542 174.363 176.870 0.059 0.000 1.002 3 L CA -2.085 52.788 54.840 0.056 0.000 0.818 3 L CB 1.837 43.937 42.059 0.068 0.000 1.298 3 L HN -0.116 nan 8.230 nan 0.000 0.420 4 P HA 0.207 nan 4.420 nan 0.000 0.269 4 P C -1.385 175.906 177.300 -0.015 0.000 1.215 4 P CA -0.196 62.911 63.100 0.012 0.000 0.780 4 P CB 0.709 32.416 31.700 0.011 0.000 0.898 5 V N 3.891 123.764 119.914 -0.067 0.000 2.495 5 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 5 V C 0.264 176.185 176.094 -0.288 0.000 1.031 5 V CA -0.594 61.610 62.300 -0.161 0.000 0.871 5 V CB 1.629 33.404 31.823 -0.081 0.000 0.988 5 V HN 0.436 nan 8.190 nan 0.000 0.432 6 R N 2.791 123.007 120.500 -0.473 0.000 2.393 6 R HA 0.546 4.886 4.340 -0.000 0.000 0.315 6 R C -0.679 175.378 176.300 -0.405 0.000 0.952 6 R CA -0.569 55.255 56.100 -0.460 0.000 0.842 6 R CB 2.500 32.444 30.300 -0.593 0.000 1.163 6 R HN 0.818 nan 8.270 nan 0.000 0.450 7 E N 3.558 123.479 120.200 -0.465 0.000 2.179 7 E HA 0.451 4.801 4.350 -0.000 0.000 0.275 7 E C -1.297 174.935 176.600 -0.613 0.000 0.945 7 E CA -0.464 55.709 56.400 -0.379 0.000 0.792 7 E CB 0.888 30.420 29.700 -0.281 0.000 1.125 7 E HN 0.313 nan 8.360 nan 0.000 0.397 8 F N 1.526 121.431 119.950 -0.074 0.000 2.662 8 F HA 0.214 4.741 4.527 -0.000 0.000 0.312 8 F C 0.848 176.625 175.800 -0.039 0.000 1.113 8 F CA -0.831 57.147 58.000 -0.036 0.000 0.951 8 F CB 1.646 40.639 39.000 -0.011 0.000 1.344 8 F HN 0.426 nan 8.300 nan 0.000 0.462 9 D N 0.845 121.344 120.400 0.164 0.000 2.097 9 D HA 0.033 4.673 4.640 -0.000 0.000 0.195 9 D C 0.430 176.768 176.300 0.063 0.000 0.989 9 D CA 1.448 55.495 54.000 0.079 0.000 0.827 9 D CB 0.031 40.858 40.800 0.045 0.000 0.966 9 D HN 0.410 nan 8.370 nan 0.000 0.456 10 A N 0.054 122.912 122.820 0.064 0.000 2.386 10 A HA 0.571 4.891 4.320 -0.000 0.000 0.311 10 A C -0.956 176.591 177.584 -0.062 0.000 1.068 10 A CA -0.536 51.484 52.037 -0.028 0.000 0.743 10 A CB 2.239 21.180 19.000 -0.099 0.000 1.258 10 A HN -0.077 nan 8.150 nan 0.000 0.429 11 V N 2.477 122.333 119.914 -0.097 0.000 2.407 11 V HA 0.384 4.504 4.120 -0.000 0.000 0.291 11 V C -0.529 175.458 176.094 -0.178 0.000 1.018 11 V CA -0.499 61.685 62.300 -0.193 0.000 0.842 11 V CB 1.508 33.237 31.823 -0.156 0.000 0.996 11 V HN 0.651 nan 8.190 nan 0.000 0.426 12 V N 6.724 126.511 119.914 -0.211 0.000 2.350 12 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 12 V C 0.093 176.081 176.094 -0.176 0.000 1.028 12 V CA -0.289 61.917 62.300 -0.157 0.000 0.860 12 V CB 1.498 33.241 31.823 -0.134 0.000 0.990 12 V HN 0.690 nan 8.190 nan 0.000 0.453 13 I N 5.313 125.797 120.570 -0.143 0.000 2.282 13 I HA 0.662 4.832 4.170 -0.000 0.000 0.290 13 I C 0.766 176.817 176.117 -0.111 0.000 1.090 13 I CA 0.147 61.354 61.300 -0.155 0.000 1.231 13 I CB 0.641 38.554 38.000 -0.145 0.000 1.434 13 I HN 0.840 nan 8.210 nan 0.000 0.487 14 G N 4.333 113.070 108.800 -0.105 0.000 2.801 14 G HA2 0.244 4.204 3.960 -0.000 0.000 0.648 14 G HA3 0.244 4.204 3.960 -0.000 0.000 0.648 14 G C -0.641 174.220 174.900 -0.065 0.000 1.415 14 G CA -0.330 44.728 45.100 -0.071 0.000 0.887 14 G HN 0.706 nan 8.290 nan 0.000 0.627 15 A N 1.201 123.984 122.820 -0.061 0.000 2.812 15 A HA 0.804 5.124 4.320 -0.000 0.000 0.294 15 A C 1.219 178.762 177.584 -0.068 0.000 1.014 15 A CA 1.033 53.027 52.037 -0.072 0.000 1.024 15 A CB -0.126 18.814 19.000 -0.100 0.000 1.162 15 A HN 2.064 nan 8.150 nan 0.000 0.511 16 G N -0.615 108.162 108.800 -0.038 0.000 2.489 16 G HA2 0.397 4.357 3.960 -0.000 0.000 0.271 16 G HA3 0.397 4.357 3.960 -0.000 0.000 0.271 16 G C 1.190 176.077 174.900 -0.021 0.000 1.427 16 G CA 0.166 45.252 45.100 -0.024 0.000 1.057 16 G HN 0.603 nan 8.290 nan 0.000 0.532 17 G N -0.254 108.543 108.800 -0.005 0.000 2.469 17 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.219 17 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.219 17 G C 1.943 176.854 174.900 0.018 0.000 1.150 17 G CA 1.989 47.091 45.100 0.003 0.000 0.763 17 G HN 0.902 nan 8.290 nan 0.000 0.561 18 A N 0.742 123.583 122.820 0.036 0.000 1.872 18 A HA 0.231 4.551 4.320 -0.000 0.000 0.214 18 A C 2.743 180.341 177.584 0.023 0.000 1.187 18 A CA 2.010 54.078 52.037 0.051 0.000 0.614 18 A CB -1.098 17.947 19.000 0.074 0.000 0.826 18 A HN 0.540 nan 8.150 nan 0.000 0.442 19 G N -0.824 107.976 108.800 0.001 0.000 2.422 19 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 19 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 19 G C 1.641 176.521 174.900 -0.034 0.000 1.146 19 G CA 1.155 46.240 45.100 -0.025 0.000 0.769 19 G HN 0.425 nan 8.290 nan 0.000 0.547 20 M N -0.474 119.107 119.600 -0.031 0.000 2.200 20 M HA 0.037 4.517 4.480 -0.000 0.000 0.265 20 M C 2.605 178.888 176.300 -0.029 0.000 1.066 20 M CA 1.084 56.364 55.300 -0.034 0.000 1.127 20 M CB -0.091 32.491 32.600 -0.030 0.000 1.379 20 M HN 0.171 nan 8.290 nan 0.000 0.420 21 R N 0.896 121.387 120.500 -0.015 0.000 2.073 21 R HA 0.005 4.345 4.340 -0.000 0.000 0.229 21 R C 2.025 178.317 176.300 -0.013 0.000 1.120 21 R CA 1.859 57.953 56.100 -0.010 0.000 0.967 21 R CB -0.683 29.622 30.300 0.007 0.000 0.862 21 R HN 0.296 nan 8.270 nan 0.000 0.436 22 A N 0.425 123.239 122.820 -0.010 0.000 1.877 22 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 22 A C 2.393 179.950 177.584 -0.045 0.000 1.186 22 A CA 1.871 53.897 52.037 -0.020 0.000 0.620 22 A CB -1.207 17.782 19.000 -0.018 0.000 0.822 22 A HN 0.478 nan 8.150 nan 0.000 0.443 23 A N -0.672 122.116 122.820 -0.053 0.000 1.908 23 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 23 A C 2.148 179.699 177.584 -0.055 0.000 1.181 23 A CA 1.823 53.821 52.037 -0.065 0.000 0.627 23 A CB -0.649 18.307 19.000 -0.074 0.000 0.818 23 A HN 0.626 nan 8.150 nan 0.000 0.445 24 L N -0.571 120.622 121.223 -0.049 0.000 1.994 24 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 24 L C 2.555 179.402 176.870 -0.039 0.000 1.071 24 L CA 2.751 57.563 54.840 -0.047 0.000 0.745 24 L CB -0.779 41.253 42.059 -0.045 0.000 0.892 24 L HN 0.501 nan 8.230 nan 0.000 0.431 25 Q N -0.270 119.509 119.800 -0.035 0.000 2.050 25 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 25 Q C 2.132 178.107 176.000 -0.041 0.000 0.980 25 Q CA 2.209 57.991 55.803 -0.034 0.000 0.840 25 Q CB -0.417 28.304 28.738 -0.027 0.000 0.898 25 Q HN 0.635 nan 8.270 nan 0.000 0.424 26 I N -0.269 120.271 120.570 -0.049 0.000 2.194 26 I HA -0.312 3.858 4.170 -0.000 0.000 0.246 26 I C 2.447 178.541 176.117 -0.038 0.000 1.093 26 I CA 1.467 62.733 61.300 -0.056 0.000 1.355 26 I CB -0.462 37.492 38.000 -0.076 0.000 1.046 26 I HN 0.233 nan 8.210 nan 0.000 0.413 27 S N -0.008 115.673 115.700 -0.032 0.000 2.368 27 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 27 S C 1.964 176.556 174.600 -0.013 0.000 1.029 27 S CA 1.376 59.566 58.200 -0.015 0.000 0.988 27 S CB -0.120 63.070 63.200 -0.016 0.000 0.838 27 S HN 0.448 nan 8.310 nan 0.000 0.462 28 Q N 0.227 120.015 119.800 -0.021 0.000 2.369 28 Q HA 0.121 4.461 4.340 -0.000 0.000 0.206 28 Q C 1.595 177.583 176.000 -0.020 0.000 0.963 28 Q CA 0.838 56.630 55.803 -0.018 0.000 0.894 28 Q CB 0.032 28.756 28.738 -0.023 0.000 0.965 28 Q HN 0.409 nan 8.270 nan 0.000 0.475 29 S N -0.794 114.891 115.700 -0.025 0.000 2.603 29 S HA 0.124 4.594 4.470 -0.000 0.000 0.220 29 S C 1.135 175.724 174.600 -0.018 0.000 0.967 29 S CA 0.566 58.749 58.200 -0.027 0.000 0.920 29 S CB 0.467 63.644 63.200 -0.038 0.000 0.773 29 S HN 0.650 nan 8.310 nan 0.000 0.529 30 G N 1.062 109.856 108.800 -0.011 0.000 2.176 30 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 30 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 30 G C -0.149 174.752 174.900 0.003 0.000 0.979 30 G CA -0.272 44.826 45.100 -0.003 0.000 0.641 30 G HN 0.508 nan 8.290 nan 0.000 0.530 31 Q N 1.102 120.902 119.800 0.001 0.000 2.230 31 Q HA 0.561 4.901 4.340 -0.000 0.000 0.248 31 Q C 0.830 176.853 176.000 0.039 0.000 0.915 31 Q CA 0.136 55.946 55.803 0.012 0.000 0.900 31 Q CB 1.210 29.945 28.738 -0.003 0.000 1.229 31 Q HN 0.463 nan 8.270 nan 0.000 0.439 32 T N -1.835 112.764 114.554 0.074 0.000 2.918 32 T HA 0.343 4.693 4.350 -0.000 0.000 0.302 32 T C -0.243 174.571 174.700 0.190 0.000 1.045 32 T CA -0.694 61.500 62.100 0.157 0.000 1.114 32 T CB 0.752 69.738 68.868 0.198 0.000 0.965 32 T HN 0.655 nan 8.240 nan 0.000 0.540 33 C N 2.699 122.106 119.300 0.178 0.000 2.642 33 C HA 0.764 5.224 4.460 -0.000 0.000 0.344 33 C C -0.297 174.543 174.990 -0.251 0.000 1.110 33 C CA -0.338 58.667 59.018 -0.022 0.000 1.298 33 C CB 0.144 27.855 27.740 -0.047 0.000 1.827 33 C HN 1.313 nan 8.230 nan 0.000 0.467 34 A N 5.113 127.560 122.820 -0.621 0.000 2.288 34 A HA 0.722 5.042 4.320 -0.000 0.000 0.320 34 A C -1.048 176.303 177.584 -0.388 0.000 1.217 34 A CA -0.410 51.176 52.037 -0.751 0.000 0.840 34 A CB 0.849 18.923 19.000 -1.544 0.000 1.179 34 A HN 1.087 nan 8.150 nan 0.000 0.504 35 L N 3.748 124.853 121.223 -0.196 0.000 2.276 35 L HA 0.618 4.958 4.340 -0.000 0.000 0.286 35 L C -1.231 175.565 176.870 -0.123 0.000 1.024 35 L CA -0.360 54.386 54.840 -0.157 0.000 0.826 35 L CB 0.753 42.748 42.059 -0.106 0.000 1.211 35 L HN 0.564 nan 8.230 nan 0.000 0.422 36 L N 3.999 125.099 121.223 -0.206 0.000 2.322 36 L HA 0.738 5.077 4.340 -0.000 0.000 0.279 36 L C 0.027 176.845 176.870 -0.087 0.000 1.036 36 L CA 0.185 54.915 54.840 -0.183 0.000 0.807 36 L CB 1.807 43.639 42.059 -0.379 0.000 1.226 36 L HN 0.689 nan 8.230 nan 0.000 0.433 37 S N 0.686 116.392 115.700 0.011 0.000 2.533 37 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 37 S C 0.268 174.926 174.600 0.096 0.000 1.143 37 S CA -0.692 57.518 58.200 0.017 0.000 0.891 37 S CB 1.094 64.282 63.200 -0.019 0.000 1.105 37 S HN 0.716 nan 8.310 nan 0.000 0.468 38 K N 1.842 122.289 120.400 0.079 0.000 2.400 38 K HA 0.227 4.546 4.320 -0.000 0.000 0.194 38 K C 0.574 177.257 176.600 0.137 0.000 1.033 38 K CA 0.426 56.794 56.287 0.135 0.000 1.021 38 K CB -0.163 32.447 32.500 0.182 0.000 0.808 38 K HN 0.415 nan 8.250 nan 0.000 0.505 39 V N -1.957 118.029 119.914 0.119 0.000 3.046 39 V HA 0.459 4.579 4.120 -0.000 0.000 0.316 39 V C -0.203 175.980 176.094 0.148 0.000 1.104 39 V CA -1.516 60.874 62.300 0.150 0.000 1.006 39 V CB 0.989 32.892 31.823 0.132 0.000 1.058 39 V HN 0.105 nan 8.190 nan 0.000 0.440 40 F N 3.564 123.541 119.950 0.045 0.000 2.629 40 F HA 0.276 4.803 4.527 -0.000 0.000 0.377 40 F C -1.575 174.162 175.800 -0.106 0.000 1.101 40 F CA -0.914 57.072 58.000 -0.023 0.000 1.301 40 F CB 0.882 39.856 39.000 -0.044 0.000 1.062 40 F HN 0.439 nan 8.300 nan 0.000 0.583 41 P HA -0.182 nan 4.420 nan 0.000 0.216 41 P C 1.259 178.252 177.300 -0.512 0.000 1.150 41 P CA 2.421 65.157 63.100 -0.607 0.000 0.843 41 P CB -0.165 31.139 31.700 -0.660 0.000 0.787 42 T N -3.755 110.403 114.554 -0.660 0.000 3.194 42 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 42 T C 1.179 175.798 174.700 -0.135 0.000 1.132 42 T CA 0.050 61.885 62.100 -0.442 0.000 1.028 42 T CB -0.533 67.969 68.868 -0.611 0.000 0.976 42 T HN 0.064 nan 8.240 nan 0.000 0.535 43 R N 1.023 121.511 120.500 -0.019 0.000 2.393 43 R HA 0.317 4.657 4.340 -0.000 0.000 0.244 43 R C 0.309 176.643 176.300 0.057 0.000 0.920 43 R CA -0.150 55.992 56.100 0.070 0.000 1.076 43 R CB -0.045 30.334 30.300 0.133 0.000 1.119 43 R HN 0.307 nan 8.270 nan 0.000 0.524 44 S N 1.195 116.897 115.700 0.003 0.000 2.569 44 S HA -0.063 4.407 4.470 -0.000 0.000 0.274 44 S C 1.107 175.758 174.600 0.085 0.000 1.353 44 S CA -0.190 58.032 58.200 0.035 0.000 1.023 44 S CB 0.674 63.867 63.200 -0.012 0.000 0.876 44 S HN 0.405 nan 8.310 nan 0.000 0.540 45 H N 1.851 120.932 119.070 0.019 0.000 2.489 45 H HA -0.063 4.493 4.556 -0.000 0.000 0.293 45 H C 1.824 177.175 175.328 0.038 0.000 1.066 45 H CA 2.141 58.208 56.048 0.032 0.000 1.305 45 H CB -0.519 29.257 29.762 0.024 0.000 1.386 45 H HN 0.613 nan 8.280 nan 0.000 0.551 46 T N -0.571 113.975 114.554 -0.014 0.000 2.721 46 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 46 T C 2.152 176.807 174.700 -0.075 0.000 1.038 46 T CA 1.299 63.365 62.100 -0.057 0.000 1.145 46 T CB -0.721 68.137 68.868 -0.017 0.000 0.858 46 T HN 0.261 nan 8.240 nan 0.000 0.459 47 V N 0.947 120.834 119.914 -0.045 0.000 2.688 47 V HA -0.158 3.962 4.120 -0.000 0.000 0.256 47 V C 2.241 178.359 176.094 0.040 0.000 1.084 47 V CA 1.864 64.177 62.300 0.022 0.000 1.103 47 V CB -0.415 31.447 31.823 0.064 0.000 0.688 47 V HN 0.435 nan 8.190 nan 0.000 0.480 48 S N -0.519 115.126 115.700 -0.091 0.000 2.524 48 S HA 0.380 4.850 4.470 -0.000 0.000 0.216 48 S C 0.952 175.494 174.600 -0.097 0.000 0.987 48 S CA 0.360 58.498 58.200 -0.103 0.000 0.909 48 S CB -0.028 63.040 63.200 -0.219 0.000 0.781 48 S HN 0.708 nan 8.310 nan 0.000 0.521 49 A N 1.218 123.973 122.820 -0.107 0.000 2.520 49 A HA 0.240 4.560 4.320 -0.000 0.000 0.235 49 A C 0.827 178.434 177.584 0.038 0.000 1.065 49 A CA 0.169 52.192 52.037 -0.024 0.000 0.764 49 A CB 0.305 19.300 19.000 -0.008 0.000 1.002 49 A HN 0.486 nan 8.150 nan 0.000 0.502 50 Q N 1.647 121.495 119.800 0.079 0.000 2.618 50 Q HA 0.130 4.470 4.340 -0.000 0.000 0.209 50 Q C 2.092 178.169 176.000 0.127 0.000 0.797 50 Q CA 0.539 56.399 55.803 0.096 0.000 0.888 50 Q CB 0.055 28.848 28.738 0.093 0.000 1.244 50 Q HN 0.854 nan 8.270 nan 0.000 0.626 51 G N 0.440 109.361 108.800 0.202 0.000 2.408 51 G HA2 0.275 4.235 3.960 -0.000 0.000 0.217 51 G HA3 0.275 4.235 3.960 -0.000 0.000 0.217 51 G C 0.585 175.480 174.900 -0.008 0.000 1.150 51 G CA 0.860 46.119 45.100 0.265 0.000 0.776 51 G HN 0.510 nan 8.290 nan 0.000 0.542 52 G N -1.203 107.522 108.800 -0.125 0.000 2.350 52 G HA2 0.245 4.205 3.960 -0.000 0.000 0.282 52 G HA3 0.245 4.205 3.960 -0.000 0.000 0.282 52 G C -1.544 173.249 174.900 -0.177 0.000 1.314 52 G CA -0.702 44.322 45.100 -0.127 0.000 0.915 52 G HN 0.383 nan 8.290 nan 0.000 0.499 53 I N 1.301 121.808 120.570 -0.105 0.000 2.355 53 I HA 0.369 4.539 4.170 -0.000 0.000 0.288 53 I C 0.176 176.199 176.117 -0.156 0.000 0.999 53 I CA -0.587 60.665 61.300 -0.080 0.000 1.163 53 I CB 1.944 39.967 38.000 0.039 0.000 1.316 53 I HN 0.348 nan 8.210 nan 0.000 0.454 54 T N 6.052 120.503 114.554 -0.172 0.000 2.761 54 T HA 0.399 4.749 4.350 -0.000 0.000 0.296 54 T C -0.379 174.194 174.700 -0.212 0.000 0.934 54 T CA -0.160 61.804 62.100 -0.225 0.000 1.091 54 T CB 0.943 69.706 68.868 -0.175 0.000 0.896 54 T HN 0.380 nan 8.240 nan 0.000 0.515 55 V N 2.721 122.462 119.914 -0.290 0.000 2.950 55 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 55 V C -0.663 175.313 176.094 -0.196 0.000 1.297 55 V CA -0.947 61.242 62.300 -0.185 0.000 0.962 55 V CB 1.803 33.564 31.823 -0.103 0.000 1.081 55 V HN 0.940 nan 8.190 nan 0.000 0.432 56 A N 6.614 129.384 122.820 -0.084 0.000 3.052 56 A HA 0.358 4.678 4.320 -0.000 0.000 0.266 56 A C 1.007 178.532 177.584 -0.098 0.000 1.855 56 A CA 0.066 52.061 52.037 -0.070 0.000 1.473 56 A CB -0.653 18.379 19.000 0.054 0.000 1.038 56 A HN 0.966 nan 8.150 nan 0.000 0.619 57 L N 0.902 122.029 121.223 -0.161 0.000 2.141 57 L HA 0.015 4.354 4.340 -0.000 0.000 0.209 57 L C 1.945 178.719 176.870 -0.160 0.000 1.094 57 L CA 0.968 55.707 54.840 -0.168 0.000 0.763 57 L CB -0.374 41.554 42.059 -0.219 0.000 0.908 57 L HN 0.801 nan 8.230 nan 0.000 0.437 58 G N 0.010 108.691 108.800 -0.199 0.000 2.198 58 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 58 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 58 G C 0.505 175.295 174.900 -0.182 0.000 1.042 58 G CA 0.535 45.519 45.100 -0.193 0.000 0.791 58 G HN 0.326 nan 8.290 nan 0.000 0.502 59 N N -0.084 118.485 118.700 -0.218 0.000 2.197 59 N HA -0.004 4.736 4.740 -0.000 0.000 0.184 59 N C 2.297 177.715 175.510 -0.154 0.000 1.030 59 N CA 1.748 54.699 53.050 -0.166 0.000 0.851 59 N CB -0.549 37.839 38.487 -0.166 0.000 1.003 59 N HN 0.335 nan 8.380 nan 0.000 0.430 60 T N 0.171 114.585 114.554 -0.233 0.000 2.951 60 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 60 T C -0.095 174.583 174.700 -0.037 0.000 1.073 60 T CA 1.121 63.132 62.100 -0.148 0.000 1.134 60 T CB -0.198 68.563 68.868 -0.178 0.000 0.884 60 T HN 0.606 nan 8.240 nan 0.000 0.479 61 H N -1.558 117.501 119.070 -0.018 0.000 3.060 61 H HA 0.576 5.131 4.556 -0.000 0.000 0.330 61 H C -1.130 174.208 175.328 0.018 0.000 1.305 61 H CA -1.134 54.922 56.048 0.012 0.000 1.209 61 H CB 0.407 30.188 29.762 0.031 0.000 1.913 61 H HN -0.041 nan 8.280 nan 0.000 0.534 62 E N 0.695 121.024 120.200 0.215 0.000 2.502 62 E HA 0.090 4.440 4.350 -0.000 0.000 0.261 62 E C -0.680 176.064 176.600 0.239 0.000 0.974 62 E CA 0.680 57.159 56.400 0.132 0.000 0.936 62 E CB 0.459 30.223 29.700 0.108 0.000 0.926 62 E HN 0.533 nan 8.360 nan 0.000 0.459 63 D N 1.687 122.064 120.400 -0.039 0.000 2.636 63 D HA 0.405 5.045 4.640 -0.000 0.000 0.275 63 D C -1.598 174.339 176.300 -0.604 0.000 1.130 63 D CA -0.608 53.310 54.000 -0.138 0.000 1.031 63 D CB 1.352 42.116 40.800 -0.060 0.000 1.451 63 D HN 0.343 nan 8.370 nan 0.000 0.505 64 N N 0.815 119.057 118.700 -0.763 0.000 2.493 64 N HA 0.061 4.801 4.740 -0.000 0.000 0.279 64 N C 0.734 175.972 175.510 -0.454 0.000 1.082 64 N CA -0.663 51.860 53.050 -0.878 0.000 0.963 64 N CB 0.751 38.145 38.487 -1.822 0.000 1.627 64 N HN 0.639 nan 8.380 nan 0.000 0.499 65 W N 3.635 124.822 121.300 -0.187 0.000 2.364 65 W HA -0.034 4.626 4.660 -0.000 0.000 0.281 65 W C 0.442 177.016 176.519 0.091 0.000 1.219 65 W CA 0.694 58.037 57.345 -0.002 0.000 1.220 65 W CB -0.321 29.135 29.460 -0.007 0.000 1.127 65 W HN 0.569 nan 8.180 nan 0.000 0.556 66 E N 0.231 119.940 120.200 -0.819 0.000 2.106 66 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 66 E C 1.965 178.655 176.600 0.149 0.000 0.984 66 E CA 1.639 57.774 56.400 -0.442 0.000 0.806 66 E CB -0.619 28.797 29.700 -0.474 0.000 0.750 66 E HN 0.201 nan 8.360 nan 0.000 0.458 67 W N 0.828 121.972 121.300 -0.259 0.000 2.338 67 W HA -0.156 4.504 4.660 0.000 0.000 0.304 67 W C 2.112 178.681 176.519 0.083 0.000 1.212 67 W CA 0.968 58.151 57.345 -0.270 0.000 1.264 67 W CB -1.431 27.835 29.460 -0.324 0.000 1.142 67 W HN 0.344 nan 8.180 nan 0.000 0.512 68 H N -0.497 118.721 119.070 0.247 0.000 2.389 68 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 68 H C 2.324 177.787 175.328 0.224 0.000 1.081 68 H CA 1.627 57.806 56.048 0.218 0.000 1.345 68 H CB -0.109 29.770 29.762 0.195 0.000 1.393 68 H HN 0.041 nan 8.280 nan 0.000 0.520 69 M N 0.105 119.859 119.600 0.257 0.000 2.117 69 M HA -0.239 4.241 4.480 -0.000 0.000 0.262 69 M C 2.163 178.520 176.300 0.094 0.000 1.065 69 M CA 1.788 57.217 55.300 0.214 0.000 1.114 69 M CB -0.333 32.544 32.600 0.461 0.000 1.361 69 M HN 0.374 nan 8.290 nan 0.000 0.408 70 Y N 1.349 121.595 120.300 -0.089 0.000 2.097 70 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 70 Y C 1.863 177.622 175.900 -0.235 0.000 1.152 70 Y CA 2.305 60.095 58.100 -0.516 0.000 1.136 70 Y CB -0.511 37.802 38.460 -0.245 0.000 0.975 70 Y HN 0.340 nan 8.280 nan 0.000 0.498 71 D N -0.631 119.813 120.400 0.073 0.000 2.123 71 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 71 D C 2.089 178.360 176.300 -0.047 0.000 0.992 71 D CA 2.124 56.154 54.000 0.049 0.000 0.833 71 D CB -0.444 40.497 40.800 0.234 0.000 0.954 71 D HN 0.419 nan 8.370 nan 0.000 0.455 72 T N 0.448 114.995 114.554 -0.012 0.000 2.812 72 T HA -0.051 4.299 4.350 -0.000 0.000 0.264 72 T C 2.287 176.921 174.700 -0.110 0.000 1.042 72 T CA 0.511 62.603 62.100 -0.014 0.000 1.140 72 T CB -0.164 68.693 68.868 -0.019 0.000 0.870 72 T HN -0.031 nan 8.240 nan 0.000 0.445 73 V N 1.899 121.693 119.914 -0.201 0.000 2.295 73 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 73 V C 2.508 178.248 176.094 -0.591 0.000 1.049 73 V CA 1.734 63.868 62.300 -0.276 0.000 1.024 73 V CB -0.539 31.180 31.823 -0.174 0.000 0.648 73 V HN 0.459 nan 8.190 nan 0.000 0.447 74 K N 0.530 120.498 120.400 -0.719 0.000 2.097 74 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 74 K C 2.153 178.495 176.600 -0.430 0.000 1.050 74 K CA 1.588 57.385 56.287 -0.816 0.000 0.938 74 K CB -0.588 31.469 32.500 -0.737 0.000 0.718 74 K HN 0.448 nan 8.250 nan 0.000 0.442 75 G N 0.704 109.386 108.800 -0.198 0.000 2.442 75 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 75 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 75 G C 1.476 176.361 174.900 -0.026 0.000 1.141 75 G CA 1.122 46.226 45.100 0.006 0.000 0.763 75 G HN 0.515 nan 8.290 nan 0.000 0.554 76 S N -0.236 115.406 115.700 -0.096 0.000 2.607 76 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 76 S C 1.047 175.615 174.600 -0.054 0.000 0.969 76 S CA 1.025 59.204 58.200 -0.035 0.000 0.927 76 S CB -0.054 63.133 63.200 -0.021 0.000 0.772 76 S HN 0.307 nan 8.310 nan 0.000 0.533 77 D N 0.321 120.627 120.400 -0.155 0.000 2.772 77 D HA -0.251 4.389 4.640 -0.000 0.000 0.233 77 D C -0.517 175.819 176.300 0.060 0.000 1.143 77 D CA 1.009 54.974 54.000 -0.058 0.000 0.700 77 D CB -1.996 38.854 40.800 0.083 0.000 1.076 77 D HN 0.648 nan 8.370 nan 0.000 0.430 78 Y N -3.680 116.631 120.300 0.019 0.000 4.841 78 Y HA -0.340 4.210 4.550 -0.000 0.000 0.242 78 Y C 1.583 177.489 175.900 0.010 0.000 1.002 78 Y CA 1.205 59.318 58.100 0.020 0.000 2.011 78 Y CB -2.401 36.071 38.460 0.020 0.000 1.554 78 Y HN 0.482 nan 8.280 nan 0.000 0.618 79 I N -2.153 118.462 120.570 0.074 0.000 3.974 79 I HA 0.562 4.732 4.170 -0.000 0.000 0.334 79 I C 1.201 177.341 176.117 0.038 0.000 1.437 79 I CA 0.083 61.373 61.300 -0.017 0.000 1.113 79 I CB 0.278 38.227 38.000 -0.084 0.000 1.063 79 I HN 0.135 nan 8.210 nan 0.000 0.400 80 G N 1.224 110.068 108.800 0.073 0.000 2.390 80 G HA2 0.193 4.153 3.960 -0.000 0.000 0.270 80 G HA3 0.193 4.153 3.960 -0.000 0.000 0.270 80 G C -0.631 174.344 174.900 0.125 0.000 1.211 80 G CA -0.372 44.790 45.100 0.104 0.000 0.842 80 G HN 0.223 nan 8.290 nan 0.000 0.519 81 D N 1.943 122.432 120.400 0.148 0.000 2.371 81 D HA 0.024 4.664 4.640 -0.000 0.000 0.256 81 D C 1.288 177.663 176.300 0.125 0.000 1.193 81 D CA 0.276 54.360 54.000 0.140 0.000 0.881 81 D CB 1.755 42.623 40.800 0.114 0.000 1.143 81 D HN 0.493 nan 8.370 nan 0.000 0.473 82 Q N 1.411 121.297 119.800 0.144 0.000 2.187 82 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 82 Q C 1.384 177.493 176.000 0.182 0.000 0.957 82 Q CA 0.819 56.730 55.803 0.180 0.000 0.857 82 Q CB 0.206 29.069 28.738 0.208 0.000 0.929 82 Q HN 0.528 nan 8.270 nan 0.000 0.453 83 D N 0.771 121.257 120.400 0.144 0.000 2.144 83 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 83 D C 1.649 178.051 176.300 0.170 0.000 0.984 83 D CA 1.423 55.507 54.000 0.140 0.000 0.834 83 D CB -0.221 40.635 40.800 0.092 0.000 0.955 83 D HN 0.159 nan 8.370 nan 0.000 0.465 84 A N 0.702 123.611 122.820 0.150 0.000 1.897 84 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 84 A C 2.534 180.298 177.584 0.300 0.000 1.181 84 A CA 0.812 52.973 52.037 0.207 0.000 0.620 84 A CB -0.700 18.334 19.000 0.056 0.000 0.821 84 A HN 0.250 nan 8.150 nan 0.000 0.443 85 I N -0.301 120.392 120.570 0.204 0.000 2.286 85 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 85 I C 2.536 178.774 176.117 0.202 0.000 1.115 85 I CA 1.750 63.158 61.300 0.180 0.000 1.392 85 I CB -0.256 37.826 38.000 0.136 0.000 1.065 85 I HN 0.573 nan 8.210 nan 0.000 0.418 86 E N 0.745 121.093 120.200 0.247 0.000 2.077 86 E HA -0.304 4.046 4.350 -0.000 0.000 0.193 86 E C 2.315 178.954 176.600 0.065 0.000 0.989 86 E CA 1.428 57.986 56.400 0.263 0.000 0.800 86 E CB -0.268 29.606 29.700 0.290 0.000 0.746 86 E HN 0.511 nan 8.360 nan 0.000 0.452 87 Y N 0.926 121.234 120.300 0.013 0.000 2.145 87 Y HA -0.239 4.311 4.550 -0.000 0.000 0.286 87 Y C 2.388 178.204 175.900 -0.141 0.000 1.145 87 Y CA 2.312 60.373 58.100 -0.064 0.000 1.148 87 Y CB -0.264 38.216 38.460 0.033 0.000 0.981 87 Y HN 0.092 nan 8.280 nan 0.000 0.507 88 M N -1.082 118.525 119.600 0.013 0.000 2.086 88 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 88 M C 2.055 178.248 176.300 -0.178 0.000 1.067 88 M CA 2.318 57.527 55.300 -0.152 0.000 1.116 88 M CB -0.540 32.110 32.600 0.083 0.000 1.348 88 M HN 0.458 nan 8.290 nan 0.000 0.407 89 C N 0.104 119.350 119.300 -0.091 0.000 2.475 89 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 89 C C 2.627 177.580 174.990 -0.062 0.000 1.322 89 C CA 1.056 60.078 59.018 0.006 0.000 1.734 89 C CB -0.801 27.026 27.740 0.145 0.000 2.005 89 C HN 0.589 nan 8.230 nan 0.000 0.495 90 K N 1.059 121.196 120.400 -0.438 0.000 2.062 90 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 90 K C 1.794 178.036 176.600 -0.597 0.000 1.051 90 K CA 1.901 57.633 56.287 -0.924 0.000 0.941 90 K CB -0.665 31.025 32.500 -1.350 0.000 0.719 90 K HN 0.306 nan 8.250 nan 0.000 0.440 91 T N -0.081 114.123 114.554 -0.584 0.000 3.023 91 T HA 0.045 4.395 4.350 -0.000 0.000 0.266 91 T C 1.582 176.080 174.700 -0.337 0.000 1.093 91 T CA 0.852 62.636 62.100 -0.527 0.000 1.129 91 T CB -0.445 67.929 68.868 -0.823 0.000 0.899 91 T HN 0.510 nan 8.240 nan 0.000 0.491 92 G N 2.686 111.330 108.800 -0.261 0.000 2.553 92 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 92 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 92 G C -0.690 174.139 174.900 -0.118 0.000 1.195 92 G CA 0.844 45.859 45.100 -0.141 0.000 0.779 92 G HN 0.388 nan 8.290 nan 0.000 0.577 93 P HA -0.132 nan 4.420 nan 0.000 0.214 93 P C 1.763 178.988 177.300 -0.124 0.000 1.163 93 P CA 1.674 64.707 63.100 -0.112 0.000 0.889 93 P CB -0.065 31.577 31.700 -0.096 0.000 0.790 94 E N -0.277 119.846 120.200 -0.129 0.000 2.150 94 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 94 E C 1.815 178.351 176.600 -0.107 0.000 0.985 94 E CA 1.187 57.519 56.400 -0.114 0.000 0.814 94 E CB -0.438 29.197 29.700 -0.108 0.000 0.752 94 E HN 0.065 nan 8.360 nan 0.000 0.466 95 A N 1.079 123.830 122.820 -0.116 0.000 1.969 95 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 95 A C 2.033 179.578 177.584 -0.064 0.000 1.169 95 A CA 0.870 52.852 52.037 -0.091 0.000 0.635 95 A CB -0.230 18.705 19.000 -0.108 0.000 0.810 95 A HN 0.269 nan 8.150 nan 0.000 0.445 96 I N -0.308 120.220 120.570 -0.071 0.000 2.400 96 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 96 I C 2.336 178.418 176.117 -0.059 0.000 1.109 96 I CA 0.739 62.021 61.300 -0.030 0.000 1.425 96 I CB -1.370 36.597 38.000 -0.054 0.000 1.094 96 I HN 0.256 nan 8.210 nan 0.000 0.425 97 L N 0.490 121.622 121.223 -0.153 0.000 2.127 97 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 97 L C 2.503 179.133 176.870 -0.399 0.000 1.089 97 L CA 1.337 56.009 54.840 -0.279 0.000 0.757 97 L CB -0.481 41.413 42.059 -0.276 0.000 0.899 97 L HN 0.325 nan 8.230 nan 0.000 0.434 98 E N 0.639 120.714 120.200 -0.208 0.000 2.110 98 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 98 E C 2.338 178.913 176.600 -0.040 0.000 0.988 98 E CA 0.943 57.282 56.400 -0.102 0.000 0.804 98 E CB -0.007 29.678 29.700 -0.025 0.000 0.745 98 E HN 0.468 nan 8.360 nan 0.000 0.458 99 L N 1.003 122.221 121.223 -0.008 0.000 2.012 99 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 99 L C 2.854 179.763 176.870 0.064 0.000 1.073 99 L CA 1.344 56.206 54.840 0.037 0.000 0.748 99 L CB -0.626 41.482 42.059 0.082 0.000 0.891 99 L HN 0.237 nan 8.230 nan 0.000 0.431 100 E N 0.321 120.599 120.200 0.130 0.000 2.085 100 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 100 E C 2.006 178.678 176.600 0.119 0.000 0.994 100 E CA 1.655 58.159 56.400 0.174 0.000 0.801 100 E CB -0.126 29.681 29.700 0.178 0.000 0.743 100 E HN 0.651 nan 8.360 nan 0.000 0.453 101 H N -0.930 118.180 119.070 0.067 0.000 2.491 101 H HA 0.005 4.561 4.556 0.000 0.000 0.290 101 H C 1.939 177.276 175.328 0.014 0.000 1.050 101 H CA 0.810 56.876 56.048 0.031 0.000 1.309 101 H CB 0.056 29.827 29.762 0.015 0.000 1.392 101 H HN 0.153 nan 8.280 nan 0.000 0.554 102 M N -0.661 119.010 119.600 0.117 0.000 2.619 102 M HA 0.092 4.572 4.480 -0.000 0.000 0.251 102 M C 1.342 177.658 176.300 0.027 0.000 1.106 102 M CA 0.867 56.197 55.300 0.049 0.000 1.086 102 M CB 0.893 33.502 32.600 0.015 0.000 1.465 102 M HN 0.498 nan 8.290 nan 0.000 0.506 103 G N 1.162 109.987 108.800 0.041 0.000 2.168 103 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.197 103 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.197 103 G C -0.022 174.862 174.900 -0.026 0.000 0.997 103 G CA -0.588 44.524 45.100 0.021 0.000 0.658 103 G HN 0.396 nan 8.290 nan 0.000 0.513 104 L N 2.683 123.859 121.223 -0.079 0.000 2.667 104 L HA 0.223 4.563 4.340 -0.000 0.000 0.278 104 L C -1.021 175.705 176.870 -0.239 0.000 1.217 104 L CA -0.520 54.174 54.840 -0.243 0.000 0.935 104 L CB 0.548 42.328 42.059 -0.465 0.000 1.193 104 L HN 0.033 nan 8.230 nan 0.000 0.493 105 P HA 0.040 nan 4.420 nan 0.000 0.226 105 P C -0.475 176.782 177.300 -0.071 0.000 1.783 105 P CA -0.205 62.848 63.100 -0.079 0.000 0.980 105 P CB -0.381 31.296 31.700 -0.038 0.000 1.967 106 F N 0.589 120.556 119.950 0.028 0.000 2.595 106 F HA -0.026 4.501 4.527 -0.000 0.000 0.359 106 F C 1.721 177.545 175.800 0.041 0.000 1.147 106 F CA 0.812 58.834 58.000 0.036 0.000 1.341 106 F CB -0.021 38.995 39.000 0.027 0.000 1.104 106 F HN 0.087 nan 8.300 nan 0.000 0.603 107 S N 2.937 118.809 115.700 0.286 0.000 2.596 107 S HA 0.474 4.944 4.470 -0.000 0.000 0.260 107 S C -0.007 174.703 174.600 0.184 0.000 1.336 107 S CA -0.700 57.589 58.200 0.149 0.000 0.993 107 S CB 0.577 63.804 63.200 0.045 0.000 0.923 107 S HN 0.327 nan 8.310 nan 0.000 0.567 108 R N 0.588 121.144 120.500 0.092 0.000 2.673 108 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 108 R C -0.715 175.644 176.300 0.098 0.000 0.991 108 R CA -0.610 55.552 56.100 0.103 0.000 0.896 108 R CB 0.811 31.149 30.300 0.065 0.000 1.201 108 R HN 0.518 nan 8.270 nan 0.000 0.457 109 L N 1.452 122.752 121.223 0.128 0.000 2.476 109 L HA 0.062 4.402 4.340 -0.000 0.000 0.255 109 L C 1.251 178.156 176.870 0.058 0.000 1.218 109 L CA -0.268 54.638 54.840 0.111 0.000 0.819 109 L CB 0.403 42.515 42.059 0.089 0.000 1.119 109 L HN 0.480 nan 8.230 nan 0.000 0.485 110 D N 0.358 120.788 120.400 0.049 0.000 2.221 110 D HA -0.170 4.470 4.640 -0.000 0.000 0.204 110 D C 1.227 177.542 176.300 0.025 0.000 0.982 110 D CA 1.295 55.313 54.000 0.030 0.000 0.857 110 D CB -0.181 40.636 40.800 0.028 0.000 0.934 110 D HN 0.622 nan 8.370 nan 0.000 0.475 111 D N -1.472 118.943 120.400 0.026 0.000 2.340 111 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 111 D C 1.484 177.795 176.300 0.018 0.000 1.039 111 D CA 0.694 54.705 54.000 0.019 0.000 0.866 111 D CB -0.010 40.799 40.800 0.014 0.000 0.913 111 D HN 0.192 nan 8.370 nan 0.000 0.523 112 G N -0.080 108.735 108.800 0.025 0.000 2.176 112 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.232 112 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.232 112 G C 0.331 175.247 174.900 0.026 0.000 0.986 112 G CA -0.193 44.923 45.100 0.027 0.000 0.643 112 G HN 0.440 nan 8.290 nan 0.000 0.522 113 R N -0.246 120.263 120.500 0.014 0.000 2.543 113 R HA 0.612 4.952 4.340 -0.000 0.000 0.268 113 R C 0.855 177.149 176.300 -0.011 0.000 1.067 113 R CA -0.801 55.292 56.100 -0.012 0.000 1.142 113 R CB 0.824 31.102 30.300 -0.036 0.000 1.110 113 R HN 0.257 nan 8.270 nan 0.000 0.549 114 I N 2.337 122.857 120.570 -0.082 0.000 2.741 114 I HA -0.178 3.992 4.170 -0.000 0.000 0.288 114 I C 0.222 176.299 176.117 -0.066 0.000 1.192 114 I CA 0.440 61.661 61.300 -0.132 0.000 1.426 114 I CB -0.132 37.595 38.000 -0.454 0.000 1.367 114 I HN 0.444 nan 8.210 nan 0.000 0.563 115 Y N 7.722 127.973 120.300 -0.082 0.000 2.465 115 Y HA 0.132 4.682 4.550 -0.000 0.000 0.331 115 Y C -0.100 175.753 175.900 -0.078 0.000 1.102 115 Y CA -0.073 57.997 58.100 -0.051 0.000 1.358 115 Y CB 0.345 38.809 38.460 0.007 0.000 1.213 115 Y HN 0.498 nan 8.280 nan 0.000 0.525 116 Q N 6.755 126.155 119.800 -0.667 0.000 2.337 116 Q HA 0.452 4.792 4.340 -0.000 0.000 0.266 116 Q C -0.995 174.541 176.000 -0.773 0.000 1.023 116 Q CA -1.142 54.298 55.803 -0.604 0.000 0.829 116 Q CB 2.280 30.788 28.738 -0.385 0.000 1.306 116 Q HN 0.760 nan 8.270 nan 0.000 0.449 117 R N 0.755 120.963 120.500 -0.487 0.000 2.787 117 R HA 0.701 5.041 4.340 -0.000 0.000 0.271 117 R C -2.813 173.483 176.300 -0.007 0.000 0.993 117 R CA -2.234 53.731 56.100 -0.225 0.000 0.993 117 R CB 0.528 30.828 30.300 0.000 0.000 1.155 117 R HN 0.204 nan 8.270 nan 0.000 0.486 118 P HA 0.126 nan 4.420 nan 0.000 0.269 118 P C -1.341 176.123 177.300 0.273 0.000 1.215 118 P CA 0.084 63.262 63.100 0.132 0.000 0.780 118 P CB 0.327 32.080 31.700 0.090 0.000 0.898 119 F N -0.335 119.609 119.950 -0.011 0.000 2.745 119 F HA 0.533 5.060 4.527 0.000 0.000 0.316 119 F C 0.361 176.143 175.800 -0.030 0.000 1.155 119 F CA -0.469 57.521 58.000 -0.017 0.000 0.937 119 F CB 1.108 40.097 39.000 -0.018 0.000 1.361 119 F HN 0.292 nan 8.300 nan 0.000 0.472 120 G N 0.391 109.148 108.800 -0.072 0.000 2.441 120 G HA2 0.417 4.377 3.960 -0.000 0.000 0.243 120 G HA3 0.417 4.377 3.960 -0.000 0.000 0.243 120 G C 0.614 175.509 174.900 -0.009 0.000 1.281 120 G CA 0.281 45.315 45.100 -0.111 0.000 0.854 120 G HN 1.686 nan 8.290 nan 0.000 0.560 121 G N 0.756 109.525 108.800 -0.052 0.000 2.295 121 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.287 121 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.287 121 G C 0.122 175.109 174.900 0.144 0.000 1.055 121 G CA 0.476 45.616 45.100 0.067 0.000 0.922 121 G HN 0.871 nan 8.290 nan 0.000 0.503 122 Q N -0.202 119.674 119.800 0.126 0.000 2.330 122 Q HA 0.662 5.002 4.340 -0.000 0.000 0.269 122 Q C -0.080 175.978 176.000 0.097 0.000 1.022 122 Q CA -0.146 55.736 55.803 0.131 0.000 0.796 122 Q CB 2.257 31.069 28.738 0.122 0.000 1.271 122 Q HN 0.737 nan 8.270 nan 0.000 0.450 123 S N 1.460 117.211 115.700 0.084 0.000 2.588 123 S HA 0.631 5.101 4.470 -0.000 0.000 0.275 123 S C -1.016 173.486 174.600 -0.163 0.000 1.130 123 S CA -1.090 57.092 58.200 -0.029 0.000 0.855 123 S CB 1.988 65.186 63.200 -0.003 0.000 1.116 123 S HN 0.428 nan 8.310 nan 0.000 0.472 124 K N 0.830 120.990 120.400 -0.401 0.000 2.118 124 K HA 0.500 4.820 4.320 -0.000 0.000 0.254 124 K C -0.497 175.337 176.600 -1.275 0.000 0.961 124 K CA -0.795 54.932 56.287 -0.934 0.000 0.876 124 K CB 0.421 32.446 32.500 -0.792 0.000 1.077 124 K HN 0.815 nan 8.250 nan 0.000 0.440 125 N N 1.059 118.317 118.700 -2.403 0.000 2.735 125 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 125 N C -1.258 173.769 175.510 -0.805 0.000 1.083 125 N CA 0.580 52.768 53.050 -1.437 0.000 0.703 125 N CB -1.613 36.450 38.487 -0.708 0.000 1.005 125 N HN 0.612 nan 8.380 nan 0.000 0.550 126 F N -1.837 117.626 119.950 -0.810 0.000 2.807 126 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 126 F C 1.466 176.735 175.800 -0.885 0.000 1.024 126 F CA 1.205 58.599 58.000 -1.009 0.000 1.008 126 F CB -1.768 36.755 39.000 -0.794 0.000 1.142 126 F HN 0.515 nan 8.300 nan 0.000 0.829 127 G N -1.329 107.254 108.800 -0.362 0.000 2.163 127 G HA2 0.100 4.060 3.960 -0.000 0.000 0.213 127 G HA3 0.100 4.060 3.960 -0.000 0.000 0.213 127 G C 0.881 175.725 174.900 -0.094 0.000 0.991 127 G CA -0.022 45.050 45.100 -0.046 0.000 0.653 127 G HN 1.313 nan 8.290 nan 0.000 0.518 128 G N -0.132 108.540 108.800 -0.214 0.000 2.935 128 G HA2 0.445 4.405 3.960 -0.000 0.000 0.157 128 G HA3 0.445 4.405 3.960 -0.000 0.000 0.157 128 G C 0.352 175.156 174.900 -0.160 0.000 1.712 128 G CA 0.477 45.459 45.100 -0.198 0.000 1.071 128 G HN 0.722 nan 8.290 nan 0.000 0.539 129 E N 0.085 120.168 120.200 -0.195 0.000 2.398 129 E HA 0.121 4.471 4.350 -0.000 0.000 0.263 129 E C 0.077 176.595 176.600 -0.137 0.000 1.046 129 E CA -0.381 55.928 56.400 -0.151 0.000 0.908 129 E CB 0.482 30.079 29.700 -0.171 0.000 0.963 129 E HN 0.257 nan 8.360 nan 0.000 0.431 130 Q N 1.920 121.672 119.800 -0.080 0.000 2.269 130 Q HA 0.081 4.421 4.340 -0.000 0.000 0.300 130 Q C -1.290 174.668 176.000 -0.070 0.000 1.070 130 Q CA 0.566 56.343 55.803 -0.044 0.000 0.957 130 Q CB 0.684 29.412 28.738 -0.017 0.000 1.131 130 Q HN 0.510 nan 8.270 nan 0.000 0.377 131 A N 3.376 126.190 122.820 -0.010 0.000 2.269 131 A HA 0.851 5.171 4.320 -0.000 0.000 0.327 131 A C -0.868 176.831 177.584 0.191 0.000 1.112 131 A CA -0.204 51.873 52.037 0.067 0.000 0.865 131 A CB 1.257 20.350 19.000 0.156 0.000 1.227 131 A HN 0.977 nan 8.150 nan 0.000 0.498 132 A N 0.691 123.759 122.820 0.413 0.000 2.646 132 A HA 0.567 4.887 4.320 -0.000 0.000 0.312 132 A C 0.225 177.792 177.584 -0.029 0.000 1.245 132 A CA -0.488 51.635 52.037 0.145 0.000 0.755 132 A CB 0.034 19.095 19.000 0.101 0.000 1.132 132 A HN 1.000 nan 8.150 nan 0.000 0.458 133 R N 0.328 120.791 120.500 -0.062 0.000 2.600 133 R HA 0.216 4.556 4.340 -0.000 0.000 0.392 133 R C -0.826 175.335 176.300 -0.233 0.000 1.032 133 R CA -0.063 55.927 56.100 -0.183 0.000 1.139 133 R CB 0.166 30.363 30.300 -0.170 0.000 1.400 133 R HN 0.287 nan 8.270 nan 0.000 0.566 134 T N 1.721 116.139 114.554 -0.227 0.000 2.738 134 T HA 0.489 4.839 4.350 -0.000 0.000 0.298 134 T C 0.058 174.606 174.700 -0.253 0.000 0.962 134 T CA -0.313 61.603 62.100 -0.305 0.000 0.972 134 T CB 1.271 69.820 68.868 -0.532 0.000 0.928 134 T HN 0.383 nan 8.240 nan 0.000 0.474 135 A N 3.201 125.892 122.820 -0.215 0.000 2.401 135 A HA 0.731 5.051 4.320 -0.000 0.000 0.259 135 A C 0.375 178.005 177.584 0.077 0.000 1.103 135 A CA -0.576 51.361 52.037 -0.167 0.000 0.789 135 A CB 0.118 18.905 19.000 -0.354 0.000 1.035 135 A HN 1.017 nan 8.150 nan 0.000 0.491 136 A N 1.261 124.223 122.820 0.237 0.000 2.475 136 A HA 0.764 5.084 4.320 -0.000 0.000 0.301 136 A C -0.213 177.606 177.584 0.392 0.000 1.059 136 A CA 0.039 52.261 52.037 0.309 0.000 0.710 136 A CB 1.411 20.576 19.000 0.275 0.000 1.288 136 A HN 2.206 nan 8.150 nan 0.000 0.408 137 A N 1.703 124.658 122.820 0.226 0.000 2.540 137 A HA 0.735 5.055 4.320 -0.000 0.000 0.340 137 A C 0.977 178.617 177.584 0.093 0.000 1.424 137 A CA 0.702 52.813 52.037 0.125 0.000 0.940 137 A CB -1.018 17.985 19.000 0.005 0.000 1.149 137 A HN 2.844 nan 8.150 nan 0.000 0.505 138 A N 2.392 125.262 122.820 0.082 0.000 5.395 138 A HA -0.268 4.052 4.320 -0.000 0.000 0.324 138 A C 0.761 178.401 177.584 0.092 0.000 1.813 138 A CA 1.844 53.913 52.037 0.053 0.000 0.714 138 A CB -1.305 17.703 19.000 0.014 0.000 1.374 138 A HN 1.567 nan 8.150 nan 0.000 0.390 139 D N -0.464 119.977 120.400 0.067 0.000 2.891 139 D HA 0.398 5.038 4.640 -0.000 0.000 0.312 139 D C 0.331 176.669 176.300 0.064 0.000 1.354 139 D CA -0.046 54.005 54.000 0.085 0.000 0.838 139 D CB -0.246 40.603 40.800 0.082 0.000 1.117 139 D HN 0.587 nan 8.370 nan 0.000 0.473 140 R N -0.320 120.216 120.500 0.061 0.000 2.698 140 R HA 0.219 4.559 4.340 -0.000 0.000 0.422 140 R C 0.394 176.754 176.300 0.100 0.000 1.073 140 R CA -0.188 55.952 56.100 0.066 0.000 1.054 140 R CB 0.416 30.725 30.300 0.016 0.000 1.373 140 R HN -0.025 nan 8.270 nan 0.000 0.593 141 T N -0.506 114.094 114.554 0.076 0.000 2.904 141 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 141 T C 1.995 176.712 174.700 0.027 0.000 1.059 141 T CA 1.524 63.650 62.100 0.042 0.000 1.137 141 T CB 0.072 68.974 68.868 0.057 0.000 0.879 141 T HN 0.534 nan 8.240 nan 0.000 0.467 142 G N 0.840 109.670 108.800 0.050 0.000 2.418 142 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 142 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 142 G C 1.258 176.192 174.900 0.056 0.000 1.158 142 G CA 1.133 46.251 45.100 0.030 0.000 0.771 142 G HN 0.636 nan 8.290 nan 0.000 0.545 143 H N 1.079 120.167 119.070 0.030 0.000 2.319 143 H HA 0.072 4.628 4.556 -0.000 0.000 0.299 143 H C 2.676 178.080 175.328 0.127 0.000 1.092 143 H CA 2.211 58.324 56.048 0.108 0.000 1.302 143 H CB -0.278 29.535 29.762 0.084 0.000 1.373 143 H HN 0.279 nan 8.280 nan 0.000 0.497 144 A N 0.642 123.493 122.820 0.052 0.000 1.902 144 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 144 A C 2.438 179.951 177.584 -0.119 0.000 1.181 144 A CA 1.629 53.631 52.037 -0.058 0.000 0.623 144 A CB -0.987 17.961 19.000 -0.086 0.000 0.818 144 A HN 0.518 nan 8.150 nan 0.000 0.443 145 L N -0.967 120.190 121.223 -0.111 0.000 2.017 145 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 145 L C 2.230 179.050 176.870 -0.083 0.000 1.073 145 L CA 2.092 56.868 54.840 -0.107 0.000 0.745 145 L CB -0.563 41.455 42.059 -0.069 0.000 0.894 145 L HN 0.316 nan 8.230 nan 0.000 0.432 146 L N -1.036 120.130 121.223 -0.095 0.000 2.072 146 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 146 L C 2.601 179.364 176.870 -0.180 0.000 1.079 146 L CA 1.694 56.451 54.840 -0.139 0.000 0.752 146 L CB -0.927 41.024 42.059 -0.181 0.000 0.906 146 L HN 0.400 nan 8.230 nan 0.000 0.436 147 H N -1.262 117.711 119.070 -0.161 0.000 2.387 147 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 147 H C 1.957 177.268 175.328 -0.028 0.000 1.090 147 H CA 1.877 57.864 56.048 -0.102 0.000 1.332 147 H CB -0.200 29.415 29.762 -0.246 0.000 1.386 147 H HN 0.370 nan 8.280 nan 0.000 0.516 148 T N 1.406 115.973 114.554 0.021 0.000 2.708 148 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 148 T C 2.442 177.131 174.700 -0.019 0.000 1.037 148 T CA 0.672 62.766 62.100 -0.011 0.000 1.146 148 T CB -0.300 68.533 68.868 -0.059 0.000 0.865 148 T HN 0.182 nan 8.240 nan 0.000 0.435 149 L N -0.372 120.835 121.223 -0.025 0.000 2.083 149 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 149 L C 2.399 179.259 176.870 -0.016 0.000 1.083 149 L CA 1.363 56.186 54.840 -0.028 0.000 0.752 149 L CB -0.536 41.505 42.059 -0.030 0.000 0.899 149 L HN 0.260 nan 8.230 nan 0.000 0.433 150 Y N 1.121 121.344 120.300 -0.128 0.000 2.145 150 Y HA -0.303 4.247 4.550 0.000 0.000 0.286 150 Y C 2.665 178.514 175.900 -0.085 0.000 1.145 150 Y CA 1.662 59.679 58.100 -0.139 0.000 1.148 150 Y CB -0.339 38.005 38.460 -0.193 0.000 0.981 150 Y HN 0.192 nan 8.280 nan 0.000 0.507 151 Q N -0.504 119.233 119.800 -0.104 0.000 2.096 151 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 151 Q C 2.176 178.057 176.000 -0.197 0.000 0.982 151 Q CA 1.709 57.415 55.803 -0.163 0.000 0.850 151 Q CB -0.199 28.517 28.738 -0.036 0.000 0.901 151 Q HN 0.504 nan 8.270 nan 0.000 0.422 152 Q N 0.303 120.018 119.800 -0.142 0.000 2.119 152 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 152 Q C 1.657 177.551 176.000 -0.176 0.000 0.972 152 Q CA 0.927 56.652 55.803 -0.131 0.000 0.847 152 Q CB -0.277 28.412 28.738 -0.082 0.000 0.903 152 Q HN 0.465 nan 8.270 nan 0.000 0.433 153 N N 0.434 119.007 118.700 -0.211 0.000 2.244 153 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 153 N C 1.978 177.305 175.510 -0.305 0.000 1.016 153 N CA 0.580 53.494 53.050 -0.226 0.000 0.866 153 N CB 0.040 38.412 38.487 -0.192 0.000 0.980 153 N HN 0.241 nan 8.380 nan 0.000 0.430 154 L N 1.249 122.219 121.223 -0.422 0.000 2.027 154 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 154 L C 2.561 179.199 176.870 -0.388 0.000 1.074 154 L CA 1.112 55.720 54.840 -0.386 0.000 0.745 154 L CB -0.381 41.448 42.059 -0.383 0.000 0.898 154 L HN 0.107 nan 8.230 nan 0.000 0.433 155 K N 0.722 120.923 120.400 -0.332 0.000 2.103 155 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 155 K C 1.680 178.005 176.600 -0.459 0.000 1.048 155 K CA 2.018 58.098 56.287 -0.345 0.000 0.930 155 K CB -0.071 32.310 32.500 -0.199 0.000 0.716 155 K HN 0.215 nan 8.250 nan 0.000 0.444 156 N N -0.284 118.223 118.700 -0.322 0.000 2.336 156 N HA -0.086 4.654 4.740 -0.000 0.000 0.189 156 N C -0.708 174.732 175.510 -0.115 0.000 1.113 156 N CA 0.213 53.144 53.050 -0.198 0.000 0.858 156 N CB 0.219 38.640 38.487 -0.110 0.000 0.970 156 N HN 0.239 nan 8.380 nan 0.000 0.471 157 H N -1.535 117.492 119.070 -0.073 0.000 2.862 157 H HA -0.145 4.411 4.556 -0.000 0.000 0.290 157 H C -0.607 174.687 175.328 -0.057 0.000 1.211 157 H CA 1.188 57.199 56.048 -0.061 0.000 1.140 157 H CB -2.721 27.018 29.762 -0.039 0.000 1.341 157 H HN 0.231 nan 8.280 nan 0.000 0.392 158 T N 1.625 116.174 114.554 -0.009 0.000 2.933 158 T HA 0.069 4.419 4.350 -0.000 0.000 0.306 158 T C 0.996 175.678 174.700 -0.030 0.000 1.045 158 T CA 0.560 62.644 62.100 -0.026 0.000 1.143 158 T CB 0.645 69.471 68.868 -0.069 0.000 1.003 158 T HN 0.235 nan 8.240 nan 0.000 0.540 159 T N 5.063 119.602 114.554 -0.025 0.000 2.743 159 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 159 T C 0.395 175.004 174.700 -0.152 0.000 0.908 159 T CA -0.126 61.931 62.100 -0.071 0.000 1.092 159 T CB -0.386 68.510 68.868 0.045 0.000 0.882 159 T HN 0.370 nan 8.240 nan 0.000 0.531 160 I N 3.429 123.862 120.570 -0.229 0.000 2.404 160 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 160 I C -0.656 175.256 176.117 -0.341 0.000 0.992 160 I CA -0.884 60.312 61.300 -0.172 0.000 1.149 160 I CB 1.552 39.515 38.000 -0.062 0.000 1.315 160 I HN 0.521 nan 8.210 nan 0.000 0.446 161 F N 4.259 124.123 119.950 -0.143 0.000 2.307 161 F HA 0.252 4.779 4.527 -0.000 0.000 0.369 161 F C 0.737 176.624 175.800 0.144 0.000 1.076 161 F CA -0.393 57.517 58.000 -0.150 0.000 1.149 161 F CB 1.372 39.930 39.000 -0.736 0.000 1.410 161 F HN 0.329 nan 8.300 nan 0.000 0.481 162 S N 2.709 118.640 115.700 0.386 0.000 2.513 162 S HA 0.257 4.727 4.470 -0.000 0.000 0.276 162 S C 0.226 175.089 174.600 0.438 0.000 1.254 162 S CA -0.196 58.204 58.200 0.333 0.000 1.053 162 S CB 0.187 63.559 63.200 0.285 0.000 0.958 162 S HN 0.754 nan 8.310 nan 0.000 0.491 163 E N 1.962 122.355 120.200 0.321 0.000 2.340 163 E HA -0.183 4.167 4.350 -0.000 0.000 0.240 163 E C -1.614 175.067 176.600 0.135 0.000 1.154 163 E CA 0.566 57.092 56.400 0.211 0.000 0.717 163 E CB -1.365 28.447 29.700 0.186 0.000 1.250 163 E HN 0.594 nan 8.360 nan 0.000 0.386 164 W N 0.607 121.962 121.300 0.091 0.000 2.573 164 W HA 0.459 5.119 4.660 0.000 0.000 0.326 164 W C -0.052 176.496 176.519 0.049 0.000 1.049 164 W CA -0.692 56.704 57.345 0.084 0.000 1.220 164 W CB 0.720 30.224 29.460 0.074 0.000 1.373 164 W HN 0.190 nan 8.180 nan 0.000 0.507 165 Y N 3.216 123.597 120.300 0.135 0.000 2.434 165 Y HA 0.626 5.176 4.550 0.000 0.000 0.341 165 Y C 0.300 176.253 175.900 0.087 0.000 0.965 165 Y CA -1.114 57.021 58.100 0.057 0.000 1.205 165 Y CB 0.289 38.733 38.460 -0.027 0.000 1.121 165 Y HN 0.518 nan 8.280 nan 0.000 0.507 166 A N 6.845 129.444 122.820 -0.368 0.000 2.492 166 A HA 0.244 4.564 4.320 -0.000 0.000 0.254 166 A C 0.200 177.638 177.584 -0.245 0.000 1.091 166 A CA -0.043 51.858 52.037 -0.227 0.000 0.768 166 A CB 0.172 19.028 19.000 -0.239 0.000 1.028 166 A HN 1.080 nan 8.150 nan 0.000 0.498 167 L N 1.415 122.658 121.223 0.034 0.000 2.187 167 L HA 0.259 4.599 4.340 -0.000 0.000 0.197 167 L C 0.309 177.231 176.870 0.088 0.000 1.090 167 L CA 0.623 55.545 54.840 0.136 0.000 0.781 167 L CB -0.008 42.165 42.059 0.191 0.000 0.956 167 L HN 0.592 nan 8.230 nan 0.000 0.463 168 D N -1.376 119.071 120.400 0.077 0.000 2.609 168 D HA 0.402 5.042 4.640 -0.000 0.000 0.239 168 D C -1.065 175.271 176.300 0.060 0.000 1.229 168 D CA -0.492 53.544 54.000 0.061 0.000 0.808 168 D CB 2.574 43.414 40.800 0.066 0.000 1.448 168 D HN -0.148 nan 8.370 nan 0.000 0.433 169 L N 0.653 121.904 121.223 0.046 0.000 2.452 169 L HA 0.318 4.658 4.340 -0.000 0.000 0.267 169 L C 0.105 177.006 176.870 0.053 0.000 1.188 169 L CA -0.494 54.379 54.840 0.056 0.000 0.821 169 L CB 0.672 42.755 42.059 0.039 0.000 1.102 169 L HN 0.016 nan 8.230 nan 0.000 0.470 170 V N 2.902 122.861 119.914 0.074 0.000 2.398 170 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 170 V C 0.067 176.184 176.094 0.037 0.000 1.026 170 V CA -0.752 61.563 62.300 0.026 0.000 0.868 170 V CB 1.421 33.237 31.823 -0.013 0.000 0.982 170 V HN 0.635 nan 8.190 nan 0.000 0.443 171 K N 3.438 123.842 120.400 0.006 0.000 2.203 171 K HA 0.480 4.800 4.320 -0.000 0.000 0.251 171 K C -0.353 176.247 176.600 -0.000 0.000 0.944 171 K CA -0.741 55.553 56.287 0.010 0.000 0.829 171 K CB 1.888 34.389 32.500 0.001 0.000 1.125 171 K HN 0.849 nan 8.250 nan 0.000 0.430 172 N N 0.356 119.063 118.700 0.011 0.000 2.448 172 N HA -0.052 4.688 4.740 -0.000 0.000 0.274 172 N C 0.716 176.225 175.510 -0.002 0.000 1.239 172 N CA -0.278 52.776 53.050 0.006 0.000 0.982 172 N CB 0.247 38.747 38.487 0.021 0.000 1.199 172 N HN 0.579 nan 8.380 nan 0.000 0.576 173 Q N -1.702 118.096 119.800 -0.003 0.000 2.364 173 Q HA -0.075 4.265 4.340 -0.000 0.000 0.207 173 Q C -0.397 175.600 176.000 -0.006 0.000 0.970 173 Q CA 1.290 57.089 55.803 -0.006 0.000 0.888 173 Q CB -0.277 28.457 28.738 -0.006 0.000 0.951 173 Q HN 0.544 nan 8.270 nan 0.000 0.469 174 D N 0.491 120.890 120.400 -0.002 0.000 2.340 174 D HA 0.086 4.726 4.640 -0.000 0.000 0.220 174 D C 0.839 177.135 176.300 -0.008 0.000 1.039 174 D CA 0.880 54.878 54.000 -0.004 0.000 0.866 174 D CB 0.608 41.407 40.800 -0.000 0.000 0.913 174 D HN 0.548 nan 8.370 nan 0.000 0.523 175 G N 0.808 109.603 108.800 -0.008 0.000 2.143 175 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 175 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 175 G C 0.448 175.341 174.900 -0.010 0.000 0.981 175 G CA 0.189 45.282 45.100 -0.012 0.000 0.665 175 G HN 0.602 nan 8.290 nan 0.000 0.528 176 A N -0.393 122.427 122.820 -0.000 0.000 2.304 176 A HA 0.778 5.098 4.320 -0.000 0.000 0.301 176 A C 0.492 178.089 177.584 0.022 0.000 1.132 176 A CA -0.122 51.919 52.037 0.006 0.000 0.819 176 A CB 1.429 20.438 19.000 0.015 0.000 1.094 176 A HN 1.096 nan 8.150 nan 0.000 0.492 177 V N 2.563 122.493 119.914 0.027 0.000 2.488 177 V HA 0.257 4.377 4.120 -0.000 0.000 0.277 177 V C 0.831 176.980 176.094 0.091 0.000 1.046 177 V CA 0.530 62.863 62.300 0.054 0.000 0.986 177 V CB 1.147 32.999 31.823 0.048 0.000 0.989 177 V HN 1.015 nan 8.190 nan 0.000 0.475 178 V N 2.059 122.048 119.914 0.124 0.000 2.991 178 V HA 0.879 4.999 4.120 -0.000 0.000 0.355 178 V C 0.484 176.724 176.094 0.244 0.000 1.384 178 V CA 0.433 62.833 62.300 0.167 0.000 1.171 178 V CB -0.385 31.542 31.823 0.172 0.000 1.190 178 V HN 1.294 nan 8.190 nan 0.000 0.540 179 G N -0.237 108.694 108.800 0.219 0.000 2.280 179 G HA2 0.263 4.223 3.960 -0.000 0.000 0.277 179 G HA3 0.263 4.223 3.960 -0.000 0.000 0.277 179 G C -0.550 174.505 174.900 0.259 0.000 1.288 179 G CA 0.306 45.548 45.100 0.237 0.000 1.075 179 G HN 1.808 nan 8.290 nan 0.000 0.480 180 C N -1.796 117.691 119.300 0.312 0.000 3.288 180 C HA 0.951 5.411 4.460 -0.000 0.000 0.318 180 C C 0.365 175.573 174.990 0.363 0.000 1.356 180 C CA 0.239 59.405 59.018 0.247 0.000 1.359 180 C CB 1.128 28.933 27.740 0.109 0.000 1.688 180 C HN 1.968 nan 8.230 nan 0.000 0.467 181 T N 0.182 114.894 114.554 0.264 0.000 2.909 181 T HA 0.795 5.145 4.350 -0.000 0.000 0.286 181 T C -0.105 174.773 174.700 0.296 0.000 1.002 181 T CA 0.198 62.478 62.100 0.299 0.000 1.074 181 T CB 1.370 70.354 68.868 0.193 0.000 0.984 181 T HN 2.174 nan 8.240 nan 0.000 0.495 182 A N 1.847 124.914 122.820 0.412 0.000 2.539 182 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 182 A C -1.330 176.548 177.584 0.490 0.000 1.073 182 A CA -1.002 51.294 52.037 0.431 0.000 0.700 182 A CB 1.672 20.948 19.000 0.459 0.000 1.296 182 A HN 1.008 nan 8.150 nan 0.000 0.405 183 L N 1.666 123.112 121.223 0.372 0.000 2.313 183 L HA 0.656 4.996 4.340 -0.000 0.000 0.283 183 L C -0.314 176.505 176.870 -0.084 0.000 1.013 183 L CA -0.382 54.554 54.840 0.160 0.000 0.816 183 L CB 1.247 43.373 42.059 0.112 0.000 1.236 183 L HN 0.858 nan 8.230 nan 0.000 0.419 184 C N 6.445 125.420 119.300 -0.540 0.000 2.442 184 C HA 0.320 4.780 4.460 -0.000 0.000 0.362 184 C C 1.780 176.389 174.990 -0.635 0.000 1.242 184 C CA -0.489 57.780 59.018 -1.249 0.000 1.741 184 C CB -1.423 25.340 27.740 -1.629 0.000 2.378 184 C HN 0.986 nan 8.230 nan 0.000 0.549 185 I N 3.386 123.628 120.570 -0.547 0.000 2.315 185 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 185 I C 2.558 178.378 176.117 -0.495 0.000 1.117 185 I CA 1.476 62.459 61.300 -0.528 0.000 1.404 185 I CB -0.410 37.191 38.000 -0.664 0.000 1.071 185 I HN 0.824 nan 8.210 nan 0.000 0.419 186 E N 0.790 120.813 120.200 -0.296 0.000 2.058 186 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 186 E C 1.937 178.514 176.600 -0.038 0.000 0.997 186 E CA 2.328 58.731 56.400 0.005 0.000 0.801 186 E CB 0.081 29.832 29.700 0.085 0.000 0.746 186 E HN 0.567 nan 8.360 nan 0.000 0.450 187 T N -4.490 109.987 114.554 -0.128 0.000 3.001 187 T HA 0.320 4.670 4.350 -0.000 0.000 0.251 187 T C 1.383 176.030 174.700 -0.088 0.000 1.040 187 T CA 0.596 62.653 62.100 -0.073 0.000 0.985 187 T CB 0.864 69.701 68.868 -0.051 0.000 1.011 187 T HN 0.342 nan 8.240 nan 0.000 0.509 188 G N 1.577 110.286 108.800 -0.151 0.000 2.189 188 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 188 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 188 G C -0.129 174.720 174.900 -0.085 0.000 0.975 188 G CA 0.388 45.416 45.100 -0.120 0.000 0.644 188 G HN 0.847 nan 8.290 nan 0.000 0.537 189 E N 0.095 120.237 120.200 -0.098 0.000 2.392 189 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 189 E C -0.011 176.604 176.600 0.025 0.000 1.024 189 E CA -0.254 56.134 56.400 -0.020 0.000 0.903 189 E CB 0.665 30.378 29.700 0.022 0.000 0.963 189 E HN 0.151 nan 8.360 nan 0.000 0.432 190 V N 5.082 125.053 119.914 0.095 0.000 2.417 190 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 190 V C -0.296 175.914 176.094 0.193 0.000 1.024 190 V CA -0.640 61.754 62.300 0.155 0.000 0.861 190 V CB 1.659 33.550 31.823 0.114 0.000 0.985 190 V HN 0.468 nan 8.190 nan 0.000 0.436 191 V N 4.163 124.240 119.914 0.273 0.000 2.925 191 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 191 V C -1.385 174.819 176.094 0.184 0.000 1.104 191 V CA -0.895 61.504 62.300 0.165 0.000 0.954 191 V CB 2.405 34.270 31.823 0.070 0.000 1.022 191 V HN 0.747 nan 8.190 nan 0.000 0.427 192 Y N 3.934 124.191 120.300 -0.072 0.000 2.404 192 Y HA 0.575 5.125 4.550 0.000 0.000 0.344 192 Y C -0.789 175.012 175.900 -0.163 0.000 0.970 192 Y CA -1.865 56.216 58.100 -0.032 0.000 1.180 192 Y CB 0.609 39.060 38.460 -0.015 0.000 1.138 192 Y HN 0.478 nan 8.280 nan 0.000 0.510 193 F N 6.474 126.339 119.950 -0.143 0.000 2.404 193 F HA 0.273 4.800 4.527 -0.000 0.000 0.359 193 F C 0.537 176.025 175.800 -0.519 0.000 1.134 193 F CA -0.282 57.531 58.000 -0.311 0.000 1.160 193 F CB 0.539 39.402 39.000 -0.229 0.000 1.186 193 F HN 0.377 nan 8.300 nan 0.000 0.526 194 K N 3.416 123.417 120.400 -0.666 0.000 2.201 194 K HA 0.789 5.109 4.320 -0.000 0.000 0.278 194 K C -0.931 175.596 176.600 -0.123 0.000 1.027 194 K CA -0.325 55.600 56.287 -0.604 0.000 0.909 194 K CB 0.845 32.922 32.500 -0.704 0.000 1.062 194 K HN 0.702 nan 8.250 nan 0.000 0.465 195 A N 3.898 126.715 122.820 -0.005 0.000 2.606 195 A HA 0.392 4.712 4.320 -0.000 0.000 0.293 195 A C -0.289 177.337 177.584 0.071 0.000 1.082 195 A CA -0.862 51.210 52.037 0.057 0.000 0.685 195 A CB 1.540 20.587 19.000 0.078 0.000 1.284 195 A HN 0.899 nan 8.150 nan 0.000 0.408 196 R N 0.009 120.549 120.500 0.067 0.000 2.210 196 R HA 0.386 4.726 4.340 -0.000 0.000 0.203 196 R C 0.512 176.885 176.300 0.122 0.000 1.010 196 R CA 1.329 57.478 56.100 0.082 0.000 1.008 196 R CB 0.370 30.706 30.300 0.060 0.000 0.923 196 R HN 0.800 nan 8.270 nan 0.000 0.469 197 A N 0.522 123.392 122.820 0.084 0.000 2.385 197 A HA 0.448 4.768 4.320 -0.000 0.000 0.290 197 A C -0.906 176.717 177.584 0.066 0.000 1.094 197 A CA -0.564 51.532 52.037 0.099 0.000 0.729 197 A CB 1.335 20.186 19.000 -0.248 0.000 1.194 197 A HN -0.011 nan 8.150 nan 0.000 0.442 198 T N 2.318 116.983 114.554 0.186 0.000 2.743 198 T HA 0.479 4.829 4.350 -0.000 0.000 0.292 198 T C -0.327 174.463 174.700 0.151 0.000 0.972 198 T CA -0.164 62.002 62.100 0.110 0.000 0.967 198 T CB 0.856 69.787 68.868 0.106 0.000 0.926 198 T HN 0.435 nan 8.240 nan 0.000 0.459 199 V N 5.769 125.708 119.914 0.043 0.000 2.313 199 V HA 0.336 4.456 4.120 -0.000 0.000 0.278 199 V C 0.181 176.285 176.094 0.016 0.000 1.017 199 V CA -0.844 61.492 62.300 0.060 0.000 0.823 199 V CB 0.942 32.745 31.823 -0.033 0.000 1.010 199 V HN 0.783 nan 8.190 nan 0.000 0.443 200 L N 4.263 125.506 121.223 0.034 0.000 2.410 200 L HA 0.535 4.875 4.340 -0.000 0.000 0.273 200 L C 0.752 177.618 176.870 -0.006 0.000 1.144 200 L CA 0.217 55.053 54.840 -0.006 0.000 0.863 200 L CB 1.031 43.086 42.059 -0.007 0.000 1.140 200 L HN 0.788 nan 8.230 nan 0.000 0.463 201 A N 1.062 123.867 122.820 -0.026 0.000 3.106 201 A HA 0.222 4.542 4.320 -0.000 0.000 0.227 201 A C 0.712 178.281 177.584 -0.025 0.000 0.920 201 A CA -0.109 51.919 52.037 -0.015 0.000 1.088 201 A CB -0.094 18.896 19.000 -0.016 0.000 1.233 201 A HN 0.729 nan 8.150 nan 0.000 0.503 202 T N -3.112 111.422 114.554 -0.033 0.000 3.107 202 T HA 0.468 4.818 4.350 -0.000 0.000 0.249 202 T C 1.266 175.952 174.700 -0.025 0.000 1.096 202 T CA 0.987 63.064 62.100 -0.039 0.000 1.012 202 T CB -0.063 68.771 68.868 -0.057 0.000 0.977 202 T HN 2.104 nan 8.240 nan 0.000 0.527 203 G N 0.293 109.081 108.800 -0.021 0.000 2.642 203 G HA2 0.197 4.157 3.960 -0.000 0.000 0.231 203 G HA3 0.197 4.157 3.960 -0.000 0.000 0.231 203 G C 0.165 175.026 174.900 -0.065 0.000 1.338 203 G CA -0.474 44.614 45.100 -0.021 0.000 0.883 203 G HN 0.896 nan 8.290 nan 0.000 0.570 204 G N -2.098 106.654 108.800 -0.080 0.000 2.641 204 G HA2 0.755 4.715 3.960 -0.000 0.000 0.239 204 G HA3 0.755 4.715 3.960 -0.000 0.000 0.239 204 G C 0.573 175.472 174.900 -0.000 0.000 1.402 204 G CA 0.976 46.008 45.100 -0.112 0.000 1.046 204 G HN 2.208 nan 8.290 nan 0.000 0.565 205 A N -1.505 121.401 122.820 0.143 0.000 2.515 205 A HA 0.521 4.841 4.320 -0.000 0.000 0.253 205 A C 1.619 179.321 177.584 0.198 0.000 0.863 205 A CA 0.979 53.142 52.037 0.211 0.000 1.124 205 A CB -0.045 19.139 19.000 0.306 0.000 1.214 205 A HN 1.293 nan 8.150 nan 0.000 0.470 206 G N 0.506 109.385 108.800 0.132 0.000 2.499 206 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 206 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 206 G C 1.296 176.171 174.900 -0.041 0.000 1.109 206 G CA 0.670 45.770 45.100 -0.001 0.000 0.749 206 G HN 0.395 nan 8.290 nan 0.000 0.568 207 R N 0.543 121.019 120.500 -0.041 0.000 2.339 207 R HA 0.046 4.386 4.340 -0.000 0.000 0.199 207 R C 2.325 178.587 176.300 -0.065 0.000 1.018 207 R CA 0.435 56.509 56.100 -0.044 0.000 1.036 207 R CB -0.567 29.715 30.300 -0.030 0.000 0.899 207 R HN 0.774 nan 8.270 nan 0.000 0.473 208 I N -3.247 117.248 120.570 -0.126 0.000 3.001 208 I HA -0.050 4.120 4.170 -0.000 0.000 0.268 208 I C 0.070 175.943 176.117 -0.407 0.000 1.267 208 I CA 0.559 61.701 61.300 -0.264 0.000 1.472 208 I CB -0.189 37.592 38.000 -0.364 0.000 1.089 208 I HN -0.196 nan 8.210 nan 0.000 0.468 209 Y N 1.044 121.220 120.300 -0.206 0.000 2.432 209 Y HA 0.271 4.821 4.550 -0.000 0.000 0.322 209 Y C 1.588 177.453 175.900 -0.058 0.000 1.246 209 Y CA -0.329 57.694 58.100 -0.128 0.000 1.268 209 Y CB 0.962 39.330 38.460 -0.154 0.000 1.276 209 Y HN -0.116 nan 8.280 nan 0.000 0.499 210 Q N 0.308 120.198 119.800 0.151 0.000 2.119 210 Q HA -0.060 4.280 4.340 -0.000 0.000 0.201 210 Q C -0.040 176.017 176.000 0.095 0.000 0.972 210 Q CA 0.960 56.826 55.803 0.105 0.000 0.847 210 Q CB 0.251 29.067 28.738 0.129 0.000 0.903 210 Q HN 0.479 nan 8.270 nan 0.000 0.433 211 S N -0.602 115.173 115.700 0.126 0.000 2.594 211 S HA 0.502 4.972 4.470 -0.000 0.000 0.296 211 S C -1.137 173.492 174.600 0.048 0.000 1.124 211 S CA -0.528 57.717 58.200 0.074 0.000 1.011 211 S CB 1.869 65.120 63.200 0.086 0.000 1.016 211 S HN 0.183 nan 8.310 nan 0.000 0.485 212 T N 1.209 115.759 114.554 -0.006 0.000 2.853 212 T HA 0.445 4.795 4.350 -0.000 0.000 0.311 212 T C 1.053 175.732 174.700 -0.034 0.000 1.307 212 T CA 0.105 62.185 62.100 -0.034 0.000 1.019 212 T CB 1.352 70.184 68.868 -0.060 0.000 1.264 212 T HN 0.718 nan 8.240 nan 0.000 0.497 213 T N 0.423 114.990 114.554 0.021 0.000 3.113 213 T HA 0.192 4.542 4.350 -0.000 0.000 0.256 213 T C 0.622 175.347 174.700 0.043 0.000 1.131 213 T CA 0.183 62.321 62.100 0.064 0.000 1.074 213 T CB -0.582 68.426 68.868 0.234 0.000 0.944 213 T HN 0.562 nan 8.240 nan 0.000 0.516 214 N N 1.572 120.210 118.700 -0.104 0.000 2.525 214 N HA 0.492 5.232 4.740 -0.000 0.000 0.271 214 N C 0.188 175.522 175.510 -0.293 0.000 1.194 214 N CA -0.515 52.303 53.050 -0.386 0.000 0.964 214 N CB 0.822 39.087 38.487 -0.371 0.000 1.126 214 N HN 0.419 nan 8.380 nan 0.000 0.452 215 A N 1.396 124.031 122.820 -0.308 0.000 2.536 215 A HA -0.099 4.221 4.320 -0.000 0.000 0.234 215 A C 1.097 178.610 177.584 -0.119 0.000 1.076 215 A CA 0.120 52.110 52.037 -0.077 0.000 0.769 215 A CB 0.047 19.102 19.000 0.092 0.000 1.020 215 A HN 0.800 nan 8.150 nan 0.000 0.508 216 H N 1.126 120.197 119.070 0.001 0.000 2.489 216 H HA -0.163 4.393 4.556 -0.000 0.000 0.295 216 H C 1.726 177.056 175.328 0.004 0.000 1.082 216 H CA 2.190 58.239 56.048 0.002 0.000 1.295 216 H CB -0.133 29.640 29.762 0.018 0.000 1.380 216 H HN 0.761 nan 8.280 nan 0.000 0.548 217 I N -1.268 119.373 120.570 0.118 0.000 3.564 217 I HA 0.017 4.187 4.170 -0.000 0.000 0.294 217 I C -0.173 175.971 176.117 0.045 0.000 1.289 217 I CA 0.214 61.568 61.300 0.090 0.000 1.325 217 I CB -0.154 37.906 38.000 0.100 0.000 1.039 217 I HN -0.175 nan 8.210 nan 0.000 0.474 218 N N 2.626 121.320 118.700 -0.011 0.000 2.739 218 N HA 0.102 4.842 4.740 -0.000 0.000 0.266 218 N C 0.660 176.171 175.510 0.001 0.000 1.168 218 N CA 0.424 53.451 53.050 -0.039 0.000 1.055 218 N CB 0.399 38.801 38.487 -0.142 0.000 1.393 218 N HN 0.422 nan 8.380 nan 0.000 0.514 219 T N -2.906 111.666 114.554 0.030 0.000 3.145 219 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 219 T C 1.104 175.835 174.700 0.052 0.000 1.003 219 T CA -0.132 61.995 62.100 0.044 0.000 0.901 219 T CB 0.045 68.951 68.868 0.062 0.000 1.112 219 T HN 0.356 nan 8.240 nan 0.000 0.535 220 G N 2.192 111.019 108.800 0.045 0.000 2.249 220 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.273 220 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.273 220 G C 0.440 175.358 174.900 0.030 0.000 1.036 220 G CA 0.344 45.468 45.100 0.041 0.000 0.824 220 G HN 0.493 nan 8.290 nan 0.000 0.504 221 D N 0.166 120.579 120.400 0.022 0.000 2.133 221 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 221 D C 2.475 178.766 176.300 -0.015 0.000 0.997 221 D CA 1.842 55.847 54.000 0.008 0.000 0.840 221 D CB -0.715 40.055 40.800 -0.049 0.000 0.947 221 D HN 0.582 nan 8.370 nan 0.000 0.452 222 G N 0.390 109.173 108.800 -0.029 0.000 2.432 222 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 222 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 222 G C 1.835 176.728 174.900 -0.012 0.000 1.135 222 G CA 0.670 45.752 45.100 -0.029 0.000 0.767 222 G HN 0.247 nan 8.290 nan 0.000 0.550 223 V N 1.476 121.387 119.914 -0.004 0.000 2.307 223 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 223 V C 3.150 179.263 176.094 0.032 0.000 1.045 223 V CA 2.003 64.308 62.300 0.008 0.000 1.024 223 V CB -1.080 30.748 31.823 0.009 0.000 0.651 223 V HN 0.413 nan 8.190 nan 0.000 0.449 224 G N -0.773 108.051 108.800 0.040 0.000 2.440 224 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 224 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 224 G C 1.655 176.585 174.900 0.051 0.000 1.154 224 G CA 1.171 46.305 45.100 0.057 0.000 0.767 224 G HN 0.413 nan 8.290 nan 0.000 0.552 225 M N 0.589 120.209 119.600 0.033 0.000 2.159 225 M HA 0.023 4.503 4.480 -0.000 0.000 0.263 225 M C 3.019 179.334 176.300 0.025 0.000 1.063 225 M CA 1.319 56.634 55.300 0.026 0.000 1.110 225 M CB -0.139 32.463 32.600 0.003 0.000 1.374 225 M HN 0.338 nan 8.290 nan 0.000 0.411 226 A N 0.626 123.458 122.820 0.020 0.000 1.855 226 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 226 A C 2.028 179.632 177.584 0.034 0.000 1.191 226 A CA 1.358 53.405 52.037 0.017 0.000 0.613 226 A CB -0.870 18.135 19.000 0.008 0.000 0.829 226 A HN 0.417 nan 8.150 nan 0.000 0.442 227 I N -0.662 119.945 120.570 0.061 0.000 2.118 227 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 227 I C 2.737 178.894 176.117 0.067 0.000 1.070 227 I CA 1.725 63.083 61.300 0.097 0.000 1.327 227 I CB -0.324 37.772 38.000 0.160 0.000 1.034 227 I HN 0.289 nan 8.210 nan 0.000 0.405 228 R N 0.416 120.949 120.500 0.056 0.000 2.189 228 R HA -0.053 4.287 4.340 -0.000 0.000 0.223 228 R C 1.990 178.304 176.300 0.025 0.000 1.092 228 R CA 1.117 57.242 56.100 0.041 0.000 0.989 228 R CB -0.256 30.071 30.300 0.046 0.000 0.876 228 R HN 0.364 nan 8.270 nan 0.000 0.457 229 A N -0.054 122.778 122.820 0.021 0.000 2.251 229 A HA 0.244 4.564 4.320 -0.000 0.000 0.209 229 A C 1.305 178.887 177.584 -0.003 0.000 1.187 229 A CA 0.641 52.684 52.037 0.009 0.000 0.823 229 A CB 0.067 19.073 19.000 0.009 0.000 0.846 229 A HN 0.403 nan 8.150 nan 0.000 0.486 230 G N -1.402 107.396 108.800 -0.003 0.000 2.136 230 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 230 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 230 G C 0.087 174.970 174.900 -0.029 0.000 0.989 230 G CA 0.135 45.222 45.100 -0.022 0.000 0.682 230 G HN 0.779 nan 8.290 nan 0.000 0.522 231 V N 2.859 122.763 119.914 -0.017 0.000 2.432 231 V HA 0.462 4.582 4.120 -0.000 0.000 0.275 231 V C -0.976 175.111 176.094 -0.011 0.000 1.043 231 V CA -1.372 60.913 62.300 -0.025 0.000 0.925 231 V CB 1.468 33.276 31.823 -0.024 0.000 0.985 231 V HN 0.239 nan 8.190 nan 0.000 0.466 232 P HA 0.280 nan 4.420 nan 0.000 0.272 232 P C -0.773 176.542 177.300 0.024 0.000 1.240 232 P CA 0.004 63.100 63.100 -0.006 0.000 0.791 232 P CB 1.282 32.958 31.700 -0.040 0.000 0.978 233 V N -2.081 117.881 119.914 0.080 0.000 2.914 233 V HA 0.634 4.754 4.120 -0.000 0.000 0.314 233 V C -0.663 175.452 176.094 0.035 0.000 1.084 233 V CA -0.998 61.326 62.300 0.039 0.000 0.963 233 V CB 1.661 33.508 31.823 0.040 0.000 1.025 233 V HN 0.584 nan 8.190 nan 0.000 0.432 234 Q N 0.508 120.296 119.800 -0.021 0.000 2.377 234 Q HA 0.434 4.774 4.340 -0.000 0.000 0.271 234 Q C -0.710 175.279 176.000 -0.017 0.000 1.077 234 Q CA -0.346 55.448 55.803 -0.014 0.000 0.820 234 Q CB 1.661 30.346 28.738 -0.089 0.000 1.347 234 Q HN 0.967 nan 8.270 nan 0.000 0.444 235 D N 2.638 123.064 120.400 0.043 0.000 2.811 235 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 235 D C 0.687 176.954 176.300 -0.055 0.000 1.157 235 D CA 0.737 54.757 54.000 0.032 0.000 0.716 235 D CB -0.254 40.589 40.800 0.072 0.000 1.077 235 D HN 0.647 nan 8.370 nan 0.000 0.428 236 M N -0.240 119.325 119.600 -0.058 0.000 2.358 236 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 236 M C 2.119 178.406 176.300 -0.022 0.000 1.064 236 M CA 1.318 56.561 55.300 -0.096 0.000 1.093 236 M CB -0.543 32.013 32.600 -0.073 0.000 1.401 236 M HN 0.302 nan 8.290 nan 0.000 0.440 237 E N -0.393 119.807 120.200 0.001 0.000 2.418 237 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 237 E C 0.284 176.985 176.600 0.169 0.000 1.026 237 E CA 0.507 56.960 56.400 0.087 0.000 0.862 237 E CB -0.258 29.360 29.700 -0.137 0.000 0.799 237 E HN 0.311 nan 8.360 nan 0.000 0.518 238 M N 1.367 120.974 119.600 0.011 0.000 2.725 238 M HA 0.188 4.668 4.480 -0.000 0.000 0.322 238 M C -1.280 174.969 176.300 -0.085 0.000 1.393 238 M CA 0.002 55.322 55.300 0.032 0.000 1.452 238 M CB -1.202 31.402 32.600 0.006 0.000 1.242 238 M HN 0.064 nan 8.290 nan 0.000 0.487 239 W N 1.933 123.296 121.300 0.105 0.000 2.376 239 W HA 0.403 5.063 4.660 0.000 0.000 0.312 239 W C 0.538 177.038 176.519 -0.032 0.000 1.060 239 W CA -0.464 56.871 57.345 -0.017 0.000 1.221 239 W CB 0.932 30.336 29.460 -0.094 0.000 1.281 239 W HN 0.474 nan 8.180 nan 0.000 0.456 240 Q N 3.262 123.164 119.800 0.170 0.000 2.293 240 Q HA 0.238 4.578 4.340 -0.000 0.000 0.263 240 Q C -1.147 174.847 176.000 -0.010 0.000 1.002 240 Q CA -0.091 55.812 55.803 0.166 0.000 0.910 240 Q CB 0.425 29.295 28.738 0.221 0.000 1.185 240 Q HN 0.389 nan 8.270 nan 0.000 0.401 241 F N 3.791 123.804 119.950 0.104 0.000 2.371 241 F HA 0.169 4.696 4.527 -0.000 0.000 0.363 241 F C 0.672 176.502 175.800 0.050 0.000 1.122 241 F CA -0.702 57.330 58.000 0.053 0.000 1.129 241 F CB 0.623 39.594 39.000 -0.048 0.000 1.173 241 F HN 0.567 nan 8.300 nan 0.000 0.489 242 H N 5.967 125.075 119.070 0.063 0.000 2.848 242 H HA 0.064 4.620 4.556 -0.000 0.000 0.341 242 H C -1.741 173.562 175.328 -0.041 0.000 1.060 242 H CA -1.534 54.456 56.048 -0.096 0.000 1.444 242 H CB 1.690 31.210 29.762 -0.403 0.000 1.446 242 H HN 0.326 nan 8.280 nan 0.000 0.583 243 P HA -0.079 nan 4.420 nan 0.000 0.218 243 P C 0.428 177.806 177.300 0.130 0.000 1.149 243 P CA 1.466 64.581 63.100 0.025 0.000 0.817 243 P CB 0.176 31.822 31.700 -0.089 0.000 0.785 244 T N -3.194 111.540 114.554 0.300 0.000 3.427 244 T HA 0.589 4.939 4.350 -0.000 0.000 0.306 244 T C 0.514 175.200 174.700 -0.024 0.000 1.733 244 T CA -0.839 61.330 62.100 0.114 0.000 1.599 244 T CB -0.193 68.719 68.868 0.074 0.000 0.964 244 T HN -0.019 nan 8.240 nan 0.000 0.701 245 G N 1.440 110.230 108.800 -0.018 0.000 2.539 245 G HA2 0.554 4.514 3.960 -0.000 0.000 0.258 245 G HA3 0.554 4.514 3.960 -0.000 0.000 0.258 245 G C 0.001 174.876 174.900 -0.043 0.000 1.202 245 G CA -0.982 44.081 45.100 -0.061 0.000 0.851 245 G HN 0.754 nan 8.290 nan 0.000 0.556 246 I N 1.531 122.067 120.570 -0.056 0.000 2.533 246 I HA 0.174 4.344 4.170 -0.000 0.000 0.284 246 I C 1.251 177.356 176.117 -0.019 0.000 1.109 246 I CA -0.171 61.099 61.300 -0.050 0.000 1.412 246 I CB 0.940 38.928 38.000 -0.019 0.000 1.396 246 I HN 0.516 nan 8.210 nan 0.000 0.543 247 A N 5.178 127.972 122.820 -0.042 0.000 2.524 247 A HA 0.412 4.732 4.320 -0.000 0.000 0.250 247 A C 1.313 178.965 177.584 0.114 0.000 1.078 247 A CA 0.566 52.623 52.037 0.034 0.000 0.761 247 A CB -0.281 18.729 19.000 0.016 0.000 1.012 247 A HN 1.221 nan 8.150 nan 0.000 0.500 248 G N 0.807 109.678 108.800 0.119 0.000 2.199 248 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.254 248 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.254 248 G C 0.852 175.811 174.900 0.099 0.000 0.982 248 G CA 1.133 46.309 45.100 0.127 0.000 0.632 248 G HN 2.060 nan 8.290 nan 0.000 0.529 249 A N -1.683 121.178 122.820 0.069 0.000 2.048 249 A HA 0.660 4.980 4.320 -0.000 0.000 0.197 249 A C 2.639 180.189 177.584 -0.057 0.000 1.486 249 A CA 1.925 53.976 52.037 0.022 0.000 1.029 249 A CB -0.105 18.923 19.000 0.047 0.000 1.101 249 A HN 2.311 nan 8.150 nan 0.000 0.470 250 G N -0.876 107.899 108.800 -0.042 0.000 2.299 250 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.237 250 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.237 250 G C 0.405 175.247 174.900 -0.097 0.000 1.027 250 G CA 0.137 45.205 45.100 -0.054 0.000 0.619 250 G HN 1.012 nan 8.290 nan 0.000 0.513 251 V N 2.491 122.299 119.914 -0.177 0.000 2.617 251 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 251 V C 1.139 177.155 176.094 -0.130 0.000 1.040 251 V CA 0.402 62.577 62.300 -0.207 0.000 1.149 251 V CB 1.235 32.811 31.823 -0.412 0.000 0.914 251 V HN 0.642 nan 8.190 nan 0.000 0.487 252 L N 7.687 128.840 121.223 -0.117 0.000 2.416 252 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 252 L C -0.021 176.763 176.870 -0.143 0.000 1.161 252 L CA 0.444 55.174 54.840 -0.183 0.000 0.845 252 L CB 1.143 43.085 42.059 -0.194 0.000 1.119 252 L HN 0.578 nan 8.230 nan 0.000 0.464 253 V N 1.848 121.661 119.914 -0.169 0.000 2.459 253 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 253 V C 0.275 176.299 176.094 -0.116 0.000 1.029 253 V CA -0.484 61.755 62.300 -0.102 0.000 0.874 253 V CB 1.027 32.813 31.823 -0.061 0.000 0.985 253 V HN 0.897 nan 8.190 nan 0.000 0.438 254 T N 1.702 116.230 114.554 -0.043 0.000 2.932 254 T HA 0.074 4.424 4.350 -0.000 0.000 0.312 254 T C 1.025 175.727 174.700 0.003 0.000 1.071 254 T CA 0.869 62.980 62.100 0.018 0.000 1.128 254 T CB 0.746 69.687 68.868 0.121 0.000 0.984 254 T HN 1.101 nan 8.240 nan 0.000 0.549 255 E N 2.249 122.433 120.200 -0.027 0.000 2.331 255 E HA -0.067 4.283 4.350 -0.000 0.000 0.199 255 E C 1.991 178.312 176.600 -0.465 0.000 1.008 255 E CA 1.119 57.302 56.400 -0.362 0.000 0.843 255 E CB -0.686 28.528 29.700 -0.811 0.000 0.761 255 E HN 0.913 nan 8.360 nan 0.000 0.507 256 G N 0.090 108.806 108.800 -0.140 0.000 2.470 256 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 256 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 256 G C 1.538 176.463 174.900 0.042 0.000 1.121 256 G CA 0.803 45.978 45.100 0.125 0.000 0.766 256 G HN 0.388 nan 8.290 nan 0.000 0.553 257 C N 0.004 119.298 119.300 -0.010 0.000 2.432 257 C HA 0.017 4.477 4.460 -0.000 0.000 0.277 257 C C 2.958 177.931 174.990 -0.029 0.000 1.249 257 C CA 0.808 59.814 59.018 -0.020 0.000 1.725 257 C CB -0.778 26.940 27.740 -0.036 0.000 2.028 257 C HN 0.454 nan 8.230 nan 0.000 0.477 258 R N 0.644 121.104 120.500 -0.066 0.000 2.115 258 R HA 0.031 4.371 4.340 -0.000 0.000 0.226 258 R C 2.435 178.719 176.300 -0.027 0.000 1.100 258 R CA 1.297 57.368 56.100 -0.048 0.000 0.980 258 R CB -0.652 29.590 30.300 -0.097 0.000 0.875 258 R HN 0.607 nan 8.270 nan 0.000 0.445 259 G N 0.863 109.632 108.800 -0.052 0.000 2.422 259 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 259 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 259 G C 1.089 176.035 174.900 0.077 0.000 1.146 259 G CA 0.458 45.575 45.100 0.028 0.000 0.769 259 G HN 0.205 nan 8.290 nan 0.000 0.547 260 E N 0.204 120.449 120.200 0.075 0.000 2.502 260 E HA 0.155 4.505 4.350 -0.000 0.000 0.194 260 E C 1.792 178.427 176.600 0.057 0.000 1.062 260 E CA 0.645 57.093 56.400 0.080 0.000 0.867 260 E CB 0.248 29.990 29.700 0.070 0.000 0.888 260 E HN 0.500 nan 8.360 nan 0.000 0.510 261 G N 0.598 109.444 108.800 0.076 0.000 2.229 261 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.189 261 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.189 261 G C 0.669 175.730 174.900 0.269 0.000 1.000 261 G CA -0.264 44.929 45.100 0.154 0.000 0.663 261 G HN 0.469 nan 8.290 nan 0.000 0.493 262 G N 0.008 108.876 108.800 0.115 0.000 2.594 262 G HA2 0.670 4.630 3.960 -0.000 0.000 0.243 262 G HA3 0.670 4.630 3.960 -0.000 0.000 0.243 262 G C -0.232 174.754 174.900 0.145 0.000 1.229 262 G CA 0.483 45.633 45.100 0.084 0.000 0.843 262 G HN 1.507 nan 8.290 nan 0.000 0.578 263 Y N -1.865 118.462 120.300 0.046 0.000 2.670 263 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 263 Y C -1.001 174.843 175.900 -0.092 0.000 1.185 263 Y CA -1.731 56.335 58.100 -0.057 0.000 1.053 263 Y CB 1.073 39.483 38.460 -0.082 0.000 1.298 263 Y HN 0.426 nan 8.280 nan 0.000 0.459 264 L N 2.867 124.101 121.223 0.019 0.000 2.307 264 L HA 0.603 4.943 4.340 -0.000 0.000 0.282 264 L C -0.654 176.168 176.870 -0.080 0.000 1.051 264 L CA -0.595 54.175 54.840 -0.116 0.000 0.804 264 L CB 1.325 43.214 42.059 -0.283 0.000 1.197 264 L HN 0.539 nan 8.230 nan 0.000 0.431 265 L N 2.647 123.930 121.223 0.100 0.000 2.342 265 L HA 0.520 4.860 4.340 -0.000 0.000 0.271 265 L C -0.331 176.766 176.870 0.378 0.000 1.008 265 L CA -0.897 54.077 54.840 0.222 0.000 0.818 265 L CB 2.020 44.169 42.059 0.149 0.000 1.296 265 L HN 0.685 nan 8.230 nan 0.000 0.427 266 N N 1.060 120.001 118.700 0.401 0.000 2.566 266 N HA 0.164 4.904 4.740 -0.000 0.000 0.299 266 N C 0.411 175.942 175.510 0.035 0.000 1.277 266 N CA -0.822 52.336 53.050 0.181 0.000 0.965 266 N CB 0.311 38.852 38.487 0.089 0.000 1.142 266 N HN 0.569 nan 8.380 nan 0.000 0.596 267 K N -1.057 119.267 120.400 -0.126 0.000 2.360 267 K HA -0.127 4.193 4.320 -0.000 0.000 0.201 267 K C 0.169 176.635 176.600 -0.223 0.000 1.046 267 K CA 1.284 57.447 56.287 -0.206 0.000 0.945 267 K CB -0.516 31.797 32.500 -0.313 0.000 0.750 267 K HN 0.616 nan 8.250 nan 0.000 0.464 268 H N -0.295 118.808 119.070 0.054 0.000 2.529 268 H HA 0.204 4.760 4.556 -0.000 0.000 0.277 268 H C 0.807 176.176 175.328 0.068 0.000 1.004 268 H CA 0.184 56.264 56.048 0.053 0.000 1.167 268 H CB 0.909 30.698 29.762 0.046 0.000 1.445 268 H HN 0.538 nan 8.280 nan 0.000 0.554 269 G N 1.224 110.117 108.800 0.155 0.000 2.153 269 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 269 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 269 G C 0.117 175.114 174.900 0.162 0.000 0.994 269 G CA 0.319 45.506 45.100 0.144 0.000 0.698 269 G HN 0.554 nan 8.290 nan 0.000 0.521 270 E N 0.159 120.482 120.200 0.205 0.000 2.316 270 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 270 E C 0.790 177.517 176.600 0.211 0.000 1.029 270 E CA -0.776 55.741 56.400 0.195 0.000 0.871 270 E CB 0.290 30.124 29.700 0.223 0.000 1.022 270 E HN 0.330 nan 8.360 nan 0.000 0.418 271 R N 5.528 126.081 120.500 0.089 0.000 3.247 271 R HA 0.024 4.364 4.340 -0.000 0.000 0.212 271 R C 0.656 176.924 176.300 -0.052 0.000 1.604 271 R CA -0.116 55.967 56.100 -0.029 0.000 1.279 271 R CB -0.523 29.677 30.300 -0.166 0.000 1.277 271 R HN 0.542 nan 8.270 nan 0.000 0.669 272 F N 1.077 121.104 119.950 0.128 0.000 2.333 272 F HA -0.104 4.423 4.527 0.000 0.000 0.300 272 F C 1.304 177.258 175.800 0.257 0.000 1.083 272 F CA 0.301 58.412 58.000 0.185 0.000 1.395 272 F CB -0.245 38.919 39.000 0.274 0.000 1.056 272 F HN 0.245 nan 8.300 nan 0.000 0.529 273 M N 1.115 120.629 119.600 -0.143 0.000 2.460 273 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 273 M C 1.868 178.216 176.300 0.081 0.000 1.071 273 M CA 0.991 56.322 55.300 0.050 0.000 1.096 273 M CB -1.233 31.288 32.600 -0.131 0.000 1.408 273 M HN 0.415 nan 8.290 nan 0.000 0.463 274 E N -0.361 119.847 120.200 0.015 0.000 2.110 274 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 274 E C 2.187 178.807 176.600 0.033 0.000 0.988 274 E CA 0.923 57.325 56.400 0.005 0.000 0.804 274 E CB -0.107 29.571 29.700 -0.037 0.000 0.745 274 E HN 0.470 nan 8.360 nan 0.000 0.458 275 R N -0.197 120.331 120.500 0.046 0.000 2.062 275 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 275 R C 1.836 178.106 176.300 -0.049 0.000 1.128 275 R CA 1.140 57.214 56.100 -0.044 0.000 0.960 275 R CB -0.008 30.209 30.300 -0.138 0.000 0.855 275 R HN 0.183 nan 8.270 nan 0.000 0.432 276 Y N -1.053 119.317 120.300 0.116 0.000 2.457 276 Y HA 0.202 4.752 4.550 -0.000 0.000 0.292 276 Y C 0.504 176.469 175.900 0.108 0.000 1.125 276 Y CA 0.625 58.799 58.100 0.123 0.000 1.254 276 Y CB 0.591 39.152 38.460 0.169 0.000 1.012 276 Y HN 0.079 nan 8.280 nan 0.000 0.555 277 A N -0.604 122.357 122.820 0.234 0.000 3.007 277 A HA 0.422 4.742 4.320 -0.000 0.000 0.314 277 A C -2.270 175.383 177.584 0.114 0.000 1.153 277 A CA -1.071 51.075 52.037 0.182 0.000 0.780 277 A CB 0.374 19.486 19.000 0.188 0.000 1.258 277 A HN -0.053 nan 8.150 nan 0.000 0.460 278 P HA -0.138 nan 4.420 nan 0.000 0.218 278 P C 1.165 178.488 177.300 0.037 0.000 1.148 278 P CA 1.318 64.444 63.100 0.044 0.000 0.822 278 P CB 0.363 32.081 31.700 0.031 0.000 0.784 279 N N -0.594 118.141 118.700 0.059 0.000 2.176 279 N HA -0.016 4.724 4.740 -0.000 0.000 0.187 279 N C 1.697 177.240 175.510 0.055 0.000 1.043 279 N CA 1.547 54.627 53.050 0.050 0.000 0.851 279 N CB -0.992 37.530 38.487 0.059 0.000 1.018 279 N HN 0.015 nan 8.380 nan 0.000 0.436 280 A N 0.659 123.539 122.820 0.100 0.000 2.123 280 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 280 A C 0.905 178.501 177.584 0.020 0.000 1.152 280 A CA 0.463 52.546 52.037 0.077 0.000 0.728 280 A CB -0.048 19.036 19.000 0.141 0.000 0.814 280 A HN 0.315 nan 8.150 nan 0.000 0.464 281 K N -1.377 119.039 120.400 0.026 0.000 1.779 281 K HA -0.290 4.030 4.320 -0.000 0.000 0.128 281 K C 0.373 176.945 176.600 -0.046 0.000 1.288 281 K CA 1.913 58.195 56.287 -0.009 0.000 0.398 281 K CB -1.391 31.087 32.500 -0.037 0.000 0.609 281 K HN 0.369 nan 8.250 nan 0.000 0.874 282 D N 0.954 121.313 120.400 -0.069 0.000 2.371 282 D HA 0.021 4.661 4.640 -0.000 0.000 0.221 282 D C 0.986 177.216 176.300 -0.117 0.000 0.986 282 D CA 0.794 54.738 54.000 -0.093 0.000 0.899 282 D CB 0.010 40.775 40.800 -0.058 0.000 0.902 282 D HN 0.199 nan 8.370 nan 0.000 0.530 283 L N 0.167 121.327 121.223 -0.105 0.000 2.872 283 L HA 0.386 4.726 4.340 -0.000 0.000 0.245 283 L C 0.876 177.629 176.870 -0.195 0.000 1.211 283 L CA -0.609 54.150 54.840 -0.135 0.000 1.013 283 L CB 0.033 42.047 42.059 -0.074 0.000 1.326 283 L HN -0.019 nan 8.230 nan 0.000 0.525 284 A N 0.100 122.774 122.820 -0.243 0.000 2.325 284 A HA 0.482 4.802 4.320 -0.000 0.000 0.260 284 A C 0.936 178.097 177.584 -0.705 0.000 1.133 284 A CA 0.289 52.011 52.037 -0.525 0.000 0.801 284 A CB -0.129 18.685 19.000 -0.310 0.000 1.092 284 A HN 0.280 nan 8.150 nan 0.000 0.504 285 G N -1.097 106.938 108.800 -1.275 0.000 2.414 285 G HA2 0.261 4.221 3.960 -0.000 0.000 0.236 285 G HA3 0.261 4.221 3.960 -0.000 0.000 0.236 285 G C 0.738 175.441 174.900 -0.328 0.000 1.293 285 G CA -0.158 44.553 45.100 -0.649 0.000 0.869 285 G HN 0.774 nan 8.290 nan 0.000 0.556 286 R N 0.607 120.971 120.500 -0.227 0.000 2.096 286 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 286 R C 2.284 178.516 176.300 -0.113 0.000 1.127 286 R CA 1.676 57.658 56.100 -0.196 0.000 0.968 286 R CB -0.067 30.110 30.300 -0.206 0.000 0.861 286 R HN 0.816 nan 8.270 nan 0.000 0.440 287 D N 0.438 120.803 120.400 -0.058 0.000 2.117 287 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 287 D C 1.840 178.111 176.300 -0.048 0.000 0.987 287 D CA 1.112 55.099 54.000 -0.021 0.000 0.829 287 D CB -0.526 40.292 40.800 0.029 0.000 0.961 287 D HN 0.083 nan 8.370 nan 0.000 0.460 288 V N 1.120 121.017 119.914 -0.029 0.000 2.261 288 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 288 V C 3.018 179.076 176.094 -0.059 0.000 1.047 288 V CA 1.396 63.695 62.300 -0.003 0.000 1.015 288 V CB -0.513 31.361 31.823 0.084 0.000 0.642 288 V HN 0.098 nan 8.190 nan 0.000 0.446 289 V N 0.487 120.344 119.914 -0.095 0.000 2.287 289 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 289 V C 2.751 178.803 176.094 -0.071 0.000 1.053 289 V CA 2.217 64.466 62.300 -0.085 0.000 1.027 289 V CB -1.319 30.431 31.823 -0.122 0.000 0.646 289 V HN 0.563 nan 8.190 nan 0.000 0.447 290 A N -0.228 122.539 122.820 -0.088 0.000 1.883 290 A HA -0.257 4.062 4.320 -0.000 0.000 0.217 290 A C 2.396 179.892 177.584 -0.146 0.000 1.186 290 A CA 2.066 54.051 52.037 -0.087 0.000 0.624 290 A CB -0.566 18.395 19.000 -0.063 0.000 0.822 290 A HN 0.495 nan 8.150 nan 0.000 0.444 291 R N -0.255 120.128 120.500 -0.195 0.000 2.081 291 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 291 R C 2.547 178.783 176.300 -0.106 0.000 1.131 291 R CA 1.572 57.541 56.100 -0.219 0.000 0.960 291 R CB -0.366 29.827 30.300 -0.178 0.000 0.856 291 R HN 0.568 nan 8.270 nan 0.000 0.436 292 S N 1.026 116.582 115.700 -0.240 0.000 2.368 292 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 292 S C 1.979 176.330 174.600 -0.415 0.000 1.030 292 S CA 1.133 58.964 58.200 -0.615 0.000 0.999 292 S CB -0.202 62.554 63.200 -0.739 0.000 0.844 292 S HN 0.229 nan 8.310 nan 0.000 0.459 293 I N 1.360 121.836 120.570 -0.157 0.000 2.226 293 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 293 I C 2.290 178.318 176.117 -0.148 0.000 1.100 293 I CA 0.994 62.210 61.300 -0.140 0.000 1.374 293 I CB -0.308 37.714 38.000 0.036 0.000 1.057 293 I HN 0.270 nan 8.210 nan 0.000 0.413 294 M N -0.084 119.481 119.600 -0.059 0.000 2.229 294 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 294 M C 2.369 178.713 176.300 0.073 0.000 1.063 294 M CA 1.712 57.034 55.300 0.036 0.000 1.114 294 M CB -0.930 31.737 32.600 0.111 0.000 1.387 294 M HN 0.235 nan 8.290 nan 0.000 0.420 295 I N -0.131 120.472 120.570 0.055 0.000 2.202 295 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 295 I C 2.419 178.514 176.117 -0.037 0.000 1.091 295 I CA 0.929 62.251 61.300 0.036 0.000 1.368 295 I CB -0.408 37.647 38.000 0.092 0.000 1.058 295 I HN 0.230 nan 8.210 nan 0.000 0.410 296 E N 1.008 121.113 120.200 -0.160 0.000 2.070 296 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 296 E C 2.261 178.770 176.600 -0.152 0.000 1.004 296 E CA 1.525 57.790 56.400 -0.225 0.000 0.805 296 E CB -0.368 28.982 29.700 -0.584 0.000 0.744 296 E HN 0.528 nan 8.360 nan 0.000 0.451 297 I N 0.492 120.982 120.570 -0.134 0.000 2.179 297 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 297 I C 2.794 178.877 176.117 -0.056 0.000 1.088 297 I CA 1.011 62.258 61.300 -0.087 0.000 1.357 297 I CB -0.264 37.701 38.000 -0.057 0.000 1.051 297 I HN 0.014 nan 8.210 nan 0.000 0.409 298 R N 1.044 121.522 120.500 -0.036 0.000 2.127 298 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 298 R C 1.104 177.375 176.300 -0.048 0.000 1.134 298 R CA 1.398 57.476 56.100 -0.036 0.000 0.975 298 R CB -0.013 30.266 30.300 -0.035 0.000 0.865 298 R HN 0.440 nan 8.270 nan 0.000 0.447 299 E N -1.144 119.030 120.200 -0.043 0.000 2.370 299 E HA 0.120 4.470 4.350 -0.000 0.000 0.194 299 E C 0.295 176.879 176.600 -0.026 0.000 1.057 299 E CA 0.281 56.661 56.400 -0.034 0.000 1.011 299 E CB 0.860 30.549 29.700 -0.019 0.000 1.132 299 E HN 0.566 nan 8.360 nan 0.000 0.450 300 G N 2.160 110.938 108.800 -0.037 0.000 2.155 300 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.257 300 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.257 300 G C 0.854 175.725 174.900 -0.049 0.000 0.983 300 G CA 0.248 45.327 45.100 -0.035 0.000 0.676 300 G HN 0.321 nan 8.290 nan 0.000 0.528 301 R N 0.155 120.614 120.500 -0.068 0.000 2.432 301 R HA 0.319 4.659 4.340 -0.000 0.000 0.260 301 R C 1.552 177.748 176.300 -0.172 0.000 0.935 301 R CA 0.285 56.317 56.100 -0.112 0.000 1.080 301 R CB 0.618 30.900 30.300 -0.030 0.000 1.155 301 R HN 0.356 nan 8.270 nan 0.000 0.531 302 G N 0.304 109.010 108.800 -0.157 0.000 2.537 302 G HA2 0.277 4.237 3.960 -0.000 0.000 0.273 302 G HA3 0.277 4.237 3.960 -0.000 0.000 0.273 302 G C -0.051 174.719 174.900 -0.217 0.000 1.189 302 G CA -0.505 44.486 45.100 -0.182 0.000 0.881 302 G HN 0.131 nan 8.290 nan 0.000 0.535 303 C N -0.082 119.008 119.300 -0.350 0.000 2.362 303 C HA 0.682 5.141 4.460 -0.000 0.000 0.363 303 C C 0.251 175.034 174.990 -0.345 0.000 1.220 303 C CA -0.593 58.187 59.018 -0.397 0.000 2.379 303 C CB 1.382 28.772 27.740 -0.584 0.000 2.351 303 C HN 0.770 nan 8.230 nan 0.000 0.582 304 D N -1.592 118.772 120.400 -0.060 0.000 2.614 304 D HA 0.719 5.359 4.640 -0.000 0.000 0.264 304 D C -0.044 176.476 176.300 0.367 0.000 1.092 304 D CA 0.460 54.554 54.000 0.157 0.000 1.071 304 D CB 2.451 43.299 40.800 0.080 0.000 1.443 304 D HN 0.926 nan 8.370 nan 0.000 0.528 305 G N -0.210 108.769 108.800 0.299 0.000 2.344 305 G HA2 0.112 4.072 3.960 -0.000 0.000 0.282 305 G HA3 0.112 4.072 3.960 -0.000 0.000 0.282 305 G C -2.343 172.496 174.900 -0.102 0.000 1.281 305 G CA -0.432 44.734 45.100 0.111 0.000 0.877 305 G HN 0.320 nan 8.290 nan 0.000 0.494 306 P HA -0.035 nan 4.420 nan 0.000 0.218 306 P C 1.273 178.357 177.300 -0.360 0.000 1.146 306 P CA 1.468 64.260 63.100 -0.514 0.000 0.813 306 P CB 0.036 31.230 31.700 -0.842 0.000 0.778 307 W N -0.270 121.019 121.300 -0.018 0.000 2.678 307 W HA 0.310 4.970 4.660 0.000 0.000 0.256 307 W C 1.077 177.610 176.519 0.024 0.000 1.280 307 W CA 1.073 58.392 57.345 -0.044 0.000 1.345 307 W CB -0.980 28.371 29.460 -0.181 0.000 1.118 307 W HN 0.034 nan 8.180 nan 0.000 0.629 308 G N 0.221 109.190 108.800 0.283 0.000 2.655 308 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.680 308 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.680 308 G C -3.042 172.073 174.900 0.357 0.000 1.302 308 G CA -1.386 43.855 45.100 0.235 0.000 0.872 308 G HN -0.276 nan 8.290 nan 0.000 0.540 309 P HA 0.348 nan 4.420 nan 0.000 0.268 309 P C -0.111 177.314 177.300 0.209 0.000 1.205 309 P CA 0.603 63.788 63.100 0.143 0.000 0.771 309 P CB 0.570 32.304 31.700 0.058 0.000 0.858 310 H N -0.126 118.971 119.070 0.045 0.000 2.950 310 H HA 0.690 5.246 4.556 -0.000 0.000 0.307 310 H C -1.796 173.540 175.328 0.013 0.000 1.403 310 H CA -1.172 54.890 56.048 0.024 0.000 1.145 310 H CB 0.393 30.163 29.762 0.012 0.000 1.844 310 H HN 0.442 nan 8.280 nan 0.000 0.515 311 A N 1.148 124.043 122.820 0.125 0.000 2.269 311 A HA 0.579 4.899 4.320 -0.000 0.000 0.327 311 A C -0.414 177.289 177.584 0.198 0.000 1.112 311 A CA -0.944 51.169 52.037 0.127 0.000 0.865 311 A CB 1.033 20.175 19.000 0.237 0.000 1.227 311 A HN 0.489 nan 8.150 nan 0.000 0.498 312 K N 0.680 121.169 120.400 0.148 0.000 2.213 312 K HA 0.411 4.731 4.320 -0.000 0.000 0.270 312 K C -1.504 175.103 176.600 0.011 0.000 1.002 312 K CA -0.497 55.834 56.287 0.074 0.000 0.868 312 K CB 1.611 34.140 32.500 0.049 0.000 1.093 312 K HN 0.474 nan 8.250 nan 0.000 0.454 313 L N 3.342 124.536 121.223 -0.048 0.000 2.264 313 L HA 0.272 4.612 4.340 -0.000 0.000 0.287 313 L C -0.136 176.652 176.870 -0.136 0.000 1.039 313 L CA -0.054 54.733 54.840 -0.089 0.000 0.829 313 L CB 0.516 42.531 42.059 -0.074 0.000 1.211 313 L HN 0.441 nan 8.230 nan 0.000 0.427 314 K N 4.983 125.246 120.400 -0.228 0.000 2.227 314 K HA 0.423 4.743 4.320 -0.000 0.000 0.280 314 K C -0.141 176.352 176.600 -0.180 0.000 1.041 314 K CA -0.360 55.781 56.287 -0.244 0.000 0.905 314 K CB 0.764 33.020 32.500 -0.406 0.000 1.068 314 K HN 0.850 nan 8.250 nan 0.000 0.470 315 L N 3.128 124.297 121.223 -0.090 0.000 3.076 315 L HA 0.079 4.419 4.340 -0.000 0.000 0.271 315 L C 1.065 177.836 176.870 -0.166 0.000 1.152 315 L CA 0.070 54.827 54.840 -0.139 0.000 0.996 315 L CB 0.322 42.312 42.059 -0.115 0.000 1.453 315 L HN 0.754 nan 8.230 nan 0.000 0.571 316 D N -0.565 119.818 120.400 -0.028 0.000 2.218 316 D HA -0.283 4.357 4.640 -0.000 0.000 0.204 316 D C 1.927 178.228 176.300 0.002 0.000 0.976 316 D CA 1.397 55.390 54.000 -0.012 0.000 0.853 316 D CB -0.348 40.465 40.800 0.022 0.000 0.939 316 D HN 0.486 nan 8.370 nan 0.000 0.481 317 H N 0.812 119.869 119.070 -0.020 0.000 2.560 317 H HA 0.001 4.557 4.556 -0.000 0.000 0.283 317 H C 1.706 177.044 175.328 0.018 0.000 1.028 317 H CA 0.553 56.609 56.048 0.013 0.000 1.221 317 H CB -0.477 29.314 29.762 0.048 0.000 1.363 317 H HN 0.304 nan 8.280 nan 0.000 0.594 318 L N 0.300 121.284 121.223 -0.398 0.000 2.341 318 L HA 0.180 4.520 4.340 -0.000 0.000 0.214 318 L C 1.052 177.859 176.870 -0.105 0.000 1.115 318 L CA 0.502 55.188 54.840 -0.257 0.000 0.820 318 L CB -0.276 41.620 42.059 -0.272 0.000 0.944 318 L HN 0.549 nan 8.230 nan 0.000 0.452 319 G N 0.508 109.261 108.800 -0.078 0.000 2.705 319 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.686 319 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.686 319 G C 0.263 175.139 174.900 -0.040 0.000 1.285 319 G CA 0.001 45.078 45.100 -0.038 0.000 0.800 319 G HN 0.093 nan 8.290 nan 0.000 0.611 320 K N 0.052 120.437 120.400 -0.026 0.000 2.063 320 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 320 K C 2.261 178.844 176.600 -0.027 0.000 1.048 320 K CA 2.185 58.457 56.287 -0.025 0.000 0.928 320 K CB -0.128 32.361 32.500 -0.017 0.000 0.713 320 K HN 0.669 nan 8.250 nan 0.000 0.442 321 E N -0.023 120.163 120.200 -0.025 0.000 2.047 321 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 321 E C 1.864 178.444 176.600 -0.033 0.000 0.987 321 E CA 1.262 57.647 56.400 -0.026 0.000 0.799 321 E CB 0.146 29.834 29.700 -0.020 0.000 0.752 321 E HN 0.104 nan 8.360 nan 0.000 0.449 322 V N 1.281 121.174 119.914 -0.035 0.000 2.358 322 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 322 V C 2.446 178.516 176.094 -0.040 0.000 1.047 322 V CA 1.421 63.698 62.300 -0.039 0.000 1.035 322 V CB -0.425 31.377 31.823 -0.036 0.000 0.658 322 V HN 0.321 nan 8.190 nan 0.000 0.452 323 L N -0.357 120.840 121.223 -0.043 0.000 2.046 323 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 323 L C 2.537 179.388 176.870 -0.031 0.000 1.077 323 L CA 1.731 56.548 54.840 -0.039 0.000 0.747 323 L CB -0.583 41.449 42.059 -0.045 0.000 0.896 323 L HN 0.352 nan 8.230 nan 0.000 0.432 324 E N -0.945 119.236 120.200 -0.032 0.000 2.274 324 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 324 E C 2.253 178.832 176.600 -0.035 0.000 0.996 324 E CA 1.160 57.542 56.400 -0.030 0.000 0.840 324 E CB 0.083 29.767 29.700 -0.028 0.000 0.772 324 E HN 0.366 nan 8.360 nan 0.000 0.491 325 S N 0.093 115.767 115.700 -0.043 0.000 2.427 325 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 325 S C 1.846 176.406 174.600 -0.067 0.000 1.047 325 S CA 0.186 58.351 58.200 -0.059 0.000 0.953 325 S CB 0.272 63.428 63.200 -0.073 0.000 0.824 325 S HN 0.034 nan 8.310 nan 0.000 0.502 326 R N 0.476 120.943 120.500 -0.055 0.000 2.206 326 R HA 0.404 4.744 4.340 -0.000 0.000 0.198 326 R C 0.477 176.786 176.300 0.015 0.000 0.986 326 R CA 0.427 56.507 56.100 -0.034 0.000 1.029 326 R CB -0.437 29.857 30.300 -0.009 0.000 0.966 326 R HN 0.412 nan 8.270 nan 0.000 0.487 327 L N 1.831 123.056 121.223 0.004 0.000 3.059 327 L HA 0.267 4.607 4.340 -0.000 0.000 0.298 327 L C -1.753 175.117 176.870 0.001 0.000 1.304 327 L CA -0.999 53.850 54.840 0.014 0.000 0.855 327 L CB 1.514 43.579 42.059 0.009 0.000 1.266 327 L HN -0.124 nan 8.230 nan 0.000 0.572 328 P HA -0.094 nan 4.420 nan 0.000 0.216 328 P C 1.667 178.963 177.300 -0.007 0.000 1.153 328 P CA 1.352 64.445 63.100 -0.013 0.000 0.844 328 P CB 0.339 32.026 31.700 -0.022 0.000 0.787 329 G N 1.295 110.094 108.800 -0.002 0.000 2.442 329 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 329 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 329 G C 1.485 176.398 174.900 0.022 0.000 1.141 329 G CA 1.191 46.294 45.100 0.006 0.000 0.763 329 G HN 0.403 nan 8.290 nan 0.000 0.554 330 I N -1.279 119.302 120.570 0.019 0.000 2.761 330 I HA 0.141 4.311 4.170 -0.000 0.000 0.261 330 I C 2.306 178.433 176.117 0.017 0.000 1.198 330 I CA 0.673 61.984 61.300 0.020 0.000 1.482 330 I CB -0.268 37.736 38.000 0.007 0.000 1.100 330 I HN 0.065 nan 8.210 nan 0.000 0.445 331 L N 0.641 121.867 121.223 0.006 0.000 1.994 331 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 331 L C 2.688 179.564 176.870 0.009 0.000 1.071 331 L CA 1.789 56.629 54.840 0.000 0.000 0.745 331 L CB -0.737 41.316 42.059 -0.010 0.000 0.892 331 L HN 0.288 nan 8.230 nan 0.000 0.431 332 E N 0.241 120.449 120.200 0.012 0.000 2.038 332 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 332 E C 2.299 178.932 176.600 0.055 0.000 1.000 332 E CA 1.343 57.753 56.400 0.017 0.000 0.803 332 E CB -0.187 29.523 29.700 0.017 0.000 0.750 332 E HN 0.394 nan 8.360 nan 0.000 0.448 333 L N 0.298 121.585 121.223 0.107 0.000 2.056 333 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 333 L C 2.653 179.665 176.870 0.237 0.000 1.078 333 L CA 0.936 55.922 54.840 0.243 0.000 0.749 333 L CB -0.410 41.771 42.059 0.203 0.000 0.901 333 L HN 0.128 nan 8.230 nan 0.000 0.433 334 S N -0.002 115.770 115.700 0.119 0.000 2.368 334 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 334 S C 2.160 176.819 174.600 0.098 0.000 1.030 334 S CA 1.248 59.501 58.200 0.088 0.000 0.999 334 S CB -0.056 63.157 63.200 0.022 0.000 0.844 334 S HN 0.312 nan 8.310 nan 0.000 0.459 335 R N -0.152 120.382 120.500 0.056 0.000 2.092 335 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 335 R C 2.468 178.779 176.300 0.018 0.000 1.119 335 R CA 1.894 58.010 56.100 0.028 0.000 0.970 335 R CB -0.680 29.608 30.300 -0.019 0.000 0.864 335 R HN 0.384 nan 8.270 nan 0.000 0.440 336 T N -0.078 114.446 114.554 -0.050 0.000 2.851 336 T HA -0.002 4.348 4.350 -0.000 0.000 0.262 336 T C 1.085 175.604 174.700 -0.300 0.000 1.043 336 T CA 1.085 63.029 62.100 -0.259 0.000 1.140 336 T CB -0.038 68.523 68.868 -0.512 0.000 0.872 336 T HN 0.075 nan 8.240 nan 0.000 0.446 337 F N 0.355 120.392 119.950 0.145 0.000 2.717 337 F HA 0.521 5.048 4.527 -0.000 0.000 0.295 337 F C 2.072 177.952 175.800 0.133 0.000 1.117 337 F CA -0.239 57.833 58.000 0.119 0.000 1.361 337 F CB 0.087 39.130 39.000 0.072 0.000 1.112 337 F HN 0.118 nan 8.300 nan 0.000 0.594 338 A N -2.115 120.891 122.820 0.310 0.000 2.419 338 A HA 0.253 4.573 4.320 -0.000 0.000 0.233 338 A C 0.094 177.958 177.584 0.467 0.000 1.217 338 A CA 0.004 52.239 52.037 0.329 0.000 0.944 338 A CB -0.551 18.504 19.000 0.091 0.000 1.025 338 A HN 0.324 nan 8.150 nan 0.000 0.524 339 H N -1.404 117.772 119.070 0.176 0.000 2.791 339 H HA -0.132 4.424 4.556 -0.000 0.000 0.302 339 H C -0.607 174.815 175.328 0.157 0.000 1.198 339 H CA 0.600 56.728 56.048 0.134 0.000 1.145 339 H CB -2.335 27.501 29.762 0.125 0.000 1.385 339 H HN 0.223 nan 8.280 nan 0.000 0.409 340 V N 0.538 120.580 119.914 0.213 0.000 2.531 340 V HA 0.217 4.337 4.120 -0.000 0.000 0.301 340 V C 0.230 176.353 176.094 0.048 0.000 1.034 340 V CA -0.947 61.425 62.300 0.120 0.000 0.865 340 V CB 2.312 34.153 31.823 0.030 0.000 0.995 340 V HN 0.256 nan 8.190 nan 0.000 0.424 341 D N 6.554 126.974 120.400 0.033 0.000 2.411 341 D HA 0.349 4.989 4.640 -0.000 0.000 0.225 341 D C -1.710 174.587 176.300 -0.006 0.000 1.156 341 D CA -2.142 51.863 54.000 0.008 0.000 0.874 341 D CB 2.046 42.850 40.800 0.007 0.000 1.034 341 D HN 0.185 nan 8.370 nan 0.000 0.502 342 P HA -0.110 nan 4.420 nan 0.000 0.225 342 P C 1.373 178.654 177.300 -0.032 0.000 1.148 342 P CA 0.369 63.449 63.100 -0.034 0.000 0.779 342 P CB 0.394 32.070 31.700 -0.039 0.000 0.780 343 V N -0.188 119.713 119.914 -0.023 0.000 2.759 343 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 343 V C 1.917 178.005 176.094 -0.010 0.000 1.080 343 V CA 1.652 63.940 62.300 -0.021 0.000 1.101 343 V CB -0.735 31.078 31.823 -0.017 0.000 0.698 343 V HN 0.212 nan 8.190 nan 0.000 0.477 344 K N -0.693 119.705 120.400 -0.004 0.000 2.435 344 K HA 0.329 4.649 4.320 -0.000 0.000 0.199 344 K C 0.554 177.160 176.600 0.010 0.000 1.153 344 K CA 0.094 56.386 56.287 0.008 0.000 0.974 344 K CB 1.574 34.083 32.500 0.014 0.000 0.997 344 K HN 0.462 nan 8.250 nan 0.000 0.547 345 E N 1.306 121.505 120.200 -0.001 0.000 2.366 345 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 345 E C -2.936 173.640 176.600 -0.040 0.000 0.923 345 E CA -2.261 54.137 56.400 -0.004 0.000 0.761 345 E CB 2.777 32.489 29.700 0.020 0.000 1.231 345 E HN -0.245 nan 8.360 nan 0.000 0.443 346 P HA 0.192 nan 4.420 nan 0.000 0.275 346 P C -0.634 176.571 177.300 -0.157 0.000 1.228 346 P CA 0.018 63.062 63.100 -0.093 0.000 0.786 346 P CB 0.457 32.113 31.700 -0.073 0.000 0.927 347 I N 4.546 125.018 120.570 -0.163 0.000 2.416 347 I HA 0.180 4.350 4.170 -0.000 0.000 0.288 347 I C -1.829 174.104 176.117 -0.308 0.000 1.051 347 I CA -2.246 58.915 61.300 -0.233 0.000 1.375 347 I CB 0.653 38.562 38.000 -0.152 0.000 1.407 347 I HN 0.151 nan 8.210 nan 0.000 0.516 348 P HA 0.121 nan 4.420 nan 0.000 0.276 348 P C -0.713 176.375 177.300 -0.352 0.000 1.253 348 P CA 0.013 62.689 63.100 -0.708 0.000 0.766 348 P CB 0.955 31.633 31.700 -1.703 0.000 0.845 349 V N 2.545 122.402 119.914 -0.095 0.000 2.962 349 V HA 0.748 4.868 4.120 -0.000 0.000 0.313 349 V C -0.548 175.584 176.094 0.064 0.000 1.099 349 V CA -1.189 61.097 62.300 -0.023 0.000 0.971 349 V CB 2.580 34.396 31.823 -0.012 0.000 1.028 349 V HN 0.495 nan 8.190 nan 0.000 0.430 350 I N 1.854 122.457 120.570 0.055 0.000 2.827 350 I HA 0.640 4.809 4.170 -0.000 0.000 0.298 350 I C -2.861 173.299 176.117 0.071 0.000 1.235 350 I CA -2.430 58.913 61.300 0.072 0.000 1.021 350 I CB 3.368 41.418 38.000 0.083 0.000 1.259 350 I HN 0.545 nan 8.210 nan 0.000 0.427 351 P HA 0.178 nan 4.420 nan 0.000 0.268 351 P C -1.502 175.894 177.300 0.161 0.000 1.204 351 P CA 0.189 63.350 63.100 0.103 0.000 0.768 351 P CB 0.549 32.274 31.700 0.041 0.000 0.842 352 T N 2.110 116.791 114.554 0.212 0.000 2.971 352 T HA 0.174 4.524 4.350 -0.000 0.000 0.304 352 T C -0.600 174.173 174.700 0.121 0.000 1.038 352 T CA -0.354 61.854 62.100 0.181 0.000 1.007 352 T CB 0.831 69.745 68.868 0.076 0.000 1.055 352 T HN 0.435 nan 8.240 nan 0.000 0.451 353 C N 3.493 122.746 119.300 -0.078 0.000 2.465 353 C HA 0.170 4.630 4.460 -0.000 0.000 0.402 353 C C 1.388 176.295 174.990 -0.139 0.000 1.448 353 C CA 1.077 59.734 59.018 -0.601 0.000 1.589 353 C CB -1.102 26.095 27.740 -0.904 0.000 2.535 353 C HN 1.155 nan 8.230 nan 0.000 0.600 354 H N 2.027 121.003 119.070 -0.158 0.000 2.276 354 H HA 0.272 4.828 4.556 -0.000 0.000 0.199 354 H C -0.938 174.516 175.328 0.209 0.000 0.867 354 H CA 0.550 56.640 56.048 0.070 0.000 0.948 354 H CB 0.199 30.053 29.762 0.153 0.000 1.251 354 H HN 0.740 nan 8.280 nan 0.000 0.388 355 Y N 0.930 121.220 120.300 -0.015 0.000 2.513 355 Y HA 0.388 4.938 4.550 -0.000 0.000 0.340 355 Y C -1.424 174.358 175.900 -0.196 0.000 1.055 355 Y CA -1.175 56.843 58.100 -0.137 0.000 1.020 355 Y CB 1.688 40.047 38.460 -0.168 0.000 1.301 355 Y HN 0.133 nan 8.280 nan 0.000 0.453 356 M N 7.295 126.220 119.600 -1.125 0.000 2.111 356 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 356 M C -0.279 175.440 176.300 -0.968 0.000 1.214 356 M CA -0.290 54.203 55.300 -1.346 0.000 1.120 356 M CB 0.788 32.646 32.600 -1.237 0.000 1.443 356 M HN 1.057 nan 8.290 nan 0.000 0.429 357 M N 2.672 121.986 119.600 -0.477 0.000 2.229 357 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 357 M C 1.262 177.465 176.300 -0.162 0.000 1.063 357 M CA 1.024 56.283 55.300 -0.068 0.000 1.114 357 M CB -0.281 32.355 32.600 0.060 0.000 1.387 357 M HN 0.722 nan 8.290 nan 0.000 0.420 358 G N -1.124 107.477 108.800 -0.333 0.000 2.588 358 G HA2 0.522 4.482 3.960 -0.000 0.000 0.278 358 G HA3 0.522 4.482 3.960 -0.000 0.000 0.278 358 G C 0.147 174.906 174.900 -0.236 0.000 1.307 358 G CA -0.102 44.853 45.100 -0.242 0.000 1.016 358 G HN 0.589 nan 8.290 nan 0.000 0.503 359 G N -1.733 106.969 108.800 -0.163 0.000 2.356 359 G HA2 0.226 4.186 3.960 -0.000 0.000 0.266 359 G HA3 0.226 4.186 3.960 -0.000 0.000 0.266 359 G C -0.967 173.873 174.900 -0.099 0.000 1.312 359 G CA -0.740 44.279 45.100 -0.135 0.000 0.922 359 G HN 0.742 nan 8.290 nan 0.000 0.480 360 I N 3.392 123.908 120.570 -0.090 0.000 2.452 360 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 360 I C -1.708 174.342 176.117 -0.113 0.000 1.079 360 I CA -1.553 59.698 61.300 -0.082 0.000 1.387 360 I CB 1.402 39.363 38.000 -0.066 0.000 1.404 360 I HN 0.161 nan 8.210 nan 0.000 0.522 361 P HA 0.063 nan 4.420 nan 0.000 0.267 361 P C -0.485 176.722 177.300 -0.155 0.000 1.205 361 P CA 0.020 63.024 63.100 -0.159 0.000 0.765 361 P CB 0.615 32.225 31.700 -0.150 0.000 0.828 362 T N 0.090 114.535 114.554 -0.180 0.000 2.901 362 T HA 0.537 4.887 4.350 -0.000 0.000 0.293 362 T C -0.162 174.429 174.700 -0.183 0.000 1.084 362 T CA -1.034 60.963 62.100 -0.172 0.000 1.008 362 T CB 1.758 70.529 68.868 -0.161 0.000 1.170 362 T HN 0.128 nan 8.240 nan 0.000 0.509 363 K N 0.377 120.681 120.400 -0.160 0.000 2.102 363 K HA 0.497 4.817 4.320 -0.000 0.000 0.244 363 K C 1.253 177.752 176.600 -0.169 0.000 1.021 363 K CA -0.782 55.412 56.287 -0.155 0.000 0.913 363 K CB 0.828 33.247 32.500 -0.135 0.000 1.062 363 K HN 0.340 nan 8.250 nan 0.000 0.485 364 V N 1.054 120.860 119.914 -0.180 0.000 2.568 364 V HA -0.242 3.878 4.120 -0.000 0.000 0.253 364 V C 2.163 178.182 176.094 -0.125 0.000 1.072 364 V CA 2.406 64.609 62.300 -0.162 0.000 1.084 364 V CB -0.896 30.746 31.823 -0.301 0.000 0.676 364 V HN 1.040 nan 8.190 nan 0.000 0.469 365 T N -2.601 111.847 114.554 -0.177 0.000 3.113 365 T HA 0.156 4.506 4.350 -0.000 0.000 0.263 365 T C 1.600 176.374 174.700 0.124 0.000 1.143 365 T CA 1.117 63.167 62.100 -0.084 0.000 1.090 365 T CB 0.186 68.999 68.868 -0.091 0.000 0.922 365 T HN 0.944 nan 8.240 nan 0.000 0.521 366 G N 0.642 109.491 108.800 0.081 0.000 2.195 366 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 366 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 366 G C -0.069 174.906 174.900 0.125 0.000 0.984 366 G CA 0.001 45.196 45.100 0.157 0.000 0.633 366 G HN 0.677 nan 8.290 nan 0.000 0.525 367 Q N 0.864 120.650 119.800 -0.024 0.000 2.311 367 Q HA 0.550 4.890 4.340 -0.000 0.000 0.272 367 Q C 0.715 176.539 176.000 -0.292 0.000 1.012 367 Q CA 0.305 55.872 55.803 -0.393 0.000 0.891 367 Q CB 1.026 29.549 28.738 -0.358 0.000 1.201 367 Q HN 0.789 nan 8.270 nan 0.000 0.391 368 A N 3.599 126.209 122.820 -0.351 0.000 2.388 368 A HA 0.440 4.760 4.320 -0.000 0.000 0.257 368 A C -0.515 176.957 177.584 -0.187 0.000 1.095 368 A CA -0.360 51.548 52.037 -0.215 0.000 0.791 368 A CB 0.334 19.228 19.000 -0.177 0.000 1.029 368 A HN 0.703 nan 8.150 nan 0.000 0.489 369 L N 1.190 122.328 121.223 -0.142 0.000 2.334 369 L HA 0.671 5.011 4.340 -0.000 0.000 0.273 369 L C 0.605 177.418 176.870 -0.094 0.000 1.013 369 L CA -0.387 54.382 54.840 -0.117 0.000 0.816 369 L CB 2.188 44.181 42.059 -0.110 0.000 1.278 369 L HN 0.848 nan 8.230 nan 0.000 0.431 370 T N 0.863 115.368 114.554 -0.081 0.000 2.693 370 T HA 0.741 5.091 4.350 -0.000 0.000 0.278 370 T C -1.268 173.397 174.700 -0.059 0.000 0.994 370 T CA -0.446 61.613 62.100 -0.067 0.000 1.033 370 T CB 1.896 70.726 68.868 -0.063 0.000 1.342 370 T HN 0.424 nan 8.240 nan 0.000 0.538 371 V N 1.770 121.653 119.914 -0.053 0.000 2.769 371 V HA 0.802 4.922 4.120 -0.000 0.000 0.312 371 V C -0.298 175.770 176.094 -0.043 0.000 1.061 371 V CA -1.165 61.109 62.300 -0.044 0.000 0.931 371 V CB 1.447 33.247 31.823 -0.038 0.000 1.010 371 V HN 1.032 nan 8.190 nan 0.000 0.433 372 N N 1.867 120.545 118.700 -0.037 0.000 2.405 372 N HA 0.229 4.969 4.740 -0.000 0.000 0.269 372 N C 0.863 176.354 175.510 -0.032 0.000 1.249 372 N CA -0.100 52.929 53.050 -0.034 0.000 0.974 372 N CB 0.119 38.589 38.487 -0.029 0.000 1.204 372 N HN 0.847 nan 8.380 nan 0.000 0.565 373 E N -0.385 119.798 120.200 -0.029 0.000 2.267 373 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 373 E C 0.500 177.086 176.600 -0.023 0.000 0.998 373 E CA 1.128 57.512 56.400 -0.027 0.000 0.830 373 E CB -0.378 29.307 29.700 -0.024 0.000 0.751 373 E HN 0.613 nan 8.360 nan 0.000 0.491 374 K N 0.119 120.507 120.400 -0.021 0.000 2.459 374 K HA 0.088 4.408 4.320 -0.000 0.000 0.193 374 K C 1.097 177.687 176.600 -0.018 0.000 1.030 374 K CA 0.479 56.755 56.287 -0.018 0.000 1.026 374 K CB 0.353 32.843 32.500 -0.016 0.000 0.809 374 K HN 0.334 nan 8.250 nan 0.000 0.504 375 G N 2.107 110.894 108.800 -0.021 0.000 2.143 375 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.249 375 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.249 375 G C -0.420 174.470 174.900 -0.016 0.000 0.981 375 G CA -0.025 45.064 45.100 -0.019 0.000 0.665 375 G HN 0.385 nan 8.290 nan 0.000 0.528 376 E N 0.767 120.956 120.200 -0.019 0.000 2.313 376 E HA 0.411 4.761 4.350 -0.000 0.000 0.272 376 E C -0.408 176.176 176.600 -0.026 0.000 1.038 376 E CA -0.825 55.563 56.400 -0.019 0.000 0.863 376 E CB 0.709 30.397 29.700 -0.019 0.000 1.060 376 E HN 0.203 nan 8.360 nan 0.000 0.402 377 D N 1.405 121.789 120.400 -0.028 0.000 2.455 377 D HA 0.131 4.771 4.640 -0.000 0.000 0.241 377 D C -0.606 175.668 176.300 -0.044 0.000 1.138 377 D CA 0.169 54.145 54.000 -0.039 0.000 0.877 377 D CB 1.002 41.777 40.800 -0.041 0.000 1.187 377 D HN 0.165 nan 8.370 nan 0.000 0.451 378 V N 0.007 119.889 119.914 -0.053 0.000 2.841 378 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 378 V C -0.282 175.766 176.094 -0.076 0.000 1.090 378 V CA -0.959 61.307 62.300 -0.057 0.000 0.930 378 V CB 1.821 33.615 31.823 -0.048 0.000 1.014 378 V HN 0.219 nan 8.190 nan 0.000 0.425 379 V N 4.672 124.535 119.914 -0.085 0.000 2.673 379 V HA 0.132 4.252 4.120 -0.000 0.000 0.303 379 V C 0.591 176.615 176.094 -0.117 0.000 1.046 379 V CA 0.083 62.311 62.300 -0.119 0.000 1.126 379 V CB 1.374 33.120 31.823 -0.128 0.000 0.934 379 V HN 0.786 nan 8.190 nan 0.000 0.487 380 V N 8.338 128.164 119.914 -0.147 0.000 2.372 380 V HA 0.187 4.307 4.120 -0.000 0.000 0.261 380 V C -2.013 173.991 176.094 -0.150 0.000 1.055 380 V CA -1.521 60.704 62.300 -0.126 0.000 0.930 380 V CB 0.764 32.514 31.823 -0.122 0.000 1.031 380 V HN 0.811 nan 8.190 nan 0.000 0.479 381 P HA 0.208 nan 4.420 nan 0.000 0.266 381 P C 1.070 178.340 177.300 -0.049 0.000 1.195 381 P CA 1.083 64.139 63.100 -0.073 0.000 0.768 381 P CB 0.669 32.352 31.700 -0.027 0.000 0.838 382 G N 0.996 109.791 108.800 -0.008 0.000 2.212 382 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.266 382 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.266 382 G C -0.312 174.673 174.900 0.141 0.000 0.978 382 G CA 0.124 45.296 45.100 0.120 0.000 0.632 382 G HN 0.594 nan 8.290 nan 0.000 0.537 383 L N 0.292 121.442 121.223 -0.122 0.000 2.346 383 L HA 0.912 5.252 4.340 -0.000 0.000 0.276 383 L C -0.662 175.976 176.870 -0.386 0.000 1.006 383 L CA -1.318 53.474 54.840 -0.080 0.000 0.817 383 L CB 1.174 43.186 42.059 -0.077 0.000 1.272 383 L HN 0.055 nan 8.230 nan 0.000 0.421 384 F N 3.018 122.954 119.950 -0.022 0.000 2.650 384 F HA 0.907 5.434 4.527 -0.000 0.000 0.320 384 F C -0.084 175.695 175.800 -0.035 0.000 1.091 384 F CA -0.620 57.364 58.000 -0.027 0.000 0.962 384 F CB 2.166 41.157 39.000 -0.015 0.000 1.363 384 F HN 0.592 nan 8.300 nan 0.000 0.482 385 A N 0.841 123.745 122.820 0.139 0.000 2.547 385 A HA 0.833 5.153 4.320 -0.000 0.000 0.297 385 A C -1.711 175.902 177.584 0.048 0.000 1.056 385 A CA -0.740 51.331 52.037 0.057 0.000 0.688 385 A CB 1.608 20.604 19.000 -0.007 0.000 1.282 385 A HN 1.218 nan 8.150 nan 0.000 0.400 386 V N -0.818 119.122 119.914 0.044 0.000 3.012 386 V HA 1.010 5.130 4.120 -0.000 0.000 0.307 386 V C 0.367 176.498 176.094 0.062 0.000 1.166 386 V CA 0.163 62.502 62.300 0.066 0.000 0.974 386 V CB 0.835 32.721 31.823 0.106 0.000 1.040 386 V HN 2.962 nan 8.190 nan 0.000 0.428 387 G N 2.043 110.901 108.800 0.097 0.000 2.512 387 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.210 387 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.210 387 G C 0.459 175.420 174.900 0.101 0.000 1.295 387 G CA 0.670 45.841 45.100 0.118 0.000 0.934 387 G HN 1.417 nan 8.290 nan 0.000 0.554 388 E N -0.759 119.497 120.200 0.093 0.000 2.267 388 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 388 E C 2.465 178.994 176.600 -0.119 0.000 0.998 388 E CA 1.540 57.932 56.400 -0.014 0.000 0.830 388 E CB -0.116 29.526 29.700 -0.097 0.000 0.751 388 E HN 0.490 nan 8.360 nan 0.000 0.491 389 I N 0.629 121.157 120.570 -0.071 0.000 2.676 389 I HA -0.020 4.150 4.170 -0.000 0.000 0.259 389 I C 0.669 176.734 176.117 -0.086 0.000 1.194 389 I CA 0.457 61.705 61.300 -0.086 0.000 1.473 389 I CB -0.309 37.659 38.000 -0.054 0.000 1.096 389 I HN 0.060 nan 8.210 nan 0.000 0.443 390 A N -0.562 122.218 122.820 -0.067 0.000 2.286 390 A HA 0.460 4.780 4.320 -0.000 0.000 0.286 390 A C -0.296 177.220 177.584 -0.114 0.000 1.097 390 A CA -0.319 51.663 52.037 -0.092 0.000 0.821 390 A CB 0.516 19.457 19.000 -0.098 0.000 1.076 390 A HN 0.380 nan 8.150 nan 0.000 0.490 391 C N 3.017 122.226 119.300 -0.151 0.000 2.653 391 C HA 0.457 4.917 4.460 -0.000 0.000 0.291 391 C C 1.270 176.117 174.990 -0.239 0.000 1.064 391 C CA -0.425 58.492 59.018 -0.169 0.000 1.469 391 C CB -1.152 26.490 27.740 -0.163 0.000 1.861 391 C HN 0.650 nan 8.230 nan 0.000 0.434 392 V N 3.139 122.876 119.914 -0.295 0.000 2.358 392 V HA 0.000 4.120 4.120 -0.000 0.000 0.246 392 V C 1.423 177.355 176.094 -0.269 0.000 1.047 392 V CA 1.699 63.781 62.300 -0.364 0.000 1.035 392 V CB -0.338 31.100 31.823 -0.642 0.000 0.658 392 V HN 0.810 nan 8.190 nan 0.000 0.452 393 S N -0.107 115.471 115.700 -0.203 0.000 2.449 393 S HA 0.386 4.856 4.470 -0.000 0.000 0.310 393 S C 0.302 174.814 174.600 -0.146 0.000 1.096 393 S CA -0.323 57.772 58.200 -0.175 0.000 1.095 393 S CB 1.788 64.948 63.200 -0.066 0.000 1.007 393 S HN 0.271 nan 8.310 nan 0.000 0.474 394 V N 2.988 122.714 119.914 -0.313 0.000 3.647 394 V HA 0.403 4.523 4.120 -0.000 0.000 0.279 394 V C 0.844 176.769 176.094 -0.282 0.000 1.314 394 V CA 0.326 62.459 62.300 -0.277 0.000 1.125 394 V CB -0.842 30.832 31.823 -0.247 0.000 0.907 394 V HN 0.918 nan 8.190 nan 0.000 0.434 395 H N 0.483 119.593 119.070 0.066 0.000 3.058 395 H HA 0.460 5.016 4.556 -0.000 0.000 0.258 395 H C 1.836 177.202 175.328 0.063 0.000 1.015 395 H CA 0.207 56.293 56.048 0.062 0.000 1.210 395 H CB 0.762 30.577 29.762 0.088 0.000 1.481 395 H HN 0.501 nan 8.280 nan 0.000 0.492 396 G N 1.553 110.452 108.800 0.164 0.000 2.660 396 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.321 396 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.321 396 G C 1.163 176.146 174.900 0.138 0.000 1.246 396 G CA 1.606 46.795 45.100 0.148 0.000 1.000 396 G HN 0.612 nan 8.290 nan 0.000 0.550 397 A N 0.130 123.014 122.820 0.107 0.000 2.348 397 A HA 0.598 4.918 4.320 -0.000 0.000 0.224 397 A C 0.642 178.290 177.584 0.107 0.000 1.227 397 A CA 1.467 53.567 52.037 0.106 0.000 0.885 397 A CB -0.112 18.950 19.000 0.103 0.000 0.933 397 A HN 1.712 nan 8.150 nan 0.000 0.506 398 N N -0.710 118.050 118.700 0.101 0.000 2.777 398 N HA 0.178 4.918 4.740 -0.000 0.000 0.260 398 N C -1.017 174.532 175.510 0.066 0.000 1.113 398 N CA -0.413 52.687 53.050 0.083 0.000 0.996 398 N CB 0.905 39.434 38.487 0.071 0.000 1.584 398 N HN 0.232 nan 8.380 nan 0.000 0.573 399 R N 3.927 124.436 120.500 0.014 0.000 2.438 399 R HA 0.388 4.728 4.340 -0.000 0.000 0.287 399 R C -0.404 175.854 176.300 -0.070 0.000 1.077 399 R CA -0.400 55.639 56.100 -0.102 0.000 1.034 399 R CB 0.527 30.520 30.300 -0.511 0.000 0.993 399 R HN 0.553 nan 8.270 nan 0.000 0.459 400 L N 3.673 124.895 121.223 -0.001 0.000 2.416 400 L HA 0.196 4.536 4.340 -0.000 0.000 0.272 400 L C 1.138 178.040 176.870 0.052 0.000 1.161 400 L CA -0.185 54.684 54.840 0.049 0.000 0.845 400 L CB 0.875 43.012 42.059 0.130 0.000 1.119 400 L HN 0.863 nan 8.230 nan 0.000 0.464 401 G N 1.375 110.270 108.800 0.159 0.000 2.391 401 G HA2 0.285 4.245 3.960 -0.000 0.000 0.234 401 G HA3 0.285 4.245 3.960 -0.000 0.000 0.234 401 G C 1.021 176.025 174.900 0.173 0.000 1.284 401 G CA 0.356 45.684 45.100 0.379 0.000 0.873 401 G HN 1.090 nan 8.290 nan 0.000 0.549 402 G N 1.981 110.764 108.800 -0.027 0.000 2.234 402 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 402 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 402 G C 1.223 176.099 174.900 -0.041 0.000 0.987 402 G CA 0.754 45.736 45.100 -0.197 0.000 0.625 402 G HN 0.697 nan 8.290 nan 0.000 0.532 403 N N 0.392 119.106 118.700 0.024 0.000 2.446 403 N HA 0.135 4.875 4.740 -0.000 0.000 0.179 403 N C 2.137 177.729 175.510 0.137 0.000 1.054 403 N CA 1.332 54.464 53.050 0.136 0.000 0.905 403 N CB 0.017 38.643 38.487 0.232 0.000 0.973 403 N HN 0.464 nan 8.380 nan 0.000 0.448 404 S N 0.324 115.993 115.700 -0.053 0.000 2.357 404 S HA 0.089 4.559 4.470 -0.000 0.000 0.221 404 S C 1.835 176.500 174.600 0.108 0.000 1.031 404 S CA 0.532 58.727 58.200 -0.008 0.000 0.982 404 S CB -0.158 62.937 63.200 -0.174 0.000 0.853 404 S HN 0.203 nan 8.310 nan 0.000 0.458 405 L N 1.009 122.268 121.223 0.060 0.000 2.083 405 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 405 L C 2.561 179.481 176.870 0.084 0.000 1.083 405 L CA 1.012 55.892 54.840 0.066 0.000 0.752 405 L CB -0.699 41.381 42.059 0.035 0.000 0.899 405 L HN 0.369 nan 8.230 nan 0.000 0.433 406 L N 0.680 121.956 121.223 0.089 0.000 2.012 406 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 406 L C 2.236 179.173 176.870 0.113 0.000 1.073 406 L CA 2.200 57.094 54.840 0.090 0.000 0.748 406 L CB -0.759 41.374 42.059 0.124 0.000 0.891 406 L HN 0.289 nan 8.230 nan 0.000 0.431 407 D N -0.598 119.935 120.400 0.222 0.000 2.104 407 D HA -0.238 4.402 4.640 -0.000 0.000 0.194 407 D C 2.170 178.665 176.300 0.325 0.000 0.994 407 D CA 2.098 56.327 54.000 0.381 0.000 0.830 407 D CB -0.291 40.798 40.800 0.483 0.000 0.959 407 D HN 0.472 nan 8.370 nan 0.000 0.452 408 L N -0.178 121.179 121.223 0.224 0.000 2.013 408 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 408 L C 2.774 179.715 176.870 0.119 0.000 1.073 408 L CA 1.113 56.053 54.840 0.166 0.000 0.753 408 L CB -0.752 41.375 42.059 0.114 0.000 0.890 408 L HN 0.041 nan 8.230 nan 0.000 0.432 409 V N -0.844 119.114 119.914 0.074 0.000 2.346 409 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 409 V C 2.444 178.530 176.094 -0.013 0.000 1.037 409 V CA 1.197 63.514 62.300 0.027 0.000 1.029 409 V CB -0.062 31.769 31.823 0.013 0.000 0.663 409 V HN 0.162 nan 8.190 nan 0.000 0.454 410 V N -0.493 119.370 119.914 -0.084 0.000 2.295 410 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 410 V C 2.176 178.136 176.094 -0.224 0.000 1.049 410 V CA 2.255 64.404 62.300 -0.252 0.000 1.024 410 V CB -0.692 30.826 31.823 -0.510 0.000 0.648 410 V HN 0.465 nan 8.190 nan 0.000 0.447 411 F N 0.823 120.846 119.950 0.123 0.000 2.387 411 F HA 0.226 4.753 4.527 0.000 0.000 0.294 411 F C 2.356 178.204 175.800 0.080 0.000 1.093 411 F CA 0.764 58.830 58.000 0.110 0.000 1.420 411 F CB -1.278 37.770 39.000 0.080 0.000 1.086 411 F HN 0.151 nan 8.300 nan 0.000 0.531 412 G N 0.138 109.063 108.800 0.207 0.000 2.446 412 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 412 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 412 G C 1.854 176.803 174.900 0.081 0.000 1.168 412 G CA 0.930 46.099 45.100 0.116 0.000 0.771 412 G HN 0.236 nan 8.290 nan 0.000 0.551 413 R N 0.487 121.024 120.500 0.063 0.000 2.073 413 R HA 0.017 4.357 4.340 -0.000 0.000 0.234 413 R C 2.943 179.291 176.300 0.080 0.000 1.134 413 R CA 1.489 57.614 56.100 0.042 0.000 0.952 413 R CB -0.444 29.864 30.300 0.013 0.000 0.850 413 R HN 0.288 nan 8.270 nan 0.000 0.433 414 A N 0.837 123.745 122.820 0.147 0.000 1.892 414 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 414 A C 2.375 180.110 177.584 0.253 0.000 1.188 414 A CA 1.941 54.131 52.037 0.255 0.000 0.631 414 A CB -0.915 18.256 19.000 0.285 0.000 0.822 414 A HN 0.563 nan 8.150 nan 0.000 0.447 415 A N -0.715 122.215 122.820 0.184 0.000 1.940 415 A HA 0.091 4.411 4.320 -0.000 0.000 0.219 415 A C 2.382 179.985 177.584 0.032 0.000 1.176 415 A CA 2.029 54.143 52.037 0.129 0.000 0.631 415 A CB -1.290 17.768 19.000 0.096 0.000 0.814 415 A HN 0.757 nan 8.150 nan 0.000 0.446 416 G N -0.496 108.310 108.800 0.010 0.000 2.403 416 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.216 416 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.216 416 G C 1.532 176.405 174.900 -0.045 0.000 1.154 416 G CA 0.836 45.912 45.100 -0.040 0.000 0.784 416 G HN 0.421 nan 8.290 nan 0.000 0.538 417 L N -0.240 120.956 121.223 -0.045 0.000 2.083 417 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 417 L C 2.286 179.000 176.870 -0.261 0.000 1.083 417 L CA 0.884 55.625 54.840 -0.166 0.000 0.752 417 L CB -0.266 41.653 42.059 -0.233 0.000 0.899 417 L HN 0.281 nan 8.230 nan 0.000 0.433 418 H N -1.348 117.727 119.070 0.008 0.000 2.551 418 H HA 0.059 4.615 4.556 0.000 0.000 0.271 418 H C 1.872 177.210 175.328 0.016 0.000 0.984 418 H CA 0.037 56.097 56.048 0.020 0.000 1.164 418 H CB 0.713 30.496 29.762 0.035 0.000 1.437 418 H HN 0.198 nan 8.280 nan 0.000 0.550 419 L N 1.154 122.397 121.223 0.034 0.000 2.012 419 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 419 L C 2.413 179.285 176.870 0.002 0.000 1.073 419 L CA 1.670 56.481 54.840 -0.047 0.000 0.748 419 L CB -0.240 41.727 42.059 -0.154 0.000 0.891 419 L HN 0.145 nan 8.230 nan 0.000 0.431 420 Q N -0.876 118.924 119.800 0.001 0.000 2.084 420 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 420 Q C 2.116 178.143 176.000 0.045 0.000 0.978 420 Q CA 2.022 57.834 55.803 0.015 0.000 0.844 420 Q CB -0.085 28.653 28.738 -0.000 0.000 0.898 420 Q HN 0.620 nan 8.270 nan 0.000 0.426 421 E N -0.305 119.935 120.200 0.067 0.000 2.072 421 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 421 E C 2.130 178.792 176.600 0.103 0.000 0.985 421 E CA 1.133 57.584 56.400 0.085 0.000 0.801 421 E CB 0.091 29.860 29.700 0.114 0.000 0.750 421 E HN 0.160 nan 8.360 nan 0.000 0.452 422 S N 0.852 116.642 115.700 0.149 0.000 2.368 422 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 422 S C 2.025 176.738 174.600 0.188 0.000 1.030 422 S CA 0.820 59.143 58.200 0.206 0.000 0.999 422 S CB -0.138 63.309 63.200 0.412 0.000 0.844 422 S HN 0.201 nan 8.310 nan 0.000 0.459 423 I N 1.508 122.170 120.570 0.153 0.000 2.252 423 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 423 I C 2.661 178.824 176.117 0.078 0.000 1.102 423 I CA 0.999 62.369 61.300 0.117 0.000 1.385 423 I CB -0.424 37.619 38.000 0.072 0.000 1.064 423 I HN 0.267 nan 8.210 nan 0.000 0.414 424 A N 0.231 123.089 122.820 0.063 0.000 1.930 424 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 424 A C 2.330 179.939 177.584 0.042 0.000 1.175 424 A CA 1.802 53.866 52.037 0.045 0.000 0.627 424 A CB -0.584 18.438 19.000 0.037 0.000 0.815 424 A HN 0.506 nan 8.150 nan 0.000 0.443 425 E N 0.216 120.446 120.200 0.050 0.000 2.150 425 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 425 E C 2.128 178.745 176.600 0.028 0.000 0.985 425 E CA 1.295 57.717 56.400 0.036 0.000 0.814 425 E CB -0.184 29.538 29.700 0.036 0.000 0.752 425 E HN 0.894 nan 8.360 nan 0.000 0.466 426 Q N 0.028 119.852 119.800 0.041 0.000 2.389 426 Q HA 0.113 4.453 4.340 -0.000 0.000 0.204 426 Q C 0.894 176.910 176.000 0.027 0.000 0.944 426 Q CA 0.681 56.501 55.803 0.028 0.000 0.908 426 Q CB 0.174 28.936 28.738 0.039 0.000 1.002 426 Q HN 0.185 nan 8.270 nan 0.000 0.493 427 G N 1.156 109.975 108.800 0.032 0.000 2.829 427 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.628 427 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.628 427 G C -0.304 174.614 174.900 0.031 0.000 1.412 427 G CA -0.396 44.720 45.100 0.027 0.000 0.864 427 G HN 0.823 nan 8.290 nan 0.000 0.544 428 A N -0.185 122.650 122.820 0.025 0.000 2.520 428 A HA 0.568 4.888 4.320 -0.000 0.000 0.245 428 A C 0.792 178.393 177.584 0.028 0.000 1.072 428 A CA 0.329 52.382 52.037 0.026 0.000 0.761 428 A CB 0.014 19.026 19.000 0.020 0.000 1.004 428 A HN 1.229 nan 8.150 nan 0.000 0.499 429 L N 2.675 123.919 121.223 0.035 0.000 2.325 429 L HA 0.443 4.783 4.340 -0.000 0.000 0.279 429 L C 1.034 177.925 176.870 0.035 0.000 1.054 429 L CA -0.648 54.214 54.840 0.036 0.000 0.804 429 L CB 1.077 43.166 42.059 0.050 0.000 1.200 429 L HN 0.872 nan 8.230 nan 0.000 0.436 430 R N 1.254 121.772 120.500 0.029 0.000 2.694 430 R HA 0.044 4.384 4.340 -0.000 0.000 0.268 430 R C -0.659 175.665 176.300 0.040 0.000 1.061 430 R CA -0.569 55.547 56.100 0.028 0.000 1.133 430 R CB 0.565 30.876 30.300 0.019 0.000 1.020 430 R HN 0.508 nan 8.270 nan 0.000 0.475 431 D N 1.510 121.934 120.400 0.040 0.000 2.414 431 D HA 0.107 4.747 4.640 -0.000 0.000 0.242 431 D C -0.356 175.973 176.300 0.048 0.000 1.129 431 D CA 0.335 54.370 54.000 0.058 0.000 0.885 431 D CB 1.131 41.962 40.800 0.052 0.000 1.198 431 D HN 0.620 nan 8.370 nan 0.000 0.437 432 A N 1.979 124.838 122.820 0.064 0.000 2.511 432 A HA 0.341 4.661 4.320 -0.000 0.000 0.242 432 A C 0.781 178.355 177.584 -0.017 0.000 1.069 432 A CA -0.313 51.725 52.037 0.002 0.000 0.763 432 A CB -0.027 18.933 19.000 -0.066 0.000 1.001 432 A HN 0.534 nan 8.150 nan 0.000 0.498 433 S N 1.216 116.897 115.700 -0.032 0.000 2.624 433 S HA 0.168 4.638 4.470 -0.000 0.000 0.263 433 S C 0.959 175.523 174.600 -0.060 0.000 1.287 433 S CA 0.292 58.474 58.200 -0.031 0.000 0.990 433 S CB 0.817 64.002 63.200 -0.024 0.000 0.950 433 S HN 0.818 nan 8.310 nan 0.000 0.561 434 E N 0.460 120.633 120.200 -0.045 0.000 2.153 434 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 434 E C 1.991 178.553 176.600 -0.063 0.000 0.988 434 E CA 1.380 57.747 56.400 -0.055 0.000 0.811 434 E CB -0.272 29.411 29.700 -0.028 0.000 0.746 434 E HN 0.821 nan 8.360 nan 0.000 0.466 435 S N 0.262 115.933 115.700 -0.048 0.000 2.406 435 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 435 S C 1.485 176.052 174.600 -0.056 0.000 1.020 435 S CA 1.114 59.288 58.200 -0.043 0.000 0.965 435 S CB -0.080 63.103 63.200 -0.029 0.000 0.798 435 S HN 0.207 nan 8.310 nan 0.000 0.488 436 D N 1.573 121.930 120.400 -0.071 0.000 2.117 436 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 436 D C 2.127 178.351 176.300 -0.126 0.000 0.987 436 D CA 1.064 55.014 54.000 -0.083 0.000 0.829 436 D CB -0.431 40.318 40.800 -0.085 0.000 0.961 436 D HN 0.353 nan 8.370 nan 0.000 0.460 437 V N 0.896 120.696 119.914 -0.189 0.000 2.358 437 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 437 V C 2.438 178.460 176.094 -0.120 0.000 1.047 437 V CA 1.454 63.604 62.300 -0.251 0.000 1.035 437 V CB -0.380 31.228 31.823 -0.358 0.000 0.658 437 V HN 0.059 nan 8.190 nan 0.000 0.452 438 E N 0.974 121.126 120.200 -0.080 0.000 2.097 438 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 438 E C 2.141 178.726 176.600 -0.025 0.000 1.000 438 E CA 1.785 58.162 56.400 -0.039 0.000 0.804 438 E CB -0.574 29.108 29.700 -0.030 0.000 0.740 438 E HN 0.523 nan 8.360 nan 0.000 0.454 439 A N -0.367 122.434 122.820 -0.033 0.000 1.978 439 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 439 A C 2.361 179.942 177.584 -0.005 0.000 1.170 439 A CA 1.898 53.923 52.037 -0.019 0.000 0.636 439 A CB -0.601 18.384 19.000 -0.024 0.000 0.810 439 A HN 0.249 nan 8.150 nan 0.000 0.448 440 S N -0.887 114.806 115.700 -0.012 0.000 2.561 440 S HA 0.178 4.648 4.470 -0.000 0.000 0.225 440 S C 1.206 175.832 174.600 0.043 0.000 0.977 440 S CA 0.473 58.682 58.200 0.015 0.000 0.926 440 S CB -0.188 63.014 63.200 0.004 0.000 0.769 440 S HN 0.524 nan 8.310 nan 0.000 0.533 441 L N 0.260 121.503 121.223 0.034 0.000 2.693 441 L HA 0.193 4.533 4.340 -0.000 0.000 0.235 441 L C 1.199 178.103 176.870 0.056 0.000 1.127 441 L CA 0.026 54.900 54.840 0.055 0.000 0.914 441 L CB -0.062 42.024 42.059 0.044 0.000 1.193 441 L HN 0.048 nan 8.230 nan 0.000 0.502 442 D N 0.950 121.374 120.400 0.040 0.000 2.117 442 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 442 D C 2.143 178.469 176.300 0.045 0.000 0.987 442 D CA 1.126 55.144 54.000 0.029 0.000 0.829 442 D CB 0.094 40.901 40.800 0.011 0.000 0.961 442 D HN 0.196 nan 8.370 nan 0.000 0.460 443 R N 0.231 120.775 120.500 0.075 0.000 2.081 443 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 443 R C 2.308 178.741 176.300 0.220 0.000 1.131 443 R CA 0.839 57.010 56.100 0.118 0.000 0.960 443 R CB -0.367 30.025 30.300 0.152 0.000 0.856 443 R HN 0.148 nan 8.270 nan 0.000 0.436 444 L N 1.439 122.783 121.223 0.202 0.000 2.017 444 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 444 L C 1.426 178.402 176.870 0.177 0.000 1.073 444 L CA 1.845 56.815 54.840 0.217 0.000 0.745 444 L CB -0.608 41.536 42.059 0.142 0.000 0.894 444 L HN 0.189 nan 8.230 nan 0.000 0.432 445 N N -0.048 118.714 118.700 0.105 0.000 2.223 445 N HA -0.211 4.529 4.740 -0.000 0.000 0.185 445 N C 1.961 177.500 175.510 0.048 0.000 1.016 445 N CA 1.250 54.340 53.050 0.067 0.000 0.863 445 N CB -0.473 38.036 38.487 0.037 0.000 0.983 445 N HN 0.435 nan 8.380 nan 0.000 0.429 446 R N -0.119 120.391 120.500 0.017 0.000 2.073 446 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 446 R C 1.861 178.105 176.300 -0.094 0.000 1.134 446 R CA 1.373 57.420 56.100 -0.088 0.000 0.952 446 R CB -0.253 29.929 30.300 -0.196 0.000 0.850 446 R HN 0.256 nan 8.270 nan 0.000 0.433 447 W N 1.263 122.555 121.300 -0.012 0.000 2.354 447 W HA -0.109 4.551 4.660 -0.000 0.000 0.315 447 W C 1.999 178.507 176.519 -0.018 0.000 1.206 447 W CA 0.648 57.982 57.345 -0.019 0.000 1.290 447 W CB -0.531 28.912 29.460 -0.027 0.000 1.152 447 W HN 0.163 nan 8.180 nan 0.000 0.489 448 N N 0.019 118.846 118.700 0.212 0.000 2.513 448 N HA -0.138 4.602 4.740 -0.000 0.000 0.187 448 N C 0.793 176.346 175.510 0.071 0.000 1.056 448 N CA 1.079 54.198 53.050 0.115 0.000 0.907 448 N CB -0.545 37.990 38.487 0.080 0.000 0.954 448 N HN 0.414 nan 8.380 nan 0.000 0.445 449 N N -0.001 118.730 118.700 0.052 0.000 2.184 449 N HA -0.015 4.725 4.740 -0.000 0.000 0.206 449 N C -0.388 175.126 175.510 0.005 0.000 1.151 449 N CA -0.061 53.001 53.050 0.020 0.000 0.878 449 N CB 0.453 38.942 38.487 0.002 0.000 1.014 449 N HN 0.085 nan 8.380 nan 0.000 0.512 450 N N 1.739 120.444 118.700 0.009 0.000 2.527 450 N HA 0.148 4.888 4.740 -0.000 0.000 0.236 450 N C 0.570 176.094 175.510 0.024 0.000 0.999 450 N CA -0.172 52.870 53.050 -0.015 0.000 0.935 450 N CB 0.748 39.182 38.487 -0.088 0.000 1.132 450 N HN -0.089 nan 8.380 nan 0.000 0.511 451 R N 2.114 122.623 120.500 0.015 0.000 2.189 451 R HA 0.205 4.545 4.340 -0.000 0.000 0.203 451 R C 0.335 176.645 176.300 0.016 0.000 1.012 451 R CA 0.561 56.675 56.100 0.023 0.000 1.015 451 R CB 0.072 30.382 30.300 0.016 0.000 0.938 451 R HN 0.522 nan 8.270 nan 0.000 0.472 452 N N -0.069 118.632 118.700 0.002 0.000 2.184 452 N HA 0.094 4.834 4.740 -0.000 0.000 0.206 452 N C 0.769 176.275 175.510 -0.007 0.000 1.151 452 N CA 0.255 53.304 53.050 -0.001 0.000 0.878 452 N CB 0.995 39.478 38.487 -0.006 0.000 1.014 452 N HN 0.105 nan 8.380 nan 0.000 0.512 453 G N 0.331 109.123 108.800 -0.014 0.000 2.485 453 G HA2 0.145 4.105 3.960 -0.000 0.000 0.260 453 G HA3 0.145 4.105 3.960 -0.000 0.000 0.260 453 G C 0.033 174.929 174.900 -0.006 0.000 1.459 453 G CA -0.341 44.744 45.100 -0.026 0.000 1.060 453 G HN 0.054 nan 8.290 nan 0.000 0.546 454 E N 0.169 120.363 120.200 -0.011 0.000 2.373 454 E HA 0.095 4.445 4.350 -0.000 0.000 0.263 454 E C -0.818 175.806 176.600 0.040 0.000 1.073 454 E CA -0.435 55.970 56.400 0.008 0.000 0.894 454 E CB 1.118 30.817 29.700 -0.002 0.000 1.008 454 E HN 0.325 nan 8.360 nan 0.000 0.420 455 D N 3.115 123.540 120.400 0.042 0.000 2.382 455 D HA -0.006 4.634 4.640 -0.000 0.000 0.259 455 D C -1.454 174.891 176.300 0.075 0.000 1.224 455 D CA -1.924 52.110 54.000 0.056 0.000 0.894 455 D CB 0.876 41.698 40.800 0.037 0.000 1.127 455 D HN 0.125 nan 8.370 nan 0.000 0.487 456 P HA -0.141 nan 4.420 nan 0.000 0.222 456 P C 1.536 178.879 177.300 0.072 0.000 1.147 456 P CA 0.366 63.549 63.100 0.139 0.000 0.790 456 P CB 0.393 32.201 31.700 0.180 0.000 0.780 457 V N 1.168 121.110 119.914 0.047 0.000 2.295 457 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 457 V C 2.827 178.938 176.094 0.028 0.000 1.049 457 V CA 2.342 64.660 62.300 0.029 0.000 1.024 457 V CB -1.698 30.138 31.823 0.021 0.000 0.648 457 V HN 0.118 nan 8.190 nan 0.000 0.447 458 A N -0.392 122.445 122.820 0.028 0.000 1.972 458 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 458 A C 2.172 179.768 177.584 0.020 0.000 1.169 458 A CA 1.686 53.736 52.037 0.021 0.000 0.635 458 A CB -0.534 18.477 19.000 0.018 0.000 0.810 458 A HN 0.527 nan 8.150 nan 0.000 0.446 459 I N -1.053 119.536 120.570 0.031 0.000 2.252 459 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 459 I C 2.698 178.829 176.117 0.024 0.000 1.102 459 I CA 1.547 62.866 61.300 0.030 0.000 1.385 459 I CB -0.290 37.741 38.000 0.052 0.000 1.064 459 I HN 0.386 nan 8.210 nan 0.000 0.414 460 R N 1.566 122.083 120.500 0.029 0.000 2.081 460 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 460 R C 2.212 178.514 176.300 0.003 0.000 1.131 460 R CA 1.559 57.669 56.100 0.017 0.000 0.960 460 R CB -0.046 30.266 30.300 0.021 0.000 0.856 460 R HN 0.251 nan 8.270 nan 0.000 0.436 461 K N -0.190 120.214 120.400 0.007 0.000 2.097 461 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 461 K C 2.037 178.627 176.600 -0.016 0.000 1.050 461 K CA 1.266 57.553 56.287 0.001 0.000 0.938 461 K CB -0.050 32.456 32.500 0.010 0.000 0.718 461 K HN 0.241 nan 8.250 nan 0.000 0.442 462 A N 1.471 124.282 122.820 -0.015 0.000 1.930 462 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 462 A C 2.070 179.630 177.584 -0.039 0.000 1.175 462 A CA 0.921 52.941 52.037 -0.028 0.000 0.627 462 A CB -0.519 18.473 19.000 -0.014 0.000 0.815 462 A HN 0.314 nan 8.150 nan 0.000 0.443 463 L N -0.609 120.595 121.223 -0.031 0.000 2.017 463 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 463 L C 2.639 179.457 176.870 -0.088 0.000 1.073 463 L CA 2.068 56.879 54.840 -0.048 0.000 0.745 463 L CB -0.410 41.626 42.059 -0.038 0.000 0.894 463 L HN 0.474 nan 8.230 nan 0.000 0.432 464 Q N -0.488 119.265 119.800 -0.079 0.000 2.119 464 Q HA -0.279 4.061 4.340 -0.000 0.000 0.201 464 Q C 2.055 178.015 176.000 -0.067 0.000 0.972 464 Q CA 1.903 57.651 55.803 -0.091 0.000 0.847 464 Q CB -0.104 28.611 28.738 -0.038 0.000 0.903 464 Q HN 0.612 nan 8.270 nan 0.000 0.433 465 E N 0.097 120.253 120.200 -0.075 0.000 2.072 465 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 465 E C 2.055 178.529 176.600 -0.210 0.000 0.985 465 E CA 1.072 57.385 56.400 -0.146 0.000 0.801 465 E CB -0.132 29.449 29.700 -0.198 0.000 0.750 465 E HN 0.372 nan 8.360 nan 0.000 0.452 466 C N 0.688 119.913 119.300 -0.125 0.000 2.413 466 C HA -0.140 4.320 4.460 -0.000 0.000 0.276 466 C C 2.617 177.657 174.990 0.083 0.000 1.236 466 C CA 0.939 59.935 59.018 -0.036 0.000 1.735 466 C CB -0.773 26.978 27.740 0.018 0.000 2.031 466 C HN 0.527 nan 8.230 nan 0.000 0.474 467 M N 0.108 119.711 119.600 0.005 0.000 2.175 467 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 467 M C 2.061 178.447 176.300 0.142 0.000 1.063 467 M CA 1.584 56.865 55.300 -0.030 0.000 1.119 467 M CB -1.783 30.392 32.600 -0.708 0.000 1.377 467 M HN 0.476 nan 8.290 nan 0.000 0.415 468 Q N -0.189 119.716 119.800 0.175 0.000 2.079 468 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 468 Q C 1.924 178.138 176.000 0.357 0.000 0.974 468 Q CA 1.691 57.719 55.803 0.376 0.000 0.840 468 Q CB -0.175 28.767 28.738 0.340 0.000 0.898 468 Q HN 0.647 nan 8.270 nan 0.000 0.430 469 H N -1.279 117.845 119.070 0.089 0.000 2.403 469 H HA 0.086 4.642 4.556 -0.000 0.000 0.298 469 H C 0.925 176.243 175.328 -0.017 0.000 1.059 469 H CA 0.885 56.956 56.048 0.039 0.000 1.363 469 H CB 0.480 30.255 29.762 0.022 0.000 1.410 469 H HN 0.287 nan 8.280 nan 0.000 0.528 470 N N -0.209 118.523 118.700 0.055 0.000 2.250 470 N HA 0.019 4.759 4.740 -0.000 0.000 0.190 470 N C -0.336 174.785 175.510 -0.649 0.000 1.116 470 N CA 0.338 53.201 53.050 -0.312 0.000 0.881 470 N CB 0.761 38.965 38.487 -0.472 0.000 1.006 470 N HN 0.179 nan 8.380 nan 0.000 0.491 471 F N 0.125 120.169 119.950 0.156 0.000 2.790 471 F HA 0.340 4.867 4.527 -0.000 0.000 0.371 471 F C 0.980 176.975 175.800 0.326 0.000 1.293 471 F CA -0.545 57.581 58.000 0.210 0.000 1.205 471 F CB 0.327 39.429 39.000 0.171 0.000 1.047 471 F HN -0.221 nan 8.300 nan 0.000 0.510 472 S N -0.504 115.339 115.700 0.240 0.000 2.481 472 S HA 0.310 4.780 4.470 -0.000 0.000 0.267 472 S C 1.680 175.999 174.600 -0.468 0.000 1.174 472 S CA -0.123 58.029 58.200 -0.080 0.000 1.027 472 S CB 0.548 63.695 63.200 -0.089 0.000 1.117 472 S HN -0.040 nan 8.310 nan 0.000 0.495 473 V N 0.323 119.696 119.914 -0.902 0.000 2.332 473 V HA -0.018 4.102 4.120 -0.000 0.000 0.248 473 V C 0.368 176.022 176.094 -0.733 0.000 1.055 473 V CA 1.516 63.279 62.300 -0.895 0.000 1.038 473 V CB -0.785 30.507 31.823 -0.885 0.000 0.651 473 V HN 0.572 nan 8.190 nan 0.000 0.450 474 F N -0.330 119.446 119.950 -0.290 0.000 2.458 474 F HA 0.654 5.181 4.527 0.000 0.000 0.336 474 F C 0.454 176.062 175.800 -0.319 0.000 1.114 474 F CA -0.869 56.905 58.000 -0.376 0.000 0.987 474 F CB 1.177 39.973 39.000 -0.340 0.000 1.130 474 F HN -0.131 nan 8.300 nan 0.000 0.458 475 R N 1.709 122.084 120.500 -0.209 0.000 2.854 475 R HA 0.661 5.001 4.340 -0.000 0.000 0.271 475 R C -1.080 175.154 176.300 -0.109 0.000 0.996 475 R CA -1.125 54.895 56.100 -0.134 0.000 0.961 475 R CB 2.642 32.885 30.300 -0.096 0.000 1.182 475 R HN 0.752 nan 8.270 nan 0.000 0.479 476 E N -0.200 120.000 120.200 0.000 0.000 2.331 476 E HA 0.268 4.618 4.350 -0.000 0.000 0.275 476 E C 0.056 176.691 176.600 0.059 0.000 0.895 476 E CA -0.966 55.486 56.400 0.086 0.000 0.753 476 E CB 1.809 31.626 29.700 0.196 0.000 1.216 476 E HN 0.582 nan 8.360 nan 0.000 0.434 477 G N 2.893 111.755 108.800 0.102 0.000 2.513 477 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 477 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 477 G C 0.777 175.727 174.900 0.082 0.000 1.160 477 G CA 1.459 46.632 45.100 0.121 0.000 0.767 477 G HN 0.606 nan 8.290 nan 0.000 0.571 478 D N 0.807 121.244 120.400 0.062 0.000 2.084 478 D HA -0.008 4.632 4.640 -0.000 0.000 0.194 478 D C 2.862 179.176 176.300 0.024 0.000 0.990 478 D CA 1.392 55.419 54.000 0.045 0.000 0.826 478 D CB -0.638 40.183 40.800 0.035 0.000 0.971 478 D HN 0.303 nan 8.370 nan 0.000 0.453 479 A N 0.470 123.291 122.820 0.001 0.000 1.933 479 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 479 A C 2.265 179.777 177.584 -0.120 0.000 1.175 479 A CA 1.362 53.373 52.037 -0.043 0.000 0.628 479 A CB -0.537 18.436 19.000 -0.045 0.000 0.814 479 A HN 0.164 nan 8.150 nan 0.000 0.444 480 M N -0.748 118.766 119.600 -0.144 0.000 2.132 480 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 480 M C 2.548 178.882 176.300 0.058 0.000 1.065 480 M CA 1.351 56.531 55.300 -0.200 0.000 1.122 480 M CB -0.413 32.158 32.600 -0.048 0.000 1.365 480 M HN 0.497 nan 8.290 nan 0.000 0.411 481 A N 0.514 123.380 122.820 0.078 0.000 1.902 481 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 481 A C 2.090 179.734 177.584 0.100 0.000 1.181 481 A CA 1.713 53.816 52.037 0.110 0.000 0.623 481 A CB -0.451 18.608 19.000 0.098 0.000 0.818 481 A HN 0.395 nan 8.150 nan 0.000 0.443 482 K N -0.721 119.718 120.400 0.066 0.000 2.057 482 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 482 K C 2.161 178.811 176.600 0.085 0.000 1.050 482 K CA 1.031 57.356 56.287 0.063 0.000 0.935 482 K CB -0.501 32.023 32.500 0.039 0.000 0.715 482 K HN 0.449 nan 8.250 nan 0.000 0.439 483 G N 1.715 110.563 108.800 0.078 0.000 2.476 483 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 483 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 483 G C 1.405 176.466 174.900 0.268 0.000 1.164 483 G CA 0.896 46.098 45.100 0.170 0.000 0.768 483 G HN 0.172 nan 8.290 nan 0.000 0.560 484 L N 0.640 122.040 121.223 0.294 0.000 2.012 484 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 484 L C 2.652 179.635 176.870 0.188 0.000 1.073 484 L CA 2.078 57.051 54.840 0.222 0.000 0.748 484 L CB -0.549 41.618 42.059 0.180 0.000 0.891 484 L HN 0.139 nan 8.230 nan 0.000 0.431 485 E N -0.357 119.933 120.200 0.150 0.000 2.051 485 E HA -0.260 4.090 4.350 -0.000 0.000 0.192 485 E C 2.198 178.862 176.600 0.107 0.000 0.991 485 E CA 1.423 57.896 56.400 0.121 0.000 0.799 485 E CB -0.348 29.407 29.700 0.091 0.000 0.748 485 E HN 0.656 nan 8.360 nan 0.000 0.449 486 Q N 0.201 120.061 119.800 0.100 0.000 2.096 486 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 486 Q C 2.436 178.485 176.000 0.082 0.000 0.982 486 Q CA 1.146 56.995 55.803 0.077 0.000 0.850 486 Q CB -0.185 28.592 28.738 0.064 0.000 0.901 486 Q HN 0.251 nan 8.270 nan 0.000 0.422 487 L N 0.321 121.618 121.223 0.123 0.000 2.093 487 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 487 L C 2.235 179.173 176.870 0.113 0.000 1.085 487 L CA 1.111 56.029 54.840 0.130 0.000 0.755 487 L CB -0.304 41.874 42.059 0.198 0.000 0.904 487 L HN 0.155 nan 8.230 nan 0.000 0.435 488 K N -0.361 120.125 120.400 0.144 0.000 2.063 488 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 488 K C 2.043 178.650 176.600 0.011 0.000 1.048 488 K CA 1.280 57.605 56.287 0.063 0.000 0.928 488 K CB -0.242 32.324 32.500 0.109 0.000 0.713 488 K HN 0.101 nan 8.250 nan 0.000 0.442 489 V N 1.597 121.529 119.914 0.030 0.000 2.358 489 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 489 V C 2.146 178.239 176.094 -0.002 0.000 1.047 489 V CA 1.592 63.899 62.300 0.012 0.000 1.035 489 V CB -0.324 31.511 31.823 0.020 0.000 0.658 489 V HN 0.273 nan 8.190 nan 0.000 0.452 490 I N -0.403 120.171 120.570 0.007 0.000 2.315 490 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 490 I C 2.722 178.828 176.117 -0.017 0.000 1.117 490 I CA 1.462 62.762 61.300 0.000 0.000 1.404 490 I CB -0.399 37.606 38.000 0.010 0.000 1.071 490 I HN 0.201 nan 8.210 nan 0.000 0.419 491 R N 0.787 121.266 120.500 -0.035 0.000 2.115 491 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 491 R C 2.015 178.268 176.300 -0.078 0.000 1.111 491 R CA 1.214 57.270 56.100 -0.074 0.000 0.976 491 R CB 0.041 30.248 30.300 -0.154 0.000 0.870 491 R HN 0.298 nan 8.270 nan 0.000 0.445 492 E N 0.640 120.802 120.200 -0.064 0.000 2.046 492 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 492 E C 2.077 178.641 176.600 -0.059 0.000 0.982 492 E CA 1.011 57.374 56.400 -0.061 0.000 0.800 492 E CB -0.165 29.509 29.700 -0.044 0.000 0.756 492 E HN 0.342 nan 8.360 nan 0.000 0.449 493 R N 0.489 120.963 120.500 -0.043 0.000 2.103 493 R HA -0.160 4.180 4.340 -0.000 0.000 0.242 493 R C 2.387 178.650 176.300 -0.061 0.000 1.142 493 R CA 1.095 57.170 56.100 -0.041 0.000 0.960 493 R CB -0.483 29.805 30.300 -0.020 0.000 0.858 493 R HN 0.073 nan 8.270 nan 0.000 0.439 494 L N 1.577 122.767 121.223 -0.056 0.000 2.191 494 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 494 L C 1.326 178.089 176.870 -0.178 0.000 1.103 494 L CA 1.787 56.586 54.840 -0.070 0.000 0.769 494 L CB -0.176 41.876 42.059 -0.012 0.000 0.908 494 L HN -0.001 nan 8.230 nan 0.000 0.438 495 K N -0.900 119.406 120.400 -0.156 0.000 2.439 495 K HA -0.073 4.247 4.320 -0.000 0.000 0.197 495 K C 0.884 177.351 176.600 -0.222 0.000 1.041 495 K CA 0.870 57.040 56.287 -0.195 0.000 0.970 495 K CB -0.103 32.316 32.500 -0.135 0.000 0.773 495 K HN 0.225 nan 8.250 nan 0.000 0.479 496 N N 0.366 118.955 118.700 -0.185 0.000 2.338 496 N HA 0.138 4.878 4.740 -0.000 0.000 0.251 496 N C -1.273 174.133 175.510 -0.174 0.000 1.199 496 N CA -0.274 52.675 53.050 -0.167 0.000 0.879 496 N CB 0.596 39.022 38.487 -0.101 0.000 1.159 496 N HN 0.064 nan 8.380 nan 0.000 0.514 497 A N 0.787 123.447 122.820 -0.267 0.000 2.354 497 A HA 0.520 4.840 4.320 -0.000 0.000 0.269 497 A C 0.413 177.904 177.584 -0.156 0.000 1.109 497 A CA -0.614 51.322 52.037 -0.169 0.000 0.800 497 A CB 0.360 19.312 19.000 -0.080 0.000 1.045 497 A HN 0.537 nan 8.150 nan 0.000 0.489 498 R N 1.106 121.640 120.500 0.057 0.000 2.500 498 R HA 0.660 5.000 4.340 -0.000 0.000 0.277 498 R C -1.147 175.341 176.300 0.314 0.000 1.026 498 R CA -0.694 55.481 56.100 0.126 0.000 1.058 498 R CB 0.735 31.079 30.300 0.073 0.000 1.078 498 R HN 0.466 nan 8.270 nan 0.000 0.509 499 L N 2.725 124.120 121.223 0.288 0.000 2.277 499 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 499 L C -0.360 176.572 176.870 0.103 0.000 1.028 499 L CA -0.048 54.927 54.840 0.226 0.000 0.835 499 L CB 1.375 43.590 42.059 0.259 0.000 1.215 499 L HN 0.735 nan 8.230 nan 0.000 0.425 500 D N 1.555 121.993 120.400 0.063 0.000 2.323 500 D HA -0.012 4.628 4.640 -0.000 0.000 0.209 500 D C -0.272 176.040 176.300 0.019 0.000 0.973 500 D CA 0.775 54.797 54.000 0.037 0.000 0.874 500 D CB 0.321 41.138 40.800 0.027 0.000 0.930 500 D HN 0.573 nan 8.370 nan 0.000 0.521 501 D N -0.565 119.839 120.400 0.006 0.000 2.381 501 D HA 0.093 4.733 4.640 -0.000 0.000 0.235 501 D C 0.344 176.641 176.300 -0.005 0.000 1.068 501 D CA -0.139 53.858 54.000 -0.004 0.000 0.832 501 D CB 1.436 42.225 40.800 -0.019 0.000 1.101 501 D HN -0.255 nan 8.370 nan 0.000 0.515 502 T N 1.319 115.875 114.554 0.003 0.000 3.054 502 T HA 0.115 4.465 4.350 -0.000 0.000 0.255 502 T C 0.640 175.339 174.700 -0.002 0.000 1.035 502 T CA 0.214 62.317 62.100 0.006 0.000 0.941 502 T CB -0.181 68.696 68.868 0.016 0.000 1.026 502 T HN 0.446 nan 8.240 nan 0.000 0.533 503 S N 0.815 116.512 115.700 -0.006 0.000 2.587 503 S HA 0.173 4.643 4.470 -0.000 0.000 0.260 503 S C 1.396 175.986 174.600 -0.017 0.000 1.353 503 S CA 0.166 58.363 58.200 -0.006 0.000 0.995 503 S CB 1.019 64.219 63.200 0.000 0.000 0.912 503 S HN 0.421 nan 8.310 nan 0.000 0.568 504 S N -1.253 114.440 115.700 -0.012 0.000 2.554 504 S HA 0.222 4.692 4.470 -0.000 0.000 0.227 504 S C 0.135 174.718 174.600 -0.028 0.000 1.050 504 S CA -0.201 57.983 58.200 -0.027 0.000 0.927 504 S CB -0.361 62.828 63.200 -0.018 0.000 0.859 504 S HN 0.778 nan 8.310 nan 0.000 0.494 505 E N 1.439 121.642 120.200 0.006 0.000 2.089 505 E HA 0.430 4.780 4.350 -0.000 0.000 0.284 505 E C -0.810 175.858 176.600 0.112 0.000 1.023 505 E CA -0.815 55.611 56.400 0.044 0.000 0.819 505 E CB -0.369 29.361 29.700 0.050 0.000 1.076 505 E HN 0.265 nan 8.360 nan 0.000 0.396 506 F N 3.694 123.610 119.950 -0.058 0.000 2.829 506 F HA -0.291 4.236 4.527 -0.000 0.000 0.237 506 F C -0.301 175.462 175.800 -0.063 0.000 1.017 506 F CA 0.486 58.450 58.000 -0.060 0.000 0.882 506 F CB -0.373 38.600 39.000 -0.045 0.000 0.795 506 F HN 0.474 nan 8.300 nan 0.000 0.848 507 N N 1.423 120.075 118.700 -0.080 0.000 2.521 507 N HA 0.112 4.852 4.740 -0.000 0.000 0.236 507 N C 1.193 176.616 175.510 -0.145 0.000 1.067 507 N CA 0.505 53.513 53.050 -0.070 0.000 0.939 507 N CB 0.891 39.325 38.487 -0.087 0.000 1.201 507 N HN 0.397 nan 8.380 nan 0.000 0.511 508 T N 0.553 115.065 114.554 -0.070 0.000 3.055 508 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 508 T C 1.434 176.043 174.700 -0.152 0.000 1.111 508 T CA 0.751 62.785 62.100 -0.109 0.000 1.118 508 T CB 0.101 68.973 68.868 0.007 0.000 0.909 508 T HN 0.378 nan 8.240 nan 0.000 0.501 509 Q N 1.851 121.573 119.800 -0.130 0.000 2.079 509 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 509 Q C 2.463 178.307 176.000 -0.260 0.000 0.974 509 Q CA 1.586 57.295 55.803 -0.156 0.000 0.840 509 Q CB -0.407 28.270 28.738 -0.102 0.000 0.898 509 Q HN 0.634 nan 8.270 nan 0.000 0.430 510 R N -0.725 119.619 120.500 -0.260 0.000 2.091 510 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 510 R C 1.966 177.969 176.300 -0.496 0.000 1.136 510 R CA 1.627 57.517 56.100 -0.350 0.000 0.959 510 R CB -0.309 29.844 30.300 -0.245 0.000 0.856 510 R HN 0.259 nan 8.270 nan 0.000 0.437 511 V N 1.396 121.031 119.914 -0.465 0.000 2.287 511 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 511 V C 2.018 177.792 176.094 -0.534 0.000 1.053 511 V CA 2.211 64.136 62.300 -0.625 0.000 1.027 511 V CB -0.488 31.041 31.823 -0.491 0.000 0.646 511 V HN 0.445 nan 8.190 nan 0.000 0.447 512 E N -1.068 118.908 120.200 -0.373 0.000 2.152 512 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 512 E C 2.230 178.611 176.600 -0.366 0.000 0.983 512 E CA 1.384 57.617 56.400 -0.279 0.000 0.818 512 E CB -0.246 29.346 29.700 -0.181 0.000 0.758 512 E HN 0.610 nan 8.360 nan 0.000 0.467 513 C N 0.561 119.505 119.300 -0.594 0.000 2.453 513 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 513 C C 2.539 176.945 174.990 -0.973 0.000 1.262 513 C CA 0.418 58.803 59.018 -1.055 0.000 1.718 513 C CB -0.819 25.790 27.740 -1.885 0.000 2.031 513 C HN 0.393 nan 8.230 nan 0.000 0.480 514 L N 0.626 121.353 121.223 -0.826 0.000 2.083 514 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 514 L C 2.580 179.385 176.870 -0.109 0.000 1.083 514 L CA 1.536 56.125 54.840 -0.419 0.000 0.752 514 L CB -0.706 41.116 42.059 -0.396 0.000 0.899 514 L HN 0.436 nan 8.230 nan 0.000 0.433 515 E N -0.113 119.996 120.200 -0.152 0.000 2.110 515 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 515 E C 2.107 178.722 176.600 0.025 0.000 0.988 515 E CA 1.010 57.421 56.400 0.018 0.000 0.804 515 E CB -0.179 29.520 29.700 -0.003 0.000 0.745 515 E HN 0.255 nan 8.360 nan 0.000 0.458 516 L N 1.742 122.954 121.223 -0.019 0.000 2.079 516 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 516 L C 1.456 178.397 176.870 0.119 0.000 1.081 516 L CA 1.849 56.720 54.840 0.051 0.000 0.752 516 L CB -0.351 41.750 42.059 0.070 0.000 0.896 516 L HN -0.009 nan 8.230 nan 0.000 0.433 517 D N -0.326 120.185 120.400 0.184 0.000 2.123 517 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 517 D C 1.805 178.176 176.300 0.118 0.000 0.992 517 D CA 1.323 55.437 54.000 0.191 0.000 0.833 517 D CB -0.258 40.698 40.800 0.261 0.000 0.954 517 D HN 0.459 nan 8.370 nan 0.000 0.455 518 N N 0.482 119.248 118.700 0.110 0.000 2.270 518 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 518 N C 2.175 177.722 175.510 0.061 0.000 1.016 518 N CA 0.207 53.308 53.050 0.085 0.000 0.870 518 N CB -0.222 38.320 38.487 0.091 0.000 0.979 518 N HN 0.260 nan 8.380 nan 0.000 0.431 519 L N 0.282 121.536 121.223 0.052 0.000 2.046 519 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 519 L C 2.452 179.329 176.870 0.010 0.000 1.077 519 L CA 1.027 55.880 54.840 0.022 0.000 0.747 519 L CB -0.299 41.764 42.059 0.008 0.000 0.896 519 L HN 0.126 nan 8.230 nan 0.000 0.432 520 M N -0.139 119.479 119.600 0.030 0.000 2.067 520 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 520 M C 2.170 178.492 176.300 0.037 0.000 1.069 520 M CA 1.784 57.098 55.300 0.024 0.000 1.117 520 M CB -0.355 32.261 32.600 0.026 0.000 1.334 520 M HN 0.058 nan 8.290 nan 0.000 0.407 521 E N -0.687 119.541 120.200 0.045 0.000 2.110 521 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 521 E C 2.047 178.668 176.600 0.035 0.000 0.988 521 E CA 1.937 58.373 56.400 0.061 0.000 0.804 521 E CB -0.797 28.944 29.700 0.068 0.000 0.745 521 E HN 0.571 nan 8.360 nan 0.000 0.458 522 T N 1.317 115.886 114.554 0.025 0.000 2.777 522 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 522 T C 2.006 176.692 174.700 -0.023 0.000 1.040 522 T CA 1.410 63.523 62.100 0.022 0.000 1.141 522 T CB -0.216 68.699 68.868 0.078 0.000 0.868 522 T HN 0.273 nan 8.240 nan 0.000 0.444 523 A N 0.585 123.371 122.820 -0.057 0.000 1.883 523 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 523 A C 2.121 179.594 177.584 -0.185 0.000 1.186 523 A CA 1.622 53.565 52.037 -0.157 0.000 0.624 523 A CB -1.050 17.865 19.000 -0.142 0.000 0.822 523 A HN 0.558 nan 8.150 nan 0.000 0.444 524 Y N 0.433 120.605 120.300 -0.213 0.000 2.133 524 Y HA -0.047 4.503 4.550 -0.000 0.000 0.287 524 Y C 2.744 178.424 175.900 -0.367 0.000 1.134 524 Y CA 1.233 59.197 58.100 -0.227 0.000 1.133 524 Y CB -0.655 37.724 38.460 -0.135 0.000 0.987 524 Y HN 0.309 nan 8.280 nan 0.000 0.502 525 A N -0.844 121.693 122.820 -0.472 0.000 1.917 525 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 525 A C 2.249 179.530 177.584 -0.505 0.000 1.182 525 A CA 2.473 54.001 52.037 -0.848 0.000 0.633 525 A CB -1.384 17.213 19.000 -0.672 0.000 0.819 525 A HN 0.518 nan 8.150 nan 0.000 0.448 526 T N -0.073 114.298 114.554 -0.305 0.000 2.777 526 T HA 0.026 4.375 4.350 -0.000 0.000 0.266 526 T C 2.226 176.707 174.700 -0.366 0.000 1.040 526 T CA 1.562 63.556 62.100 -0.176 0.000 1.141 526 T CB -0.397 68.468 68.868 -0.006 0.000 0.868 526 T HN 0.611 nan 8.240 nan 0.000 0.444 527 A N 0.836 123.272 122.820 -0.640 0.000 1.898 527 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 527 A C 2.551 179.952 177.584 -0.305 0.000 1.181 527 A CA 1.181 52.720 52.037 -0.830 0.000 0.620 527 A CB -0.913 17.577 19.000 -0.852 0.000 0.819 527 A HN 0.351 nan 8.150 nan 0.000 0.442 528 V N 0.080 119.757 119.914 -0.395 0.000 2.407 528 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 528 V C 2.759 178.829 176.094 -0.040 0.000 1.055 528 V CA 2.279 64.444 62.300 -0.226 0.000 1.049 528 V CB -0.749 30.898 31.823 -0.294 0.000 0.662 528 V HN 0.557 nan 8.190 nan 0.000 0.455 529 S N 0.412 116.066 115.700 -0.077 0.000 2.368 529 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 529 S C 2.221 176.865 174.600 0.073 0.000 1.029 529 S CA 1.350 59.579 58.200 0.049 0.000 0.988 529 S CB -0.452 62.748 63.200 -0.000 0.000 0.838 529 S HN 0.645 nan 8.310 nan 0.000 0.462 530 A N 2.478 125.333 122.820 0.059 0.000 1.930 530 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 530 A C 1.956 179.689 177.584 0.248 0.000 1.175 530 A CA 1.160 53.293 52.037 0.161 0.000 0.627 530 A CB -0.612 18.638 19.000 0.417 0.000 0.815 530 A HN 0.445 nan 8.150 nan 0.000 0.443 531 N N -1.171 117.683 118.700 0.257 0.000 2.166 531 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 531 N C 1.523 177.145 175.510 0.186 0.000 1.019 531 N CA 1.571 54.757 53.050 0.227 0.000 0.856 531 N CB -0.330 38.286 38.487 0.216 0.000 0.993 531 N HN 0.535 nan 8.380 nan 0.000 0.426 532 F N 2.012 121.970 119.950 0.013 0.000 2.113 532 F HA -0.000 4.527 4.527 -0.000 0.000 0.297 532 F C 1.281 176.970 175.800 -0.184 0.000 1.103 532 F CA 0.797 58.806 58.000 0.014 0.000 1.248 532 F CB -0.213 38.831 39.000 0.074 0.000 0.999 532 F HN -0.218 nan 8.300 nan 0.000 0.475 533 R N 1.582 121.803 120.500 -0.466 0.000 2.387 533 R HA 0.068 4.408 4.340 -0.000 0.000 0.321 533 R C -0.435 175.293 176.300 -0.954 0.000 1.174 533 R CA 0.489 55.875 56.100 -1.189 0.000 1.002 533 R CB -0.505 29.265 30.300 -0.882 0.000 1.028 533 R HN 0.285 nan 8.270 nan 0.000 0.482 534 T N 1.721 115.470 114.554 -1.341 0.000 4.098 534 T HA 0.200 4.550 4.350 -0.000 0.000 0.291 534 T C -0.267 173.844 174.700 -0.982 0.000 1.440 534 T CA -0.547 60.862 62.100 -1.152 0.000 1.164 534 T CB -0.346 67.703 68.868 -1.366 0.000 1.313 534 T HN 0.769 nan 8.240 nan 0.000 0.951 535 E N -0.551 119.308 120.200 -0.569 0.000 2.435 535 E HA 0.585 4.935 4.350 -0.000 0.000 0.277 535 E C -1.596 174.959 176.600 -0.076 0.000 1.106 535 E CA -1.217 55.054 56.400 -0.216 0.000 0.868 535 E CB 0.549 30.092 29.700 -0.261 0.000 1.454 535 E HN 0.044 nan 8.360 nan 0.000 0.452 536 S N -0.082 115.619 115.700 0.003 0.000 2.473 536 S HA 0.679 5.149 4.470 -0.000 0.000 0.307 536 S C -1.012 173.626 174.600 0.063 0.000 1.094 536 S CA -0.751 57.447 58.200 -0.003 0.000 1.070 536 S CB 1.043 64.239 63.200 -0.007 0.000 1.019 536 S HN 0.484 nan 8.310 nan 0.000 0.480 537 R N 1.739 122.298 120.500 0.099 0.000 2.522 537 R HA 0.512 4.852 4.340 -0.000 0.000 0.273 537 R C 0.625 177.000 176.300 0.125 0.000 1.133 537 R CA 0.298 56.468 56.100 0.117 0.000 0.969 537 R CB 0.770 31.143 30.300 0.121 0.000 1.235 537 R HN 0.902 nan 8.270 nan 0.000 0.433 538 G N 2.469 111.336 108.800 0.112 0.000 2.672 538 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.324 538 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.324 538 G C 0.814 175.774 174.900 0.100 0.000 1.286 538 G CA 0.782 45.946 45.100 0.106 0.000 1.004 538 G HN 0.940 nan 8.290 nan 0.000 0.548 539 A N -0.571 122.324 122.820 0.125 0.000 2.172 539 A HA 0.246 4.566 4.320 -0.000 0.000 0.216 539 A C 1.224 178.909 177.584 0.167 0.000 1.154 539 A CA 2.030 54.154 52.037 0.144 0.000 0.701 539 A CB -0.341 18.784 19.000 0.208 0.000 0.789 539 A HN 1.392 nan 8.150 nan 0.000 0.465 540 H N 0.183 119.289 119.070 0.061 0.000 2.761 540 H HA 0.568 5.124 4.556 -0.000 0.000 0.284 540 H C -0.681 174.643 175.328 -0.007 0.000 1.105 540 H CA 0.017 56.092 56.048 0.045 0.000 1.352 540 H CB 0.440 30.224 29.762 0.037 0.000 1.423 540 H HN 0.043 nan 8.280 nan 0.000 0.464 541 S N 5.612 121.101 115.700 -0.352 0.000 2.659 541 S HA 0.525 4.995 4.470 -0.000 0.000 0.312 541 S C -0.882 173.490 174.600 -0.380 0.000 1.114 541 S CA -0.840 57.179 58.200 -0.302 0.000 1.063 541 S CB 0.227 63.294 63.200 -0.222 0.000 0.996 541 S HN 0.768 nan 8.310 nan 0.000 0.478 542 R N 3.274 123.573 120.500 -0.334 0.000 2.534 542 R HA 0.402 4.742 4.340 -0.000 0.000 0.301 542 R C -0.041 176.154 176.300 -0.175 0.000 0.961 542 R CA -0.625 55.317 56.100 -0.263 0.000 0.871 542 R CB 0.854 31.090 30.300 -0.106 0.000 1.170 542 R HN 0.563 nan 8.270 nan 0.000 0.446 543 F N 1.433 121.388 119.950 0.009 0.000 2.171 543 F HA -0.196 4.331 4.527 0.000 0.000 0.300 543 F C 2.136 177.891 175.800 -0.075 0.000 1.090 543 F CA 1.454 59.430 58.000 -0.041 0.000 1.293 543 F CB -0.168 38.786 39.000 -0.077 0.000 1.013 543 F HN 0.595 nan 8.300 nan 0.000 0.486 544 D N -1.050 119.398 120.400 0.080 0.000 2.312 544 D HA -0.167 4.473 4.640 -0.000 0.000 0.211 544 D C 0.144 176.152 176.300 -0.487 0.000 0.964 544 D CA 0.799 54.688 54.000 -0.184 0.000 0.877 544 D CB -0.695 39.994 40.800 -0.186 0.000 0.924 544 D HN 0.272 nan 8.370 nan 0.000 0.515 545 F N 0.376 120.331 119.950 0.008 0.000 2.710 545 F HA 0.298 4.825 4.527 -0.000 0.000 0.345 545 F C -1.840 173.950 175.800 -0.017 0.000 1.362 545 F CA -1.884 56.114 58.000 -0.003 0.000 1.175 545 F CB 2.028 41.010 39.000 -0.030 0.000 1.561 545 F HN -0.213 nan 8.300 nan 0.000 0.593 546 P HA -0.032 nan 4.420 nan 0.000 0.233 546 P C -0.284 177.072 177.300 0.093 0.000 1.167 546 P CA 0.900 64.054 63.100 0.089 0.000 0.770 546 P CB 0.476 32.231 31.700 0.091 0.000 0.837 547 D N 0.333 120.801 120.400 0.114 0.000 2.229 547 D HA 0.194 4.834 4.640 -0.000 0.000 0.249 547 D C 0.212 176.576 176.300 0.107 0.000 1.027 547 D CA -0.523 53.540 54.000 0.105 0.000 0.923 547 D CB 1.515 42.378 40.800 0.106 0.000 1.174 547 D HN -0.110 nan 8.370 nan 0.000 0.443 548 R N 0.970 121.529 120.500 0.099 0.000 2.438 548 R HA 0.087 4.427 4.340 -0.000 0.000 0.287 548 R C -0.721 175.651 176.300 0.121 0.000 1.077 548 R CA -0.182 55.982 56.100 0.107 0.000 1.034 548 R CB 0.491 30.854 30.300 0.105 0.000 0.993 548 R HN 0.265 nan 8.270 nan 0.000 0.459 549 D N 3.113 123.608 120.400 0.158 0.000 2.432 549 D HA 0.108 4.748 4.640 -0.000 0.000 0.265 549 D C -0.376 176.028 176.300 0.172 0.000 1.160 549 D CA -0.456 53.655 54.000 0.186 0.000 0.911 549 D CB 1.008 41.982 40.800 0.290 0.000 1.052 549 D HN 0.447 nan 8.370 nan 0.000 0.508 550 D N 1.869 122.328 120.400 0.098 0.000 2.224 550 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 550 D C 1.425 177.741 176.300 0.026 0.000 0.965 550 D CA 0.698 54.735 54.000 0.062 0.000 0.852 550 D CB 0.437 41.249 40.800 0.020 0.000 0.947 550 D HN 0.604 nan 8.370 nan 0.000 0.494 551 E N 0.138 120.347 120.200 0.016 0.000 2.072 551 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 551 E C 1.396 177.939 176.600 -0.094 0.000 0.985 551 E CA 0.650 57.033 56.400 -0.028 0.000 0.801 551 E CB 0.155 29.845 29.700 -0.018 0.000 0.750 551 E HN 0.248 nan 8.360 nan 0.000 0.452 552 N N -1.344 117.275 118.700 -0.135 0.000 2.368 552 N HA -0.009 4.731 4.740 -0.000 0.000 0.178 552 N C 0.549 175.668 175.510 -0.652 0.000 1.076 552 N CA 0.513 53.304 53.050 -0.431 0.000 0.889 552 N CB 0.275 38.431 38.487 -0.551 0.000 1.040 552 N HN 0.218 nan 8.380 nan 0.000 0.463 553 W N 0.469 121.737 121.300 -0.053 0.000 2.499 553 W HA 0.375 5.035 4.660 -0.000 0.000 0.362 553 W C -0.066 176.430 176.519 -0.037 0.000 0.945 553 W CA -0.576 56.733 57.345 -0.060 0.000 1.721 553 W CB 0.327 29.743 29.460 -0.072 0.000 1.156 553 W HN -0.166 nan 8.180 nan 0.000 0.547 554 L N 3.666 124.958 121.223 0.115 0.000 2.382 554 L HA 0.292 4.632 4.340 -0.000 0.000 0.259 554 L C 0.205 177.079 176.870 0.007 0.000 1.291 554 L CA -0.063 54.816 54.840 0.065 0.000 1.176 554 L CB -1.258 40.822 42.059 0.035 0.000 1.373 554 L HN 0.176 nan 8.230 nan 0.000 0.426 555 C N -0.010 119.291 119.300 0.003 0.000 3.216 555 C HA 0.424 4.884 4.460 -0.000 0.000 0.346 555 C C -0.508 174.435 174.990 -0.080 0.000 1.384 555 C CA -1.187 57.790 59.018 -0.067 0.000 1.208 555 C CB 1.164 28.909 27.740 0.008 0.000 1.483 555 C HN 0.518 nan 8.230 nan 0.000 0.453 556 H N 1.287 120.433 119.070 0.127 0.000 2.481 556 H HA 0.615 5.171 4.556 -0.000 0.000 0.339 556 H C 0.473 175.916 175.328 0.192 0.000 1.131 556 H CA 0.793 56.917 56.048 0.126 0.000 1.301 556 H CB 1.898 31.703 29.762 0.072 0.000 1.476 556 H HN 0.955 nan 8.280 nan 0.000 0.529 557 S N 2.456 118.356 115.700 0.333 0.000 2.554 557 S HA 0.433 4.903 4.470 -0.000 0.000 0.278 557 S C -0.359 174.371 174.600 0.216 0.000 1.242 557 S CA -0.829 57.589 58.200 0.362 0.000 1.051 557 S CB 1.067 64.491 63.200 0.373 0.000 0.986 557 S HN 0.373 nan 8.310 nan 0.000 0.502 558 L N 3.284 124.597 121.223 0.150 0.000 2.406 558 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 558 L C -1.414 175.472 176.870 0.026 0.000 0.980 558 L CA -0.759 54.123 54.840 0.069 0.000 0.831 558 L CB 1.707 43.788 42.059 0.037 0.000 1.253 558 L HN 0.864 nan 8.230 nan 0.000 0.406 559 Y N 5.567 125.824 120.300 -0.072 0.000 2.350 559 Y HA 0.556 5.106 4.550 -0.000 0.000 0.340 559 Y C -0.986 174.873 175.900 -0.068 0.000 1.006 559 Y CA -0.559 57.485 58.100 -0.093 0.000 1.166 559 Y CB 0.738 39.156 38.460 -0.071 0.000 1.168 559 Y HN 0.503 nan 8.280 nan 0.000 0.502 560 L N 10.122 130.980 121.223 -0.608 0.000 2.259 560 L HA 0.307 4.647 4.340 -0.000 0.000 0.288 560 L C -1.572 174.901 176.870 -0.662 0.000 1.051 560 L CA -1.806 52.748 54.840 -0.477 0.000 0.824 560 L CB 1.154 43.041 42.059 -0.287 0.000 1.206 560 L HN 0.583 nan 8.230 nan 0.000 0.429 561 P HA -0.126 nan 4.420 nan 0.000 0.218 561 P C 0.916 178.112 177.300 -0.174 0.000 1.149 561 P CA 1.142 64.055 63.100 -0.312 0.000 0.817 561 P CB 0.447 32.112 31.700 -0.058 0.000 0.785 562 E N 0.055 120.167 120.200 -0.147 0.000 2.107 562 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 562 E C 1.801 178.349 176.600 -0.087 0.000 0.982 562 E CA 1.548 57.894 56.400 -0.090 0.000 0.809 562 E CB -0.246 29.410 29.700 -0.073 0.000 0.756 562 E HN 0.342 nan 8.360 nan 0.000 0.459 563 S N -0.097 115.528 115.700 -0.125 0.000 2.556 563 S HA 0.084 4.554 4.470 -0.000 0.000 0.216 563 S C 0.243 174.790 174.600 -0.089 0.000 0.970 563 S CA -0.231 57.914 58.200 -0.093 0.000 0.912 563 S CB 0.101 63.245 63.200 -0.093 0.000 0.790 563 S HN 0.157 nan 8.310 nan 0.000 0.504 564 E N 1.587 121.690 120.200 -0.161 0.000 2.328 564 E HA -0.188 4.162 4.350 -0.000 0.000 0.233 564 E C -0.151 176.410 176.600 -0.065 0.000 1.219 564 E CA 0.611 56.954 56.400 -0.095 0.000 0.717 564 E CB -1.894 27.926 29.700 0.201 0.000 1.210 564 E HN 0.825 nan 8.360 nan 0.000 0.381 565 S N -1.279 114.288 115.700 -0.222 0.000 2.709 565 S HA 0.803 5.273 4.470 -0.000 0.000 0.302 565 S C -0.154 174.289 174.600 -0.262 0.000 1.127 565 S CA -1.233 56.871 58.200 -0.160 0.000 0.905 565 S CB 2.065 65.196 63.200 -0.115 0.000 1.151 565 S HN 0.074 nan 8.310 nan 0.000 0.510 566 M N 1.342 120.731 119.600 -0.352 0.000 2.578 566 M HA 0.682 5.162 4.480 -0.000 0.000 0.321 566 M C -0.007 175.988 176.300 -0.508 0.000 1.182 566 M CA -0.235 54.695 55.300 -0.617 0.000 0.965 566 M CB 1.542 33.252 32.600 -1.483 0.000 1.694 566 M HN 1.027 nan 8.290 nan 0.000 0.461 567 T N 1.007 115.364 114.554 -0.327 0.000 2.754 567 T HA 0.675 5.025 4.350 -0.000 0.000 0.296 567 T C -1.260 173.520 174.700 0.135 0.000 1.205 567 T CA -0.691 61.376 62.100 -0.055 0.000 1.009 567 T CB 1.921 70.765 68.868 -0.040 0.000 1.368 567 T HN 0.701 nan 8.240 nan 0.000 0.509 568 R N 0.796 121.394 120.500 0.164 0.000 2.778 568 R HA 0.717 5.057 4.340 -0.000 0.000 0.277 568 R C -0.534 175.834 176.300 0.113 0.000 0.977 568 R CA -0.924 55.285 56.100 0.183 0.000 0.950 568 R CB 1.766 32.134 30.300 0.113 0.000 1.165 568 R HN 0.406 nan 8.270 nan 0.000 0.474 569 R N 0.387 120.976 120.500 0.148 0.000 2.621 569 R HA 0.319 4.659 4.340 -0.000 0.000 0.292 569 R C -0.654 175.736 176.300 0.151 0.000 0.969 569 R CA -0.526 55.656 56.100 0.136 0.000 0.887 569 R CB 2.327 32.718 30.300 0.152 0.000 1.180 569 R HN 0.607 nan 8.270 nan 0.000 0.450 570 S N 1.261 117.021 115.700 0.100 0.000 2.558 570 S HA 0.011 4.481 4.470 -0.000 0.000 0.291 570 S C 0.114 174.792 174.600 0.130 0.000 1.306 570 S CA -0.321 57.924 58.200 0.075 0.000 1.056 570 S CB 0.648 63.879 63.200 0.052 0.000 0.836 570 S HN 0.248 nan 8.310 nan 0.000 0.504 571 V N 4.589 124.517 119.914 0.024 0.000 2.546 571 V HA 0.161 4.281 4.120 -0.000 0.000 0.284 571 V C 0.778 176.921 176.094 0.081 0.000 1.050 571 V CA -0.802 61.508 62.300 0.018 0.000 0.981 571 V CB 1.102 32.864 31.823 -0.101 0.000 0.990 571 V HN 0.816 nan 8.190 nan 0.000 0.474 572 N N 5.287 124.060 118.700 0.122 0.000 2.470 572 N HA 0.222 4.962 4.740 -0.000 0.000 0.268 572 N C -0.277 175.290 175.510 0.095 0.000 1.136 572 N CA 0.011 53.116 53.050 0.092 0.000 0.961 572 N CB 0.859 39.397 38.487 0.085 0.000 1.067 572 N HN 0.649 nan 8.380 nan 0.000 0.468 573 M N 2.901 122.549 119.600 0.079 0.000 3.004 573 M HA 0.191 4.671 4.480 -0.000 0.000 0.365 573 M C -0.841 175.500 176.300 0.068 0.000 1.317 573 M CA -0.053 55.300 55.300 0.088 0.000 0.821 573 M CB 0.380 33.028 32.600 0.080 0.000 1.387 573 M HN 0.384 nan 8.290 nan 0.000 0.501 574 E N 1.925 122.166 120.200 0.068 0.000 3.108 574 E HA 0.285 4.635 4.350 -0.000 0.000 0.228 574 E C -2.476 174.165 176.600 0.069 0.000 1.176 574 E CA -1.600 54.832 56.400 0.054 0.000 0.881 574 E CB 1.489 31.213 29.700 0.040 0.000 1.354 574 E HN 0.131 nan 8.360 nan 0.000 0.400 575 P HA -0.004 nan 4.420 nan 0.000 0.270 575 P C 0.447 177.802 177.300 0.091 0.000 1.223 575 P CA -0.265 62.903 63.100 0.112 0.000 0.785 575 P CB 1.080 32.860 31.700 0.134 0.000 0.923 576 K N 0.863 121.327 120.400 0.108 0.000 2.308 576 K HA 0.178 4.498 4.320 -0.000 0.000 0.197 576 K C 1.542 178.203 176.600 0.102 0.000 1.049 576 K CA 0.932 57.272 56.287 0.088 0.000 0.991 576 K CB -0.101 32.446 32.500 0.079 0.000 0.836 576 K HN 0.399 nan 8.250 nan 0.000 0.500 577 L N 0.791 122.110 121.223 0.159 0.000 2.616 577 L HA 0.177 4.517 4.340 -0.000 0.000 0.229 577 L C 0.608 177.593 176.870 0.192 0.000 1.110 577 L CA -0.167 54.795 54.840 0.203 0.000 0.884 577 L CB 0.171 42.414 42.059 0.308 0.000 1.115 577 L HN 0.085 nan 8.230 nan 0.000 0.481 578 R N -1.624 118.954 120.500 0.131 0.000 2.728 578 R HA 0.537 4.877 4.340 -0.000 0.000 0.274 578 R C -3.158 173.112 176.300 -0.052 0.000 1.030 578 R CA -1.496 54.617 56.100 0.023 0.000 0.876 578 R CB 0.223 30.516 30.300 -0.011 0.000 1.259 578 R HN -0.359 nan 8.270 nan 0.000 0.468 579 P HA 0.213 nan 4.420 nan 0.000 0.274 579 P C -0.609 176.524 177.300 -0.278 0.000 1.231 579 P CA -0.402 62.599 63.100 -0.166 0.000 0.790 579 P CB 0.847 32.446 31.700 -0.169 0.000 0.951 580 A N 1.802 124.528 122.820 -0.156 0.000 2.507 580 A HA 0.187 4.507 4.320 -0.000 0.000 0.235 580 A C -0.399 177.064 177.584 -0.203 0.000 1.070 580 A CA 0.241 52.214 52.037 -0.107 0.000 0.768 580 A CB -0.736 18.269 19.000 0.009 0.000 1.011 580 A HN 0.397 nan 8.150 nan 0.000 0.502 581 F N 2.815 122.841 119.950 0.128 0.000 2.404 581 F HA 0.358 4.885 4.527 -0.000 0.000 0.358 581 F C -1.536 174.349 175.800 0.141 0.000 1.120 581 F CA -1.994 56.102 58.000 0.160 0.000 1.144 581 F CB 1.068 40.215 39.000 0.244 0.000 1.133 581 F HN 0.356 nan 8.300 nan 0.000 0.495 582 P HA 0.167 nan 4.420 nan 0.000 0.275 582 P C -2.688 174.530 177.300 -0.138 0.000 1.228 582 P CA -1.555 61.574 63.100 0.047 0.000 0.786 582 P CB 0.189 31.895 31.700 0.009 0.000 0.927 583 P HA 0.073 nan 4.420 nan 0.000 0.264 583 P C -0.078 176.851 177.300 -0.620 0.000 1.193 583 P CA 0.563 63.109 63.100 -0.922 0.000 0.763 583 P CB 0.216 31.648 31.700 -0.447 0.000 0.810 584 K N 1.946 121.910 120.400 -0.726 0.000 2.430 584 K HA 0.551 4.871 4.320 -0.000 0.000 0.268 584 K C -0.641 175.889 176.600 -0.116 0.000 1.043 584 K CA -1.114 55.025 56.287 -0.246 0.000 0.899 584 K CB 1.004 33.450 32.500 -0.089 0.000 1.472 584 K HN 0.091 nan 8.250 nan 0.000 0.451 585 I N 1.451 122.005 120.570 -0.027 0.000 2.692 585 I HA 0.061 4.231 4.170 -0.000 0.000 0.284 585 I C 0.442 176.586 176.117 0.046 0.000 1.159 585 I CA -0.067 61.245 61.300 0.019 0.000 1.423 585 I CB 0.444 38.455 38.000 0.018 0.000 1.380 585 I HN 0.484 nan 8.210 nan 0.000 0.580 586 R N 5.245 125.780 120.500 0.058 0.000 2.272 586 R HA 0.399 4.739 4.340 -0.000 0.000 0.323 586 R C -0.956 175.301 176.300 -0.071 0.000 1.002 586 R CA -0.315 55.786 56.100 0.001 0.000 0.900 586 R CB 0.845 31.184 30.300 0.065 0.000 1.151 586 R HN 0.822 nan 8.270 nan 0.000 0.507 587 T N 0.452 114.912 114.554 -0.157 0.000 2.900 587 T HA 0.439 4.789 4.350 -0.000 0.000 0.295 587 T C -0.853 173.699 174.700 -0.247 0.000 1.044 587 T CA -0.607 61.428 62.100 -0.109 0.000 0.995 587 T CB 1.255 70.124 68.868 0.002 0.000 1.072 587 T HN 0.334 nan 8.240 nan 0.000 0.473 588 Y N 0.000 120.338 120.300 0.064 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.131 58.100 0.052 0.000 1.940 588 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758