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 2zxr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRDRVRWRVL SLPPLAQWRE VMAALEVGPE AALAYWHRGF RRKEDLDPPL DATA SEQUENCE ALLPLKGLRE AAALLEEALR QGKRIRVHGD YDADGLTGTA ILVRGLAALG DATA SEQUENCE ADVHPFIPXX XXXXXXXXXX XXXXXXXXSD LFLTVDCXXX XXXXXXXXXX DATA SEQUENCE XGVEVIVTDH HTXXXXXXXX LVVHPALTPD LKEKPTGAGV AFLLLWALHE DATA SEQUENCE RLGLPPPLEY ADLAAVGTIA DVAPLWGWNR ALVKEGLARI PASSWVGLRL DATA SEQUENCE LAEAVGYTGK AVEVAFRIAP RINAASRLGE AEKALRLLLT DDAAEAQALV DATA SEQUENCE GELHRLNARR QTLEEAMLRK LLPQADPEAK AIVLLDPEGH PGVMGIVASR DATA SEQUENCE ILEATLRPVF LVAQGKGTVR SLAPISAVEA LRSAEDLLLR YGGHKEAAGF DATA SEQUENCE AMDEALFPAF KARVEAYAAR FPDPVREVAL LDLLPEPGLL PQVFRELALL DATA SEQUENCE EPYGEGNPEP LFLLFGAPEE ARRLGEGRHL AFRLKGVRVL AWKQGDLALP DATA SEQUENCE PEVEVAGLLS ENAWNGHLAY EVQAVDLRKP EALEGGIAPF AYPLPLLEAL DATA SEQUENCE ARARLGEGVY VPEDNPEGLD YAWKAGFRLL PPEEAGLWLG LPPRPVLGRR DATA SEQUENCE VEVALGREAR ARLSAPPVLH TPEARLKALV HRRLLFAYER RHPGLFSEAL DATA SEQUENCE LAYWEVNR 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 0.000 176.341 176.300 0.068 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.630 32.600 0.051 0.000 1.302 2 R N -0.486 120.055 120.500 0.068 0.000 2.612 2 R HA 0.296 4.636 4.340 -0.000 0.000 0.260 2 R C 0.776 177.119 176.300 0.072 0.000 0.943 2 R CA 0.713 56.863 56.100 0.084 0.000 1.036 2 R CB -0.667 29.681 30.300 0.080 0.000 1.520 2 R HN 0.306 nan 8.270 nan 0.000 0.563 3 D N 1.211 121.643 120.400 0.053 0.000 2.340 3 D HA 0.071 4.711 4.640 -0.000 0.000 0.220 3 D C 0.308 176.635 176.300 0.046 0.000 1.039 3 D CA 0.258 54.281 54.000 0.039 0.000 0.866 3 D CB 0.409 41.227 40.800 0.029 0.000 0.913 3 D HN 0.210 nan 8.370 nan 0.000 0.523 4 R N 0.106 120.643 120.500 0.061 0.000 2.652 4 R HA 0.231 4.571 4.340 -0.000 0.000 0.372 4 R C -0.576 175.777 176.300 0.087 0.000 1.104 4 R CA -0.191 55.948 56.100 0.065 0.000 1.072 4 R CB 1.677 32.012 30.300 0.058 0.000 1.367 4 R HN -0.071 nan 8.270 nan 0.000 0.577 5 V N 1.910 121.891 119.914 0.111 0.000 2.347 5 V HA 0.346 4.466 4.120 -0.000 0.000 0.280 5 V C -0.143 176.080 176.094 0.215 0.000 1.021 5 V CA -0.795 61.607 62.300 0.171 0.000 0.847 5 V CB 1.450 33.409 31.823 0.226 0.000 0.990 5 V HN 0.125 nan 8.190 nan 0.000 0.444 6 R N 3.538 124.172 120.500 0.223 0.000 2.346 6 R HA 0.513 4.853 4.340 -0.000 0.000 0.311 6 R C -1.172 175.372 176.300 0.407 0.000 0.983 6 R CA -0.518 55.727 56.100 0.242 0.000 0.880 6 R CB 0.903 31.296 30.300 0.154 0.000 1.100 6 R HN 0.579 nan 8.270 nan 0.000 0.453 7 W N 2.884 124.217 121.300 0.055 0.000 2.390 7 W HA 0.518 5.178 4.660 -0.000 0.000 0.312 7 W C 0.457 177.003 176.519 0.045 0.000 1.123 7 W CA -0.663 56.712 57.345 0.050 0.000 1.202 7 W CB 0.738 30.239 29.460 0.068 0.000 1.251 7 W HN 0.310 nan 8.180 nan 0.000 0.511 8 R N 1.961 122.587 120.500 0.210 0.000 2.686 8 R HA 0.701 5.041 4.340 -0.000 0.000 0.283 8 R C -1.775 174.557 176.300 0.053 0.000 0.978 8 R CA -0.639 55.533 56.100 0.120 0.000 0.897 8 R CB 1.789 32.133 30.300 0.073 0.000 1.192 8 R HN 0.276 nan 8.270 nan 0.000 0.457 9 V N 5.811 125.749 119.914 0.039 0.000 2.383 9 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 9 V C 0.587 176.665 176.094 -0.026 0.000 1.036 9 V CA -0.791 61.505 62.300 -0.006 0.000 0.889 9 V CB 1.288 33.109 31.823 -0.003 0.000 0.985 9 V HN 0.676 nan 8.190 nan 0.000 0.459 10 L N 4.200 125.375 121.223 -0.080 0.000 2.514 10 L HA 0.136 4.476 4.340 -0.000 0.000 0.280 10 L C 1.153 178.041 176.870 0.030 0.000 1.223 10 L CA 0.223 54.993 54.840 -0.116 0.000 0.864 10 L CB 0.497 42.349 42.059 -0.346 0.000 1.118 10 L HN 0.887 nan 8.230 nan 0.000 0.494 11 S N 3.361 119.128 115.700 0.111 0.000 2.573 11 S HA 0.296 4.766 4.470 -0.000 0.000 0.277 11 S C -0.211 174.393 174.600 0.007 0.000 1.346 11 S CA -0.805 57.457 58.200 0.103 0.000 1.034 11 S CB 0.605 63.895 63.200 0.150 0.000 0.879 11 S HN 0.425 nan 8.310 nan 0.000 0.528 12 L N 3.240 124.393 121.223 -0.118 0.000 2.349 12 L HA 0.423 4.763 4.340 -0.000 0.000 0.275 12 L C -1.614 174.929 176.870 -0.545 0.000 1.115 12 L CA -1.969 52.653 54.840 -0.363 0.000 0.820 12 L CB 0.506 42.490 42.059 -0.124 0.000 1.135 12 L HN 0.602 nan 8.230 nan 0.000 0.445 13 P HA 0.287 nan 4.420 nan 0.000 0.277 13 P C -2.711 174.214 177.300 -0.626 0.000 1.271 13 P CA -1.793 60.477 63.100 -1.383 0.000 0.795 13 P CB -0.081 30.064 31.700 -2.592 0.000 1.101 14 P HA 0.108 nan 4.420 nan 0.000 0.271 14 P C 1.550 178.837 177.300 -0.022 0.000 1.220 14 P CA -0.013 63.016 63.100 -0.119 0.000 0.768 14 P CB 0.658 32.336 31.700 -0.036 0.000 0.848 15 L N 2.676 123.951 121.223 0.087 0.000 2.021 15 L HA -0.292 4.048 4.340 -0.000 0.000 0.215 15 L C 2.407 179.330 176.870 0.088 0.000 1.074 15 L CA 2.598 57.515 54.840 0.129 0.000 0.760 15 L CB -1.307 40.790 42.059 0.063 0.000 0.889 15 L HN 0.415 nan 8.230 nan 0.000 0.433 16 A N -0.604 122.251 122.820 0.059 0.000 1.933 16 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 16 A C 2.163 179.797 177.584 0.084 0.000 1.175 16 A CA 1.545 53.616 52.037 0.057 0.000 0.628 16 A CB -0.375 18.654 19.000 0.049 0.000 0.814 16 A HN 0.561 nan 8.150 nan 0.000 0.444 17 Q N -2.140 117.712 119.800 0.087 0.000 2.137 17 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 17 Q C 1.984 178.076 176.000 0.154 0.000 0.960 17 Q CA 0.934 56.815 55.803 0.131 0.000 0.847 17 Q CB -0.201 28.645 28.738 0.180 0.000 0.915 17 Q HN 0.869 nan 8.270 nan 0.000 0.448 18 W N 2.315 123.519 121.300 -0.160 0.000 2.335 18 W HA -0.120 4.540 4.660 0.000 0.000 0.311 18 W C 1.850 178.350 176.519 -0.032 0.000 1.213 18 W CA 1.335 58.590 57.345 -0.150 0.000 1.274 18 W CB -0.241 29.101 29.460 -0.196 0.000 1.148 18 W HN 0.042 nan 8.180 nan 0.000 0.498 19 R N -0.054 120.549 120.500 0.172 0.000 2.081 19 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 19 R C 2.174 178.529 176.300 0.091 0.000 1.131 19 R CA 1.968 58.103 56.100 0.059 0.000 0.960 19 R CB -0.525 29.779 30.300 0.007 0.000 0.856 19 R HN 0.221 nan 8.270 nan 0.000 0.436 20 E N -0.202 120.067 120.200 0.115 0.000 2.077 20 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 20 E C 1.972 178.650 176.600 0.129 0.000 0.989 20 E CA 1.481 57.945 56.400 0.108 0.000 0.800 20 E CB 0.012 29.781 29.700 0.115 0.000 0.746 20 E HN 0.111 nan 8.360 nan 0.000 0.452 21 V N 1.153 121.182 119.914 0.192 0.000 2.358 21 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 21 V C 2.286 178.485 176.094 0.175 0.000 1.047 21 V CA 1.614 64.041 62.300 0.210 0.000 1.035 21 V CB -0.382 31.634 31.823 0.321 0.000 0.658 21 V HN 0.321 nan 8.190 nan 0.000 0.452 22 M N -0.293 119.421 119.600 0.189 0.000 2.149 22 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 22 M C 2.309 178.654 176.300 0.076 0.000 1.064 22 M CA 2.158 57.541 55.300 0.137 0.000 1.102 22 M CB -0.510 32.143 32.600 0.089 0.000 1.369 22 M HN 0.442 nan 8.290 nan 0.000 0.408 23 A N 0.013 122.870 122.820 0.062 0.000 1.872 23 A HA 0.090 4.410 4.320 -0.000 0.000 0.214 23 A C 2.259 179.862 177.584 0.031 0.000 1.187 23 A CA 1.532 53.592 52.037 0.037 0.000 0.614 23 A CB -0.785 18.234 19.000 0.032 0.000 0.826 23 A HN 0.475 nan 8.150 nan 0.000 0.442 24 A N -1.045 121.799 122.820 0.040 0.000 2.168 24 A HA 0.282 4.602 4.320 -0.000 0.000 0.215 24 A C 1.709 179.292 177.584 -0.002 0.000 1.152 24 A CA 1.003 53.054 52.037 0.024 0.000 0.716 24 A CB -0.314 18.709 19.000 0.037 0.000 0.794 24 A HN 0.440 nan 8.150 nan 0.000 0.465 25 L N -1.655 119.562 121.223 -0.010 0.000 2.858 25 L HA 0.184 4.524 4.340 -0.000 0.000 0.251 25 L C -0.322 176.526 176.870 -0.038 0.000 1.149 25 L CA -0.008 54.788 54.840 -0.073 0.000 0.955 25 L CB -0.070 41.877 42.059 -0.186 0.000 1.289 25 L HN 0.395 nan 8.230 nan 0.000 0.542 26 E N 1.035 121.237 120.200 0.004 0.000 2.246 26 E HA -0.165 4.185 4.350 -0.000 0.000 0.211 26 E C -0.518 176.104 176.600 0.037 0.000 1.278 26 E CA 0.377 56.787 56.400 0.016 0.000 0.694 26 E CB -1.622 28.080 29.700 0.003 0.000 1.166 26 E HN 0.360 nan 8.360 nan 0.000 0.370 27 V N -3.486 116.471 119.914 0.071 0.000 3.159 27 V HA 0.876 4.996 4.120 -0.000 0.000 0.308 27 V C 0.887 177.050 176.094 0.115 0.000 1.190 27 V CA -0.468 61.899 62.300 0.111 0.000 1.037 27 V CB 2.024 33.969 31.823 0.203 0.000 1.060 27 V HN 0.211 nan 8.190 nan 0.000 0.437 28 G N 0.799 109.665 108.800 0.109 0.000 2.683 28 G HA2 0.455 4.415 3.960 -0.000 0.000 0.260 28 G HA3 0.455 4.415 3.960 -0.000 0.000 0.260 28 G C -1.088 173.899 174.900 0.145 0.000 1.238 28 G CA -0.389 44.765 45.100 0.089 0.000 0.934 28 G HN 0.736 nan 8.290 nan 0.000 0.534 29 P HA -0.080 nan 4.420 nan 0.000 0.217 29 P C 1.010 178.589 177.300 0.465 0.000 1.150 29 P CA 1.267 64.494 63.100 0.212 0.000 0.832 29 P CB 0.336 31.977 31.700 -0.098 0.000 0.787 30 E N 0.908 121.297 120.200 0.315 0.000 2.017 30 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 30 E C 2.433 179.185 176.600 0.253 0.000 0.997 30 E CA 1.776 58.373 56.400 0.328 0.000 0.804 30 E CB -1.405 28.500 29.700 0.341 0.000 0.757 30 E HN 0.177 nan 8.360 nan 0.000 0.448 31 A N 1.036 123.981 122.820 0.208 0.000 1.902 31 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 31 A C 2.373 180.027 177.584 0.116 0.000 1.181 31 A CA 1.975 54.055 52.037 0.073 0.000 0.623 31 A CB -0.952 18.143 19.000 0.158 0.000 0.818 31 A HN 0.278 nan 8.150 nan 0.000 0.443 32 A N -0.570 122.464 122.820 0.356 0.000 1.972 32 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 32 A C 2.170 179.932 177.584 0.296 0.000 1.169 32 A CA 1.446 53.761 52.037 0.463 0.000 0.635 32 A CB -0.538 18.770 19.000 0.513 0.000 0.810 32 A HN 0.495 nan 8.150 nan 0.000 0.446 33 L N -0.879 120.454 121.223 0.184 0.000 2.017 33 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 33 L C 3.079 179.990 176.870 0.069 0.000 1.073 33 L CA 1.233 56.021 54.840 -0.088 0.000 0.745 33 L CB -0.393 41.640 42.059 -0.043 0.000 0.894 33 L HN 0.447 nan 8.230 nan 0.000 0.432 34 A N -0.855 121.986 122.820 0.034 0.000 1.858 34 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 34 A C 1.988 179.604 177.584 0.053 0.000 1.190 34 A CA 1.680 53.705 52.037 -0.020 0.000 0.617 34 A CB -1.007 17.848 19.000 -0.241 0.000 0.827 34 A HN 0.410 nan 8.150 nan 0.000 0.443 35 Y N -2.097 118.319 120.300 0.193 0.000 2.128 35 Y HA -0.235 4.315 4.550 -0.000 0.000 0.284 35 Y C 2.217 178.285 175.900 0.281 0.000 1.154 35 Y CA 1.065 59.321 58.100 0.260 0.000 1.149 35 Y CB -1.014 37.564 38.460 0.198 0.000 0.976 35 Y HN 0.611 nan 8.280 nan 0.000 0.505 36 W N 0.450 121.840 121.300 0.150 0.000 2.338 36 W HA -0.245 4.415 4.660 0.000 0.000 0.304 36 W C 2.485 178.958 176.519 -0.077 0.000 1.212 36 W CA 2.357 59.684 57.345 -0.030 0.000 1.264 36 W CB -0.508 28.807 29.460 -0.243 0.000 1.142 36 W HN 0.102 nan 8.180 nan 0.000 0.512 37 H N -0.013 119.160 119.070 0.171 0.000 2.423 37 H HA 0.014 4.570 4.556 -0.000 0.000 0.297 37 H C 1.936 177.206 175.328 -0.096 0.000 1.075 37 H CA 1.469 57.505 56.048 -0.021 0.000 1.342 37 H CB -0.095 29.713 29.762 0.077 0.000 1.395 37 H HN 0.113 nan 8.280 nan 0.000 0.530 38 R N -0.078 120.528 120.500 0.176 0.000 2.310 38 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 38 R C 1.048 177.288 176.300 -0.099 0.000 0.933 38 R CA 0.566 56.768 56.100 0.170 0.000 1.054 38 R CB 0.122 30.760 30.300 0.563 0.000 0.985 38 R HN 0.420 nan 8.270 nan 0.000 0.489 39 G N 1.260 109.953 108.800 -0.179 0.000 2.148 39 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.254 39 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.254 39 G C -0.165 174.554 174.900 -0.302 0.000 0.981 39 G CA -0.238 44.658 45.100 -0.341 0.000 0.670 39 G HN 0.273 nan 8.290 nan 0.000 0.528 40 F N 0.729 120.689 119.950 0.016 0.000 2.413 40 F HA 0.592 5.119 4.527 0.000 0.000 0.359 40 F C 1.567 177.388 175.800 0.034 0.000 1.122 40 F CA -0.697 57.331 58.000 0.047 0.000 1.160 40 F CB 0.995 40.082 39.000 0.145 0.000 1.146 40 F HN -0.120 nan 8.300 nan 0.000 0.514 41 R N 2.072 122.639 120.500 0.112 0.000 2.194 41 R HA 0.279 4.619 4.340 -0.000 0.000 0.194 41 R C 0.488 176.831 176.300 0.071 0.000 0.985 41 R CA 0.321 56.477 56.100 0.094 0.000 1.104 41 R CB 0.075 30.400 30.300 0.041 0.000 1.092 41 R HN 0.483 nan 8.270 nan 0.000 0.555 42 R N 0.456 120.986 120.500 0.049 0.000 2.856 42 R HA 0.405 4.745 4.340 -0.000 0.000 0.258 42 R C 0.908 177.221 176.300 0.022 0.000 1.066 42 R CA -0.755 55.364 56.100 0.030 0.000 1.045 42 R CB 1.355 31.669 30.300 0.024 0.000 1.178 42 R HN -0.164 nan 8.270 nan 0.000 0.499 43 K N 1.417 121.818 120.400 0.002 0.000 2.152 43 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 43 K C 1.327 177.936 176.600 0.016 0.000 1.048 43 K CA 1.604 57.884 56.287 -0.012 0.000 0.933 43 K CB 0.144 32.635 32.500 -0.015 0.000 0.721 43 K HN 0.584 nan 8.250 nan 0.000 0.447 44 E N 0.606 120.823 120.200 0.029 0.000 2.516 44 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 44 E C 0.257 176.898 176.600 0.067 0.000 1.069 44 E CA 0.881 57.306 56.400 0.041 0.000 0.876 44 E CB 0.010 29.729 29.700 0.033 0.000 0.843 44 E HN 0.311 nan 8.360 nan 0.000 0.530 45 D N 0.780 121.238 120.400 0.097 0.000 2.305 45 D HA 0.074 4.714 4.640 -0.000 0.000 0.206 45 D C 1.923 178.445 176.300 0.371 0.000 0.974 45 D CA 0.284 54.369 54.000 0.142 0.000 0.871 45 D CB 0.044 40.906 40.800 0.104 0.000 0.947 45 D HN 0.182 nan 8.370 nan 0.000 0.516 46 L N -0.167 121.223 121.223 0.278 0.000 2.209 46 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 46 L C 0.099 177.045 176.870 0.126 0.000 1.094 46 L CA 0.877 55.828 54.840 0.185 0.000 0.790 46 L CB 0.230 42.261 42.059 -0.047 0.000 0.932 46 L HN -0.172 nan 8.230 nan 0.000 0.447 47 D N 0.153 120.607 120.400 0.090 0.000 2.502 47 D HA 0.177 4.817 4.640 -0.000 0.000 0.301 47 D C -2.232 174.105 176.300 0.062 0.000 1.202 47 D CA -1.282 52.752 54.000 0.057 0.000 0.878 47 D CB 0.903 41.717 40.800 0.024 0.000 1.062 47 D HN -0.002 nan 8.370 nan 0.000 0.499 48 P HA 0.126 nan 4.420 nan 0.000 0.269 48 P C -2.535 174.801 177.300 0.061 0.000 1.217 48 P CA -1.038 62.106 63.100 0.073 0.000 0.783 48 P CB 0.128 31.880 31.700 0.087 0.000 0.898 49 P HA 0.167 nan 4.420 nan 0.000 0.279 49 P C -0.638 176.735 177.300 0.123 0.000 1.239 49 P CA -0.429 62.729 63.100 0.097 0.000 0.789 49 P CB 0.644 32.408 31.700 0.107 0.000 0.933 50 L N 3.229 124.533 121.223 0.136 0.000 2.283 50 L HA 0.570 4.910 4.340 -0.000 0.000 0.287 50 L C -0.326 176.818 176.870 0.457 0.000 1.073 50 L CA -0.130 54.819 54.840 0.182 0.000 0.822 50 L CB -0.321 41.823 42.059 0.142 0.000 1.186 50 L HN 0.551 nan 8.230 nan 0.000 0.436 51 A N 4.520 127.627 122.820 0.478 0.000 2.485 51 A HA 0.680 5.000 4.320 -0.000 0.000 0.292 51 A C -1.331 176.128 177.584 -0.210 0.000 1.147 51 A CA -0.786 51.388 52.037 0.227 0.000 0.750 51 A CB 1.070 20.151 19.000 0.135 0.000 1.331 51 A HN 0.658 nan 8.150 nan 0.000 0.419 52 L N 1.435 122.181 121.223 -0.795 0.000 2.363 52 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 52 L C -0.531 176.037 176.870 -0.504 0.000 1.106 52 L CA 0.094 54.315 54.840 -1.032 0.000 0.859 52 L CB -0.726 40.589 42.059 -1.240 0.000 1.223 52 L HN 0.523 nan 8.230 nan 0.000 0.446 53 L N 7.611 128.543 121.223 -0.484 0.000 2.453 53 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 53 L C -1.459 175.225 176.870 -0.310 0.000 1.182 53 L CA -1.318 53.286 54.840 -0.393 0.000 0.858 53 L CB 0.273 41.997 42.059 -0.558 0.000 1.120 53 L HN 0.563 nan 8.230 nan 0.000 0.474 54 P HA 0.164 nan 4.420 nan 0.000 0.220 54 P C -0.446 176.770 177.300 -0.139 0.000 1.806 54 P CA -0.162 62.841 63.100 -0.161 0.000 0.976 54 P CB -0.128 31.502 31.700 -0.117 0.000 1.952 55 L N 0.579 121.704 121.223 -0.164 0.000 2.461 55 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 55 L C 1.270 178.089 176.870 -0.085 0.000 1.197 55 L CA -0.316 54.448 54.840 -0.126 0.000 0.836 55 L CB 0.320 42.290 42.059 -0.148 0.000 1.105 55 L HN 0.140 nan 8.230 nan 0.000 0.477 56 K N 1.490 121.858 120.400 -0.053 0.000 2.401 56 K HA 0.185 4.505 4.320 -0.000 0.000 0.278 56 K C 0.973 177.555 176.600 -0.031 0.000 1.018 56 K CA 0.841 57.106 56.287 -0.037 0.000 0.981 56 K CB 0.433 32.921 32.500 -0.021 0.000 0.933 56 K HN 0.821 nan 8.250 nan 0.000 0.477 57 G N 3.296 112.077 108.800 -0.030 0.000 2.225 57 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 57 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 57 G C 0.559 175.438 174.900 -0.034 0.000 0.988 57 G CA 0.289 45.374 45.100 -0.024 0.000 0.625 57 G HN 0.609 nan 8.290 nan 0.000 0.527 58 L N 0.875 122.066 121.223 -0.053 0.000 2.042 58 L HA 0.138 4.478 4.340 -0.000 0.000 0.210 58 L C 2.843 179.680 176.870 -0.055 0.000 1.076 58 L CA 2.964 57.764 54.840 -0.067 0.000 0.749 58 L CB -0.504 41.493 42.059 -0.104 0.000 0.893 58 L HN 0.455 nan 8.230 nan 0.000 0.432 59 R N -0.868 119.602 120.500 -0.050 0.000 2.075 59 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 59 R C 2.229 178.515 176.300 -0.025 0.000 1.126 59 R CA 1.437 57.514 56.100 -0.038 0.000 0.963 59 R CB -0.406 29.872 30.300 -0.037 0.000 0.858 59 R HN 0.509 nan 8.270 nan 0.000 0.435 60 E N 0.857 121.044 120.200 -0.022 0.000 2.077 60 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 60 E C 1.907 178.499 176.600 -0.012 0.000 0.989 60 E CA 1.113 57.505 56.400 -0.014 0.000 0.800 60 E CB 0.003 29.695 29.700 -0.012 0.000 0.746 60 E HN 0.346 nan 8.360 nan 0.000 0.452 61 A N 1.177 123.987 122.820 -0.016 0.000 1.902 61 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 61 A C 2.375 179.951 177.584 -0.013 0.000 1.181 61 A CA 1.713 53.741 52.037 -0.014 0.000 0.623 61 A CB -0.674 18.314 19.000 -0.020 0.000 0.818 61 A HN 0.410 nan 8.150 nan 0.000 0.443 62 A N -0.214 122.597 122.820 -0.016 0.000 1.930 62 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 62 A C 2.472 180.055 177.584 -0.002 0.000 1.175 62 A CA 1.850 53.883 52.037 -0.007 0.000 0.627 62 A CB -0.911 18.085 19.000 -0.006 0.000 0.815 62 A HN 1.003 nan 8.150 nan 0.000 0.443 63 A N -0.592 122.225 122.820 -0.004 0.000 1.902 63 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 63 A C 2.067 179.651 177.584 0.000 0.000 1.181 63 A CA 1.698 53.734 52.037 -0.002 0.000 0.623 63 A CB -0.549 18.449 19.000 -0.004 0.000 0.818 63 A HN 0.481 nan 8.150 nan 0.000 0.443 64 L N -0.223 120.999 121.223 -0.001 0.000 2.046 64 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 64 L C 2.354 179.225 176.870 0.003 0.000 1.077 64 L CA 1.578 56.420 54.840 0.002 0.000 0.747 64 L CB -0.677 41.383 42.059 0.003 0.000 0.896 64 L HN 0.419 nan 8.230 nan 0.000 0.432 65 L N -0.978 120.245 121.223 0.001 0.000 2.093 65 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 65 L C 2.500 179.372 176.870 0.003 0.000 1.085 65 L CA 1.410 56.250 54.840 0.000 0.000 0.755 65 L CB -0.509 41.548 42.059 -0.004 0.000 0.904 65 L HN 0.406 nan 8.230 nan 0.000 0.435 66 E N 0.159 120.361 120.200 0.004 0.000 2.077 66 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 66 E C 2.005 178.607 176.600 0.003 0.000 0.989 66 E CA 1.113 57.515 56.400 0.004 0.000 0.800 66 E CB 0.193 29.895 29.700 0.003 0.000 0.746 66 E HN 0.357 nan 8.360 nan 0.000 0.452 67 E N 0.368 120.570 120.200 0.004 0.000 2.051 67 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 67 E C 1.986 178.591 176.600 0.007 0.000 0.991 67 E CA 1.104 57.507 56.400 0.005 0.000 0.799 67 E CB -0.429 29.274 29.700 0.005 0.000 0.748 67 E HN 0.388 nan 8.360 nan 0.000 0.449 68 A N 1.705 124.530 122.820 0.008 0.000 1.908 68 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 68 A C 2.228 179.820 177.584 0.012 0.000 1.181 68 A CA 1.079 53.123 52.037 0.012 0.000 0.627 68 A CB -0.582 18.426 19.000 0.012 0.000 0.818 68 A HN 0.207 nan 8.150 nan 0.000 0.445 69 L N -0.295 120.933 121.223 0.009 0.000 1.994 69 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 69 L C 2.565 179.441 176.870 0.009 0.000 1.071 69 L CA 2.431 57.277 54.840 0.009 0.000 0.745 69 L CB -1.022 41.040 42.059 0.005 0.000 0.892 69 L HN 0.552 nan 8.230 nan 0.000 0.431 70 R N -0.422 120.081 120.500 0.006 0.000 2.081 70 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 70 R C 2.011 178.315 176.300 0.007 0.000 1.131 70 R CA 1.448 57.551 56.100 0.005 0.000 0.960 70 R CB -0.014 30.288 30.300 0.003 0.000 0.856 70 R HN 0.527 nan 8.270 nan 0.000 0.436 71 Q N -0.871 118.934 119.800 0.008 0.000 2.444 71 Q HA 0.111 4.451 4.340 -0.000 0.000 0.206 71 Q C 0.541 176.548 176.000 0.012 0.000 0.948 71 Q CA 0.451 56.259 55.803 0.009 0.000 0.946 71 Q CB 0.828 29.571 28.738 0.008 0.000 1.027 71 Q HN 0.623 nan 8.270 nan 0.000 0.513 72 G N 2.026 110.835 108.800 0.014 0.000 2.249 72 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.273 72 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.273 72 G C -0.151 174.763 174.900 0.024 0.000 1.036 72 G CA 0.016 45.128 45.100 0.019 0.000 0.824 72 G HN 0.035 nan 8.290 nan 0.000 0.504 73 K N -0.386 120.029 120.400 0.024 0.000 2.295 73 K HA 0.254 4.574 4.320 -0.000 0.000 0.270 73 K C 0.813 177.440 176.600 0.044 0.000 1.011 73 K CA -0.642 55.663 56.287 0.030 0.000 0.953 73 K CB 0.724 33.239 32.500 0.026 0.000 0.956 73 K HN 0.430 nan 8.250 nan 0.000 0.477 74 R N 2.616 123.151 120.500 0.059 0.000 2.242 74 R HA 0.213 4.553 4.340 -0.000 0.000 0.334 74 R C -0.319 176.042 176.300 0.102 0.000 1.071 74 R CA -0.053 56.106 56.100 0.099 0.000 0.922 74 R CB -0.083 30.285 30.300 0.114 0.000 1.023 74 R HN 0.487 nan 8.270 nan 0.000 0.458 75 I N 4.548 125.161 120.570 0.071 0.000 2.331 75 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 75 I C 0.332 176.341 176.117 -0.180 0.000 0.998 75 I CA -0.529 60.765 61.300 -0.009 0.000 1.267 75 I CB 1.451 39.435 38.000 -0.027 0.000 1.386 75 I HN 0.499 nan 8.210 nan 0.000 0.476 76 R N 5.801 126.189 120.500 -0.187 0.000 2.494 76 R HA 0.698 5.038 4.340 -0.000 0.000 0.305 76 R C -1.711 174.390 176.300 -0.332 0.000 0.959 76 R CA -0.545 55.297 56.100 -0.430 0.000 0.864 76 R CB 1.811 32.078 30.300 -0.055 0.000 1.159 76 R HN 0.453 nan 8.270 nan 0.000 0.446 77 V N 3.969 123.710 119.914 -0.289 0.000 2.417 77 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 77 V C -0.785 175.253 176.094 -0.094 0.000 1.024 77 V CA -0.778 61.385 62.300 -0.229 0.000 0.861 77 V CB 1.233 32.968 31.823 -0.147 0.000 0.985 77 V HN 0.729 nan 8.190 nan 0.000 0.436 78 H N 2.202 121.083 119.070 -0.314 0.000 2.529 78 H HA 0.785 5.341 4.556 0.000 0.000 0.348 78 H C -0.054 175.218 175.328 -0.094 0.000 1.079 78 H CA -0.247 55.713 56.048 -0.147 0.000 1.198 78 H CB 1.950 31.651 29.762 -0.102 0.000 1.521 78 H HN 0.914 nan 8.280 nan 0.000 0.514 79 G N 3.785 112.292 108.800 -0.489 0.000 2.110 79 G HA2 0.210 4.170 3.960 -0.000 0.000 0.218 79 G HA3 0.210 4.170 3.960 -0.000 0.000 0.218 79 G C -1.040 173.726 174.900 -0.222 0.000 2.460 79 G CA -0.253 44.624 45.100 -0.372 0.000 0.838 79 G HN 0.694 nan 8.290 nan 0.000 0.534 80 D N 0.088 120.359 120.400 -0.215 0.000 2.562 80 D HA 0.047 4.687 4.640 -0.000 0.000 0.246 80 D C 0.912 177.186 176.300 -0.043 0.000 1.347 80 D CA -0.468 53.477 54.000 -0.092 0.000 0.800 80 D CB -0.309 40.449 40.800 -0.071 0.000 1.111 80 D HN 0.325 nan 8.370 nan 0.000 0.508 81 Y N 2.419 122.651 120.300 -0.114 0.000 2.224 81 Y HA -0.008 4.542 4.550 -0.000 0.000 0.289 81 Y C -0.191 175.675 175.900 -0.055 0.000 1.146 81 Y CA 1.893 59.946 58.100 -0.077 0.000 1.182 81 Y CB 0.258 38.669 38.460 -0.082 0.000 0.983 81 Y HN 0.142 nan 8.280 nan 0.000 0.524 82 D N -3.285 117.109 120.400 -0.010 0.000 2.768 82 D HA 0.323 4.963 4.640 -0.000 0.000 0.327 82 D C 0.814 177.107 176.300 -0.011 0.000 1.302 82 D CA -0.057 53.912 54.000 -0.052 0.000 0.897 82 D CB 0.413 41.251 40.800 0.064 0.000 1.420 82 D HN -0.001 nan 8.370 nan 0.000 0.494 83 A N -0.146 122.662 122.820 -0.020 0.000 1.948 83 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 83 A C 1.674 179.255 177.584 -0.006 0.000 1.177 83 A CA 2.553 54.577 52.037 -0.023 0.000 0.636 83 A CB -1.076 17.905 19.000 -0.032 0.000 0.815 83 A HN 0.650 nan 8.150 nan 0.000 0.449 84 D N -0.762 119.655 120.400 0.028 0.000 2.097 84 D HA -0.047 4.593 4.640 -0.000 0.000 0.195 84 D C 2.048 178.366 176.300 0.031 0.000 0.989 84 D CA 1.753 55.773 54.000 0.033 0.000 0.827 84 D CB -0.554 40.298 40.800 0.088 0.000 0.966 84 D HN 0.296 nan 8.370 nan 0.000 0.456 85 G N 0.130 108.960 108.800 0.051 0.000 2.402 85 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 85 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 85 G C 1.836 176.718 174.900 -0.031 0.000 1.162 85 G CA 0.517 45.623 45.100 0.012 0.000 0.777 85 G HN 0.336 nan 8.290 nan 0.000 0.539 86 L N 1.131 122.335 121.223 -0.032 0.000 2.056 86 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 86 L C 3.343 180.181 176.870 -0.053 0.000 1.078 86 L CA 1.722 56.532 54.840 -0.049 0.000 0.749 86 L CB -0.782 41.247 42.059 -0.051 0.000 0.901 86 L HN 0.409 nan 8.230 nan 0.000 0.433 87 T N -3.380 111.148 114.554 -0.045 0.000 2.857 87 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 87 T C 1.942 176.616 174.700 -0.043 0.000 1.048 87 T CA 0.884 62.954 62.100 -0.051 0.000 1.139 87 T CB -0.788 68.055 68.868 -0.041 0.000 0.874 87 T HN 0.366 nan 8.240 nan 0.000 0.455 88 G N 1.657 110.440 108.800 -0.028 0.000 2.418 88 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 88 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 88 G C 1.866 176.739 174.900 -0.046 0.000 1.158 88 G CA 1.606 46.694 45.100 -0.020 0.000 0.771 88 G HN 0.660 nan 8.290 nan 0.000 0.545 89 T N -0.584 113.934 114.554 -0.060 0.000 2.904 89 T HA 0.244 4.594 4.350 -0.000 0.000 0.267 89 T C 2.547 177.199 174.700 -0.079 0.000 1.059 89 T CA 1.680 63.737 62.100 -0.072 0.000 1.137 89 T CB -0.294 68.532 68.868 -0.070 0.000 0.879 89 T HN 0.315 nan 8.240 nan 0.000 0.467 90 A N 1.287 124.053 122.820 -0.089 0.000 1.933 90 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 90 A C 2.361 179.859 177.584 -0.143 0.000 1.175 90 A CA 1.407 53.367 52.037 -0.128 0.000 0.628 90 A CB -0.805 18.095 19.000 -0.166 0.000 0.814 90 A HN 0.624 nan 8.150 nan 0.000 0.444 91 I N -0.540 119.969 120.570 -0.101 0.000 2.142 91 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 91 I C 2.399 178.408 176.117 -0.180 0.000 1.078 91 I CA 1.256 62.506 61.300 -0.083 0.000 1.343 91 I CB -0.295 37.706 38.000 0.002 0.000 1.046 91 I HN 0.290 nan 8.210 nan 0.000 0.405 92 L N -0.357 120.786 121.223 -0.132 0.000 2.056 92 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 92 L C 2.517 179.322 176.870 -0.108 0.000 1.078 92 L CA 0.911 55.672 54.840 -0.132 0.000 0.749 92 L CB -0.551 41.446 42.059 -0.104 0.000 0.901 92 L HN 0.079 nan 8.230 nan 0.000 0.433 93 V N -0.252 119.609 119.914 -0.088 0.000 2.270 93 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 93 V C 2.639 178.712 176.094 -0.034 0.000 1.043 93 V CA 1.719 63.985 62.300 -0.056 0.000 1.014 93 V CB -0.543 31.254 31.823 -0.042 0.000 0.645 93 V HN 0.379 nan 8.190 nan 0.000 0.447 94 R N 0.015 120.487 120.500 -0.046 0.000 2.070 94 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 94 R C 2.489 178.841 176.300 0.087 0.000 1.137 94 R CA 1.586 57.696 56.100 0.018 0.000 0.945 94 R CB -0.996 29.264 30.300 -0.066 0.000 0.845 94 R HN 0.594 nan 8.270 nan 0.000 0.430 95 G N 1.164 109.937 108.800 -0.046 0.000 2.446 95 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 95 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 95 G C 1.446 176.334 174.900 -0.020 0.000 1.168 95 G CA 0.639 45.637 45.100 -0.169 0.000 0.771 95 G HN 0.136 nan 8.290 nan 0.000 0.551 96 L N 0.522 121.721 121.223 -0.040 0.000 2.109 96 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 96 L C 3.371 180.256 176.870 0.025 0.000 1.086 96 L CA 0.853 55.689 54.840 -0.006 0.000 0.760 96 L CB -0.355 41.689 42.059 -0.025 0.000 0.910 96 L HN 0.307 nan 8.230 nan 0.000 0.437 97 A N 0.065 122.905 122.820 0.033 0.000 2.015 97 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 97 A C 2.465 180.091 177.584 0.070 0.000 1.163 97 A CA 1.470 53.538 52.037 0.050 0.000 0.646 97 A CB -0.512 18.519 19.000 0.053 0.000 0.806 97 A HN 0.385 nan 8.150 nan 0.000 0.448 98 A N -0.437 122.443 122.820 0.100 0.000 2.066 98 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 98 A C 1.816 179.449 177.584 0.082 0.000 1.157 98 A CA 1.061 53.171 52.037 0.123 0.000 0.670 98 A CB -0.417 18.709 19.000 0.211 0.000 0.804 98 A HN 0.470 nan 8.150 nan 0.000 0.453 99 L N -1.390 119.869 121.223 0.060 0.000 2.591 99 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 99 L C 1.450 178.332 176.870 0.020 0.000 1.133 99 L CA 0.502 55.356 54.840 0.024 0.000 0.880 99 L CB -0.126 41.937 42.059 0.007 0.000 1.033 99 L HN 0.521 nan 8.230 nan 0.000 0.450 100 G N 0.282 109.100 108.800 0.031 0.000 2.130 100 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 100 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 100 G C 0.264 175.180 174.900 0.027 0.000 0.999 100 G CA -0.083 45.033 45.100 0.027 0.000 0.686 100 G HN 0.461 nan 8.290 nan 0.000 0.515 101 A N -0.253 122.584 122.820 0.029 0.000 2.304 101 A HA 0.613 4.933 4.320 -0.000 0.000 0.271 101 A C 0.315 177.924 177.584 0.041 0.000 1.091 101 A CA 0.407 52.461 52.037 0.029 0.000 0.812 101 A CB 0.670 19.683 19.000 0.020 0.000 1.056 101 A HN 0.526 nan 8.150 nan 0.000 0.489 102 D N 1.136 121.566 120.400 0.050 0.000 2.518 102 D HA 0.367 5.007 4.640 -0.000 0.000 0.230 102 D C -0.922 175.443 176.300 0.108 0.000 1.138 102 D CA 0.092 54.137 54.000 0.076 0.000 0.964 102 D CB 0.444 41.286 40.800 0.070 0.000 1.011 102 D HN 0.277 nan 8.370 nan 0.000 0.517 103 V N 4.501 124.474 119.914 0.098 0.000 2.864 103 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 103 V C -1.435 174.729 176.094 0.116 0.000 1.073 103 V CA -0.492 61.841 62.300 0.055 0.000 0.956 103 V CB 1.941 33.759 31.823 -0.008 0.000 1.023 103 V HN 0.754 nan 8.190 nan 0.000 0.435 104 H N 4.046 123.142 119.070 0.043 0.000 3.046 104 H HA 0.759 5.315 4.556 -0.000 0.000 0.363 104 H C -3.191 172.186 175.328 0.082 0.000 1.203 104 H CA -2.067 54.016 56.048 0.058 0.000 1.169 104 H CB 1.925 31.728 29.762 0.067 0.000 1.851 104 H HN 0.494 nan 8.280 nan 0.000 0.546 105 P HA 0.145 nan 4.420 nan 0.000 0.279 105 P C -1.074 176.393 177.300 0.279 0.000 1.252 105 P CA -0.421 62.736 63.100 0.095 0.000 0.811 105 P CB 1.194 32.938 31.700 0.074 0.000 1.035 106 F N 3.413 123.424 119.950 0.102 0.000 2.366 106 F HA 0.396 4.923 4.527 0.000 0.000 0.366 106 F C -0.908 174.999 175.800 0.178 0.000 1.096 106 F CA -1.605 56.489 58.000 0.157 0.000 1.060 106 F CB 0.256 39.354 39.000 0.162 0.000 1.282 106 F HN 0.064 nan 8.300 nan 0.000 0.450 107 I N 8.700 129.127 120.570 -0.238 0.000 2.307 107 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 107 I C -2.008 173.787 176.117 -0.536 0.000 1.021 107 I CA -1.572 59.548 61.300 -0.299 0.000 1.224 107 I CB 1.029 38.977 38.000 -0.087 0.000 1.376 107 I HN 0.483 nan 8.210 nan 0.000 0.470 130 D N 0.017 120.454 120.400 0.061 0.000 2.422 130 D HA 0.257 4.897 4.640 -0.000 0.000 0.218 130 D C -0.001 176.331 176.300 0.054 0.000 1.047 130 D CA 0.530 54.554 54.000 0.041 0.000 0.885 130 D CB 0.522 41.343 40.800 0.035 0.000 1.035 130 D HN 0.382 nan 8.370 nan 0.000 0.502 131 L N 0.277 121.548 121.223 0.079 0.000 2.436 131 L HA 0.463 4.803 4.340 -0.000 0.000 0.268 131 L C -1.914 175.052 176.870 0.161 0.000 0.974 131 L CA -0.818 54.076 54.840 0.091 0.000 0.826 131 L CB 2.394 44.481 42.059 0.048 0.000 1.291 131 L HN -0.288 nan 8.230 nan 0.000 0.406 132 F N 5.616 125.555 119.950 -0.019 0.000 2.449 132 F HA 0.637 5.164 4.527 0.000 0.000 0.342 132 F C -1.288 174.517 175.800 0.008 0.000 1.127 132 F CA -0.701 57.290 58.000 -0.015 0.000 0.975 132 F CB 1.229 40.221 39.000 -0.014 0.000 1.146 132 F HN 0.289 nan 8.300 nan 0.000 0.444 133 L N 5.518 126.519 121.223 -0.369 0.000 2.287 133 L HA 0.505 4.845 4.340 -0.000 0.000 0.287 133 L C -0.323 176.320 176.870 -0.379 0.000 1.022 133 L CA -0.710 53.971 54.840 -0.265 0.000 0.814 133 L CB 1.847 43.802 42.059 -0.173 0.000 1.217 133 L HN 0.634 nan 8.230 nan 0.000 0.420 134 T N 0.168 114.599 114.554 -0.206 0.000 2.786 134 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 134 T C -0.292 174.365 174.700 -0.072 0.000 0.992 134 T CA -0.702 61.318 62.100 -0.134 0.000 0.954 134 T CB 1.676 70.547 68.868 0.005 0.000 0.934 134 T HN 0.137 nan 8.240 nan 0.000 0.440 135 V N 3.130 122.990 119.914 -0.090 0.000 2.539 135 V HA 0.439 4.559 4.120 -0.000 0.000 0.292 135 V C 0.558 176.644 176.094 -0.013 0.000 1.045 135 V CA -0.177 62.094 62.300 -0.048 0.000 0.945 135 V CB 0.902 32.690 31.823 -0.059 0.000 0.993 135 V HN 1.149 nan 8.190 nan 0.000 0.464 136 D N 1.796 122.228 120.400 0.054 0.000 2.767 136 D HA -0.169 4.471 4.640 -0.000 0.000 0.239 136 D C -0.239 176.126 176.300 0.108 0.000 1.103 136 D CA 0.958 55.045 54.000 0.145 0.000 0.710 136 D CB -1.075 39.833 40.800 0.180 0.000 1.084 136 D HN 0.981 nan 8.370 nan 0.000 0.435 153 V N 1.464 121.371 119.914 -0.011 0.000 3.478 153 V HA -0.090 4.030 4.120 -0.000 0.000 0.490 153 V C -0.662 175.442 176.094 0.017 0.000 0.682 153 V CA 0.522 62.821 62.300 -0.001 0.000 2.029 153 V CB -1.008 30.796 31.823 -0.033 0.000 2.466 153 V HN 0.905 nan 8.190 nan 0.000 0.504 154 E N 3.891 124.112 120.200 0.034 0.000 2.313 154 E HA 0.721 5.071 4.350 -0.000 0.000 0.272 154 E C 0.095 176.740 176.600 0.076 0.000 1.038 154 E CA -0.554 55.871 56.400 0.041 0.000 0.863 154 E CB 1.998 31.717 29.700 0.032 0.000 1.060 154 E HN 1.092 nan 8.360 nan 0.000 0.402 155 V N -0.953 119.006 119.914 0.075 0.000 2.656 155 V HA 0.619 4.739 4.120 -0.000 0.000 0.307 155 V C -0.066 176.072 176.094 0.073 0.000 1.051 155 V CA -0.953 61.415 62.300 0.113 0.000 0.893 155 V CB 1.441 33.351 31.823 0.145 0.000 0.999 155 V HN 0.539 nan 8.190 nan 0.000 0.426 156 I N 3.803 124.411 120.570 0.063 0.000 2.439 156 I HA 0.420 4.590 4.170 -0.000 0.000 0.285 156 I C -0.588 175.544 176.117 0.025 0.000 1.021 156 I CA -0.865 60.453 61.300 0.030 0.000 1.091 156 I CB 2.202 40.206 38.000 0.006 0.000 1.242 156 I HN 0.483 nan 8.210 nan 0.000 0.439 157 V N 3.571 123.507 119.914 0.037 0.000 2.258 157 V HA 0.126 4.246 4.120 -0.000 0.000 0.258 157 V C 0.832 176.943 176.094 0.029 0.000 1.121 157 V CA -0.367 61.959 62.300 0.042 0.000 0.942 157 V CB 0.430 32.290 31.823 0.062 0.000 1.170 157 V HN 0.829 nan 8.190 nan 0.000 0.487 158 T N 4.245 118.802 114.554 0.005 0.000 3.766 158 T HA 0.327 4.677 4.350 -0.000 0.000 0.327 158 T C -0.206 174.491 174.700 -0.005 0.000 1.595 158 T CA -0.196 61.900 62.100 -0.007 0.000 1.204 158 T CB -0.861 67.990 68.868 -0.028 0.000 1.245 158 T HN 0.880 nan 8.240 nan 0.000 0.875 159 D N 1.211 121.623 120.400 0.019 0.000 2.970 159 D HA 0.207 4.847 4.640 -0.000 0.000 0.344 159 D C -0.876 175.425 176.300 0.001 0.000 1.365 159 D CA -0.746 53.267 54.000 0.020 0.000 0.910 159 D CB 0.953 41.791 40.800 0.062 0.000 1.445 159 D HN 0.651 nan 8.370 nan 0.000 0.532 160 H N -1.812 117.161 119.070 -0.161 0.000 2.768 160 H HA 0.698 5.254 4.556 0.000 0.000 0.371 160 H C -1.434 173.900 175.328 0.011 0.000 1.151 160 H CA -0.507 55.369 56.048 -0.288 0.000 1.165 160 H CB 1.968 31.456 29.762 -0.456 0.000 1.722 160 H HN 0.645 nan 8.280 nan 0.000 0.543 161 H N 2.394 121.241 119.070 -0.372 0.000 6.339 161 H HA 0.074 4.630 4.556 0.000 0.000 0.895 161 H C -1.344 173.881 175.328 -0.171 0.000 1.981 161 H CA 0.460 56.243 56.048 -0.440 0.000 1.393 161 H CB -0.703 28.838 29.762 -0.369 0.000 4.726 161 H HN 1.216 nan 8.280 nan 0.000 0.696 172 V N 6.024 125.952 119.914 0.025 0.000 2.448 172 V HA 0.766 4.886 4.120 -0.000 0.000 0.295 172 V C -0.989 175.130 176.094 0.042 0.000 1.025 172 V CA -0.339 61.984 62.300 0.039 0.000 0.859 172 V CB 2.125 33.976 31.823 0.046 0.000 0.988 172 V HN 0.471 nan 8.190 nan 0.000 0.431 173 V N 7.742 127.680 119.914 0.040 0.000 2.333 173 V HA 0.562 4.682 4.120 -0.000 0.000 0.274 173 V C -0.321 175.812 176.094 0.064 0.000 1.028 173 V CA -0.326 61.988 62.300 0.023 0.000 0.851 173 V CB 0.829 32.640 31.823 -0.020 0.000 1.000 173 V HN 0.947 nan 8.190 nan 0.000 0.456 174 H N 6.568 125.617 119.070 -0.035 0.000 3.042 174 H HA 0.326 4.882 4.556 -0.000 0.000 0.345 174 H C -2.526 172.777 175.328 -0.041 0.000 1.052 174 H CA -1.517 54.515 56.048 -0.026 0.000 1.311 174 H CB 3.244 32.999 29.762 -0.011 0.000 1.810 174 H HN 0.230 nan 8.280 nan 0.000 0.505 175 P HA -0.193 nan 4.420 nan 0.000 0.215 175 P C 1.263 178.674 177.300 0.184 0.000 1.163 175 P CA 2.666 65.812 63.100 0.077 0.000 0.894 175 P CB 0.031 31.716 31.700 -0.025 0.000 0.791 176 A N -0.713 122.336 122.820 0.381 0.000 1.997 176 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 176 A C 2.150 179.744 177.584 0.017 0.000 1.172 176 A CA 1.576 53.677 52.037 0.107 0.000 0.645 176 A CB -1.703 17.245 19.000 -0.087 0.000 0.813 176 A HN 0.166 nan 8.150 nan 0.000 0.454 177 L N -0.477 120.764 121.223 0.030 0.000 2.275 177 L HA -0.054 4.286 4.340 -0.000 0.000 0.215 177 L C 0.427 177.296 176.870 -0.001 0.000 1.119 177 L CA 0.721 55.558 54.840 -0.005 0.000 0.790 177 L CB -0.708 41.355 42.059 0.006 0.000 0.919 177 L HN 0.207 nan 8.230 nan 0.000 0.443 178 T N 2.861 117.421 114.554 0.010 0.000 2.875 178 T HA 0.203 4.553 4.350 -0.000 0.000 0.307 178 T C -2.193 172.504 174.700 -0.005 0.000 1.013 178 T CA -1.141 60.954 62.100 -0.008 0.000 0.970 178 T CB 0.466 69.321 68.868 -0.022 0.000 0.986 178 T HN 0.053 nan 8.240 nan 0.000 0.536 179 P HA 0.190 nan 4.420 nan 0.000 0.267 179 P C -0.119 177.175 177.300 -0.010 0.000 1.209 179 P CA 0.226 63.321 63.100 -0.008 0.000 0.763 179 P CB 0.659 32.352 31.700 -0.011 0.000 0.816 180 D N -0.828 119.568 120.400 -0.006 0.000 2.553 180 D HA -0.162 4.478 4.640 -0.000 0.000 0.178 180 D C 0.301 176.596 176.300 -0.009 0.000 0.951 180 D CA 0.690 54.684 54.000 -0.009 0.000 1.015 180 D CB -1.498 39.294 40.800 -0.013 0.000 1.069 180 D HN 0.323 nan 8.370 nan 0.000 0.463 181 L N 2.001 123.218 121.223 -0.010 0.000 2.433 181 L HA 0.211 4.551 4.340 -0.000 0.000 0.275 181 L C 0.208 177.083 176.870 0.008 0.000 1.128 181 L CA 0.317 55.149 54.840 -0.013 0.000 0.875 181 L CB 0.443 42.484 42.059 -0.031 0.000 1.171 181 L HN -0.187 nan 8.230 nan 0.000 0.463 182 K N 5.467 125.877 120.400 0.017 0.000 2.403 182 K HA 0.381 4.701 4.320 -0.000 0.000 0.235 182 K C -0.783 175.879 176.600 0.104 0.000 1.142 182 K CA -0.105 56.212 56.287 0.049 0.000 1.114 182 K CB 0.085 32.593 32.500 0.012 0.000 1.777 182 K HN 0.548 nan 8.250 nan 0.000 0.424 183 E N 0.737 120.995 120.200 0.097 0.000 2.356 183 E HA 0.322 4.672 4.350 -0.000 0.000 0.275 183 E C -0.602 176.042 176.600 0.073 0.000 0.904 183 E CA -0.629 55.842 56.400 0.118 0.000 0.757 183 E CB 2.159 31.874 29.700 0.024 0.000 1.232 183 E HN 0.081 nan 8.360 nan 0.000 0.442 184 K N 1.756 122.198 120.400 0.069 0.000 3.163 184 K HA 0.277 4.597 4.320 -0.000 0.000 0.186 184 K C -2.399 174.156 176.600 -0.075 0.000 1.111 184 K CA -1.383 54.901 56.287 -0.005 0.000 0.918 184 K CB 1.149 33.645 32.500 -0.008 0.000 1.059 184 K HN 0.202 nan 8.250 nan 0.000 0.558 185 P HA -0.072 nan 4.420 nan 0.000 0.269 185 P C 0.212 177.295 177.300 -0.361 0.000 1.215 185 P CA 0.203 63.221 63.100 -0.136 0.000 0.780 185 P CB 0.916 32.421 31.700 -0.324 0.000 0.898 186 T N -2.124 112.168 114.554 -0.437 0.000 2.902 186 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 186 T C 1.748 176.099 174.700 -0.582 0.000 1.048 186 T CA 0.116 61.594 62.100 -1.037 0.000 0.941 186 T CB -0.038 68.410 68.868 -0.699 0.000 1.432 186 T HN 0.378 nan 8.240 nan 0.000 0.586 187 G N 0.017 108.597 108.800 -0.367 0.000 2.440 187 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 187 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 187 G C 1.737 176.614 174.900 -0.038 0.000 1.154 187 G CA 0.873 45.961 45.100 -0.019 0.000 0.767 187 G HN 1.052 nan 8.290 nan 0.000 0.552 188 A N 0.611 123.405 122.820 -0.044 0.000 1.968 188 A HA 0.275 4.595 4.320 -0.000 0.000 0.217 188 A C 2.644 180.273 177.584 0.074 0.000 1.169 188 A CA 1.781 53.822 52.037 0.007 0.000 0.638 188 A CB -0.769 18.225 19.000 -0.011 0.000 0.812 188 A HN 0.485 nan 8.150 nan 0.000 0.446 189 G N -0.450 108.378 108.800 0.048 0.000 2.402 189 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.216 189 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.216 189 G C 1.464 176.471 174.900 0.179 0.000 1.162 189 G CA 1.259 46.494 45.100 0.226 0.000 0.777 189 G HN 0.294 nan 8.290 nan 0.000 0.539 190 V N 1.443 121.351 119.914 -0.010 0.000 2.453 190 V HA -0.051 4.069 4.120 -0.000 0.000 0.247 190 V C 3.296 179.397 176.094 0.012 0.000 1.048 190 V CA 1.766 64.031 62.300 -0.059 0.000 1.049 190 V CB -0.678 31.077 31.823 -0.114 0.000 0.672 190 V HN 0.460 nan 8.190 nan 0.000 0.457 191 A N -0.218 122.625 122.820 0.039 0.000 1.908 191 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 191 A C 2.115 179.748 177.584 0.080 0.000 1.181 191 A CA 2.154 54.209 52.037 0.030 0.000 0.627 191 A CB -0.725 18.287 19.000 0.020 0.000 0.818 191 A HN 0.540 nan 8.150 nan 0.000 0.445 192 F N 0.455 120.424 119.950 0.032 0.000 2.102 192 F HA -0.110 4.417 4.527 0.000 0.000 0.298 192 F C 1.893 177.798 175.800 0.176 0.000 1.105 192 F CA 1.684 59.746 58.000 0.103 0.000 1.239 192 F CB -0.284 38.854 39.000 0.230 0.000 0.991 192 F HN 0.139 nan 8.300 nan 0.000 0.474 193 L N -0.421 120.931 121.223 0.215 0.000 2.046 193 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 193 L C 2.418 179.260 176.870 -0.047 0.000 1.077 193 L CA 0.956 55.821 54.840 0.041 0.000 0.747 193 L CB -0.831 41.154 42.059 -0.123 0.000 0.896 193 L HN 0.282 nan 8.230 nan 0.000 0.432 194 L N -0.240 120.954 121.223 -0.049 0.000 2.017 194 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 194 L C 2.317 179.150 176.870 -0.062 0.000 1.073 194 L CA 1.621 56.427 54.840 -0.057 0.000 0.745 194 L CB -0.558 41.470 42.059 -0.052 0.000 0.894 194 L HN 0.131 nan 8.230 nan 0.000 0.432 195 L N -1.340 119.810 121.223 -0.122 0.000 2.083 195 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 195 L C 2.232 178.997 176.870 -0.174 0.000 1.083 195 L CA 1.798 56.519 54.840 -0.198 0.000 0.752 195 L CB -1.020 40.797 42.059 -0.404 0.000 0.899 195 L HN 0.562 nan 8.230 nan 0.000 0.433 196 W N 0.518 121.560 121.300 -0.430 0.000 2.381 196 W HA -0.141 4.519 4.660 -0.000 0.000 0.301 196 W C 2.408 178.849 176.519 -0.131 0.000 1.205 196 W CA 2.085 59.215 57.345 -0.357 0.000 1.285 196 W CB -0.882 28.335 29.460 -0.406 0.000 1.133 196 W HN 0.336 nan 8.180 nan 0.000 0.521 197 A N 0.530 123.411 122.820 0.102 0.000 1.908 197 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 197 A C 2.022 179.655 177.584 0.082 0.000 1.181 197 A CA 1.962 54.014 52.037 0.025 0.000 0.627 197 A CB -1.192 17.779 19.000 -0.048 0.000 0.818 197 A HN 0.312 nan 8.150 nan 0.000 0.445 198 L N -0.625 120.651 121.223 0.089 0.000 2.046 198 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 198 L C 2.289 179.256 176.870 0.161 0.000 1.077 198 L CA 2.260 57.160 54.840 0.100 0.000 0.747 198 L CB -0.883 41.229 42.059 0.088 0.000 0.896 198 L HN 0.563 nan 8.230 nan 0.000 0.432 199 H N -0.704 118.389 119.070 0.038 0.000 2.352 199 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 199 H C 1.986 177.360 175.328 0.076 0.000 1.097 199 H CA 1.381 57.455 56.048 0.043 0.000 1.311 199 H CB 0.316 30.089 29.762 0.019 0.000 1.377 199 H HN 0.466 nan 8.280 nan 0.000 0.504 200 E N 0.923 121.277 120.200 0.257 0.000 2.058 200 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 200 E C 2.332 178.985 176.600 0.089 0.000 0.997 200 E CA 0.639 57.144 56.400 0.174 0.000 0.801 200 E CB -0.177 29.615 29.700 0.154 0.000 0.746 200 E HN 0.463 nan 8.360 nan 0.000 0.450 201 R N 0.316 120.857 120.500 0.068 0.000 2.105 201 R HA -0.053 4.287 4.340 -0.000 0.000 0.239 201 R C 2.361 178.673 176.300 0.020 0.000 1.135 201 R CA 0.812 56.933 56.100 0.034 0.000 0.967 201 R CB -0.234 30.081 30.300 0.024 0.000 0.861 201 R HN 0.164 nan 8.270 nan 0.000 0.442 202 L N -0.229 121.000 121.223 0.011 0.000 2.599 202 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 202 L C 0.935 177.792 176.870 -0.023 0.000 1.141 202 L CA 0.297 55.124 54.840 -0.022 0.000 0.877 202 L CB 0.068 42.086 42.059 -0.068 0.000 1.009 202 L HN 0.429 nan 8.230 nan 0.000 0.447 203 G N 0.903 109.706 108.800 0.006 0.000 2.198 203 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 203 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 203 G C -0.016 174.884 174.900 -0.000 0.000 1.042 203 G CA 0.053 45.161 45.100 0.012 0.000 0.791 203 G HN 0.266 nan 8.290 nan 0.000 0.502 204 L N -0.405 120.810 121.223 -0.013 0.000 2.334 204 L HA 0.594 4.934 4.340 -0.000 0.000 0.270 204 L C -1.737 175.173 176.870 0.066 0.000 1.018 204 L CA -2.617 52.200 54.840 -0.037 0.000 0.811 204 L CB 1.490 43.397 42.059 -0.252 0.000 1.271 204 L HN -0.101 nan 8.230 nan 0.000 0.443 205 P HA 0.209 nan 4.420 nan 0.000 0.273 205 P C -2.593 174.734 177.300 0.046 0.000 1.250 205 P CA -1.350 61.791 63.100 0.068 0.000 0.793 205 P CB -0.366 31.356 31.700 0.037 0.000 1.011 206 P HA 0.038 nan 4.420 nan 0.000 0.262 206 P C -1.955 175.060 177.300 -0.476 0.000 1.182 206 P CA -0.645 62.047 63.100 -0.680 0.000 0.761 206 P CB -0.749 30.492 31.700 -0.764 0.000 0.795 207 P HA 0.073 nan 4.420 nan 0.000 0.225 207 P C 0.625 177.945 177.300 0.033 0.000 1.768 207 P CA 0.159 63.110 63.100 -0.249 0.000 0.943 207 P CB -0.196 31.140 31.700 -0.607 0.000 1.936 208 L N 0.808 122.016 121.223 -0.026 0.000 2.191 208 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 208 L C 2.459 179.411 176.870 0.136 0.000 1.103 208 L CA 1.517 56.405 54.840 0.081 0.000 0.769 208 L CB -0.881 41.160 42.059 -0.029 0.000 0.908 208 L HN 0.269 nan 8.230 nan 0.000 0.438 209 E N -0.343 119.911 120.200 0.089 0.000 2.472 209 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 209 E C 1.205 177.874 176.600 0.115 0.000 1.046 209 E CA 1.029 57.395 56.400 -0.056 0.000 0.871 209 E CB -0.183 29.361 29.700 -0.260 0.000 0.806 209 E HN 0.542 nan 8.360 nan 0.000 0.533 210 Y N -0.117 120.439 120.300 0.427 0.000 2.457 210 Y HA 0.391 4.941 4.550 0.000 0.000 0.263 210 Y C 2.247 178.319 175.900 0.286 0.000 1.164 210 Y CA 0.190 58.585 58.100 0.491 0.000 1.274 210 Y CB 0.528 39.228 38.460 0.401 0.000 1.097 210 Y HN 0.197 nan 8.280 nan 0.000 0.523 211 A N 0.365 123.327 122.820 0.237 0.000 2.066 211 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 211 A C 1.793 179.303 177.584 -0.124 0.000 1.157 211 A CA 1.705 53.620 52.037 -0.204 0.000 0.670 211 A CB -0.428 18.440 19.000 -0.221 0.000 0.804 211 A HN 0.500 nan 8.150 nan 0.000 0.453 212 D N 0.771 121.186 120.400 0.025 0.000 2.097 212 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 212 D C 1.756 178.070 176.300 0.024 0.000 0.984 212 D CA 1.132 55.140 54.000 0.012 0.000 0.826 212 D CB -0.861 39.960 40.800 0.035 0.000 0.973 212 D HN 0.437 nan 8.370 nan 0.000 0.460 213 L N 0.416 121.705 121.223 0.109 0.000 2.012 213 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 213 L C 2.755 179.613 176.870 -0.020 0.000 1.073 213 L CA 1.422 56.282 54.840 0.034 0.000 0.748 213 L CB -0.603 41.456 42.059 -0.001 0.000 0.891 213 L HN 0.106 nan 8.230 nan 0.000 0.431 214 A N -0.088 122.703 122.820 -0.048 0.000 1.933 214 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 214 A C 2.524 180.019 177.584 -0.147 0.000 1.175 214 A CA 1.706 53.671 52.037 -0.121 0.000 0.628 214 A CB -0.675 18.107 19.000 -0.365 0.000 0.814 214 A HN 0.410 nan 8.150 nan 0.000 0.444 215 A N -0.584 122.134 122.820 -0.171 0.000 1.902 215 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 215 A C 2.221 179.750 177.584 -0.091 0.000 1.181 215 A CA 1.715 53.665 52.037 -0.144 0.000 0.623 215 A CB -0.918 18.003 19.000 -0.131 0.000 0.818 215 A HN 0.374 nan 8.150 nan 0.000 0.443 216 V N -0.053 119.817 119.914 -0.073 0.000 2.343 216 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 216 V C 2.799 178.860 176.094 -0.055 0.000 1.051 216 V CA 2.042 64.306 62.300 -0.059 0.000 1.036 216 V CB -1.381 30.408 31.823 -0.057 0.000 0.654 216 V HN 0.618 nan 8.190 nan 0.000 0.451 217 G N -0.752 108.015 108.800 -0.055 0.000 2.408 217 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 217 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 217 G C 1.687 176.548 174.900 -0.064 0.000 1.150 217 G CA 1.439 46.511 45.100 -0.047 0.000 0.776 217 G HN 0.469 nan 8.290 nan 0.000 0.542 218 T N 1.392 115.896 114.554 -0.084 0.000 2.708 218 T HA -0.072 4.279 4.350 -0.000 0.000 0.266 218 T C 2.381 177.025 174.700 -0.092 0.000 1.037 218 T CA 1.081 63.119 62.100 -0.104 0.000 1.146 218 T CB -0.163 68.643 68.868 -0.103 0.000 0.865 218 T HN 0.243 nan 8.240 nan 0.000 0.435 219 I N 1.257 121.783 120.570 -0.074 0.000 2.202 219 I HA -0.159 4.011 4.170 -0.000 0.000 0.242 219 I C 2.932 179.012 176.117 -0.061 0.000 1.091 219 I CA 1.090 62.355 61.300 -0.059 0.000 1.368 219 I CB -0.485 37.494 38.000 -0.035 0.000 1.058 219 I HN 0.189 nan 8.210 nan 0.000 0.410 220 A N 0.280 123.067 122.820 -0.055 0.000 1.978 220 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 220 A C 1.946 179.518 177.584 -0.021 0.000 1.170 220 A CA 2.320 54.328 52.037 -0.048 0.000 0.636 220 A CB -0.739 18.240 19.000 -0.035 0.000 0.810 220 A HN 0.494 nan 8.150 nan 0.000 0.448 221 D N -1.180 119.211 120.400 -0.015 0.000 2.348 221 D HA 0.031 4.671 4.640 -0.000 0.000 0.216 221 D C 0.529 176.828 176.300 -0.003 0.000 0.970 221 D CA 1.051 55.065 54.000 0.023 0.000 0.889 221 D CB -0.185 40.600 40.800 -0.023 0.000 0.912 221 D HN 0.208 nan 8.370 nan 0.000 0.524 222 V N -1.085 118.803 119.914 -0.044 0.000 5.658 222 V HA -0.261 3.859 4.120 -0.000 0.000 0.312 222 V C 0.589 176.631 176.094 -0.086 0.000 0.480 222 V CA 0.354 62.620 62.300 -0.057 0.000 0.684 222 V CB -2.897 28.908 31.823 -0.031 0.000 0.426 222 V HN 0.440 nan 8.190 nan 0.000 1.241 223 A N 0.161 122.907 122.820 -0.123 0.000 2.286 223 A HA 0.780 5.100 4.320 -0.000 0.000 0.286 223 A C -1.976 175.437 177.584 -0.285 0.000 1.097 223 A CA -1.573 50.356 52.037 -0.180 0.000 0.821 223 A CB 0.356 19.241 19.000 -0.191 0.000 1.076 223 A HN 0.365 nan 8.150 nan 0.000 0.490 224 P HA 0.127 nan 4.420 nan 0.000 0.267 224 P C -0.661 176.158 177.300 -0.802 0.000 1.209 224 P CA 0.333 62.886 63.100 -0.910 0.000 0.763 224 P CB 0.250 30.951 31.700 -1.664 0.000 0.816 225 L N 4.541 125.470 121.223 -0.489 0.000 2.480 225 L HA 0.239 4.579 4.340 -0.000 0.000 0.243 225 L C -0.345 176.538 176.870 0.022 0.000 1.315 225 L CA -0.251 54.471 54.840 -0.195 0.000 1.231 225 L CB -0.949 41.080 42.059 -0.051 0.000 1.444 225 L HN 0.521 nan 8.230 nan 0.000 0.409 226 W N -0.058 121.280 121.300 0.062 0.000 3.029 226 W HA 0.792 5.452 4.660 -0.000 0.000 0.339 226 W C 0.614 177.162 176.519 0.047 0.000 1.198 226 W CA -0.592 56.782 57.345 0.048 0.000 1.148 226 W CB -0.111 29.345 29.460 -0.005 0.000 1.451 226 W HN 0.292 nan 8.180 nan 0.000 0.564 227 G N 0.968 109.974 108.800 0.343 0.000 2.634 227 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.309 227 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.309 227 G C 0.623 175.664 174.900 0.234 0.000 1.265 227 G CA 1.209 46.462 45.100 0.255 0.000 0.998 227 G HN 1.219 nan 8.290 nan 0.000 0.551 228 W N 1.953 123.310 121.300 0.094 0.000 2.321 228 W HA -0.124 4.536 4.660 0.000 0.000 0.306 228 W C 2.764 179.307 176.519 0.040 0.000 1.217 228 W CA 2.545 59.929 57.345 0.066 0.000 1.257 228 W CB -0.340 29.148 29.460 0.046 0.000 1.145 228 W HN 0.466 nan 8.180 nan 0.000 0.509 229 N N 0.095 118.933 118.700 0.230 0.000 2.166 229 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 229 N C 1.829 177.273 175.510 -0.109 0.000 1.019 229 N CA 1.863 54.920 53.050 0.013 0.000 0.856 229 N CB -0.829 37.654 38.487 -0.007 0.000 0.993 229 N HN 0.336 nan 8.380 nan 0.000 0.426 230 R N 0.835 121.326 120.500 -0.015 0.000 2.081 230 R HA -0.028 4.312 4.340 -0.000 0.000 0.235 230 R C 1.936 178.188 176.300 -0.080 0.000 1.131 230 R CA 1.500 57.601 56.100 0.000 0.000 0.960 230 R CB -0.224 30.154 30.300 0.129 0.000 0.856 230 R HN 0.150 nan 8.270 nan 0.000 0.436 231 A N 1.244 123.985 122.820 -0.131 0.000 1.930 231 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 231 A C 2.070 179.469 177.584 -0.308 0.000 1.175 231 A CA 1.204 53.132 52.037 -0.182 0.000 0.627 231 A CB -0.548 18.344 19.000 -0.181 0.000 0.815 231 A HN 0.414 nan 8.150 nan 0.000 0.443 232 L N -0.199 120.701 121.223 -0.539 0.000 2.027 232 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 232 L C 2.360 179.010 176.870 -0.366 0.000 1.074 232 L CA 1.860 56.325 54.840 -0.625 0.000 0.745 232 L CB -0.453 41.008 42.059 -0.997 0.000 0.898 232 L HN 0.135 nan 8.230 nan 0.000 0.433 233 V N -0.205 119.550 119.914 -0.265 0.000 2.343 233 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 233 V C 2.581 178.608 176.094 -0.111 0.000 1.051 233 V CA 2.067 64.272 62.300 -0.158 0.000 1.036 233 V CB -0.642 31.117 31.823 -0.107 0.000 0.654 233 V HN 0.464 nan 8.190 nan 0.000 0.451 234 K N -0.128 120.209 120.400 -0.106 0.000 2.032 234 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 234 K C 2.210 178.767 176.600 -0.072 0.000 1.048 234 K CA 1.889 58.133 56.287 -0.072 0.000 0.927 234 K CB -0.216 32.248 32.500 -0.061 0.000 0.712 234 K HN 0.385 nan 8.250 nan 0.000 0.441 235 E N 0.415 120.552 120.200 -0.104 0.000 2.031 235 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 235 E C 2.007 178.556 176.600 -0.085 0.000 0.994 235 E CA 1.873 58.217 56.400 -0.092 0.000 0.800 235 E CB -0.582 29.048 29.700 -0.117 0.000 0.752 235 E HN 0.320 nan 8.360 nan 0.000 0.447 236 G N 0.489 109.218 108.800 -0.119 0.000 2.402 236 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 236 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 236 G C 1.624 176.504 174.900 -0.032 0.000 1.162 236 G CA 0.847 45.893 45.100 -0.091 0.000 0.777 236 G HN 0.293 nan 8.290 nan 0.000 0.539 237 L N 0.656 121.878 121.223 -0.001 0.000 2.083 237 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 237 L C 3.357 180.306 176.870 0.131 0.000 1.083 237 L CA 0.975 55.881 54.840 0.109 0.000 0.752 237 L CB -0.359 41.767 42.059 0.113 0.000 0.899 237 L HN 0.316 nan 8.230 nan 0.000 0.433 238 A N 0.119 122.964 122.820 0.042 0.000 1.969 238 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 238 A C 2.323 179.918 177.584 0.018 0.000 1.169 238 A CA 1.193 53.247 52.037 0.027 0.000 0.635 238 A CB -0.345 18.649 19.000 -0.010 0.000 0.810 238 A HN 0.364 nan 8.150 nan 0.000 0.445 239 R N -0.778 119.717 120.500 -0.009 0.000 2.246 239 R HA 0.232 4.572 4.340 -0.000 0.000 0.199 239 R C 1.663 177.928 176.300 -0.058 0.000 0.984 239 R CA 0.564 56.634 56.100 -0.049 0.000 1.015 239 R CB -0.289 29.964 30.300 -0.077 0.000 0.930 239 R HN 0.516 nan 8.270 nan 0.000 0.475 240 I N 1.582 122.135 120.570 -0.028 0.000 2.163 240 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 240 I C -0.793 175.294 176.117 -0.050 0.000 1.085 240 I CA 1.435 62.680 61.300 -0.092 0.000 1.347 240 I CB -0.939 36.888 38.000 -0.289 0.000 1.044 240 I HN 0.036 nan 8.210 nan 0.000 0.408 241 P HA -0.153 nan 4.420 nan 0.000 0.219 241 P C 0.321 177.614 177.300 -0.012 0.000 1.146 241 P CA 1.417 64.558 63.100 0.068 0.000 0.808 241 P CB 0.075 31.841 31.700 0.110 0.000 0.779 242 A N -1.576 121.211 122.820 -0.055 0.000 2.705 242 A HA 0.320 4.640 4.320 -0.000 0.000 0.294 242 A C 0.566 178.043 177.584 -0.178 0.000 1.039 242 A CA -0.180 51.799 52.037 -0.097 0.000 1.005 242 A CB -0.549 18.399 19.000 -0.086 0.000 1.192 242 A HN 0.027 nan 8.150 nan 0.000 0.513 243 S N -0.338 115.244 115.700 -0.197 0.000 2.554 243 S HA 0.056 4.526 4.470 -0.000 0.000 0.290 243 S C 1.420 175.710 174.600 -0.516 0.000 1.309 243 S CA 0.603 58.593 58.200 -0.350 0.000 1.047 243 S CB 0.474 63.529 63.200 -0.242 0.000 0.828 243 S HN 0.525 nan 8.310 nan 0.000 0.509 244 S N 3.106 118.205 115.700 -1.002 0.000 2.522 244 S HA 0.054 4.524 4.470 -0.000 0.000 0.227 244 S C -0.266 173.835 174.600 -0.832 0.000 0.986 244 S CA 0.302 57.848 58.200 -1.090 0.000 0.929 244 S CB -0.105 62.077 63.200 -1.696 0.000 0.769 244 S HN 0.775 nan 8.310 nan 0.000 0.529 245 W N 0.576 121.813 121.300 -0.106 0.000 2.298 245 W HA 0.537 5.197 4.660 0.000 0.000 0.327 245 W C 1.006 177.485 176.519 -0.067 0.000 0.988 245 W CA -0.851 56.445 57.345 -0.082 0.000 1.448 245 W CB 0.221 29.630 29.460 -0.085 0.000 1.243 245 W HN -0.245 nan 8.180 nan 0.000 0.388 246 V N 3.827 123.799 119.914 0.098 0.000 2.453 246 V HA -0.242 3.878 4.120 -0.000 0.000 0.252 246 V C 2.028 178.145 176.094 0.038 0.000 1.068 246 V CA 2.839 65.159 62.300 0.034 0.000 1.070 246 V CB -0.549 31.286 31.823 0.020 0.000 0.664 246 V HN 0.855 nan 8.190 nan 0.000 0.461 247 G N -0.645 108.194 108.800 0.065 0.000 2.408 247 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 247 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 247 G C 1.480 176.391 174.900 0.018 0.000 1.150 247 G CA 1.050 46.168 45.100 0.030 0.000 0.776 247 G HN 0.517 nan 8.290 nan 0.000 0.542 248 L N 0.586 121.842 121.223 0.056 0.000 2.072 248 L HA 0.186 4.526 4.340 -0.000 0.000 0.205 248 L C 2.714 179.566 176.870 -0.031 0.000 1.079 248 L CA 1.997 56.849 54.840 0.021 0.000 0.752 248 L CB -0.622 41.492 42.059 0.091 0.000 0.906 248 L HN 0.246 nan 8.230 nan 0.000 0.436 249 R N -0.908 119.579 120.500 -0.022 0.000 2.083 249 R HA -0.192 4.148 4.340 -0.000 0.000 0.237 249 R C 2.191 178.474 176.300 -0.028 0.000 1.137 249 R CA 1.910 57.983 56.100 -0.047 0.000 0.951 249 R CB -0.416 29.856 30.300 -0.047 0.000 0.851 249 R HN 0.355 nan 8.270 nan 0.000 0.434 250 L N 0.779 121.992 121.223 -0.016 0.000 2.093 250 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 250 L C 2.204 179.069 176.870 -0.009 0.000 1.085 250 L CA 1.225 56.060 54.840 -0.008 0.000 0.755 250 L CB -0.723 41.329 42.059 -0.013 0.000 0.904 250 L HN 0.294 nan 8.230 nan 0.000 0.435 251 L N -0.566 120.641 121.223 -0.027 0.000 2.046 251 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 251 L C 2.498 179.372 176.870 0.007 0.000 1.077 251 L CA 2.034 56.860 54.840 -0.023 0.000 0.747 251 L CB -1.068 40.965 42.059 -0.042 0.000 0.896 251 L HN 0.199 nan 8.230 nan 0.000 0.432 252 A N -0.560 122.233 122.820 -0.045 0.000 1.883 252 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 252 A C 2.147 179.773 177.584 0.070 0.000 1.186 252 A CA 1.949 53.946 52.037 -0.067 0.000 0.624 252 A CB -0.705 18.130 19.000 -0.276 0.000 0.822 252 A HN 0.626 nan 8.150 nan 0.000 0.444 253 E N -0.233 120.004 120.200 0.061 0.000 2.110 253 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 253 E C 2.292 178.946 176.600 0.090 0.000 0.988 253 E CA 0.854 57.305 56.400 0.085 0.000 0.804 253 E CB -0.339 29.394 29.700 0.055 0.000 0.745 253 E HN 0.620 nan 8.360 nan 0.000 0.458 254 A N 1.396 124.275 122.820 0.098 0.000 1.948 254 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 254 A C 2.414 180.074 177.584 0.128 0.000 1.177 254 A CA 1.799 53.925 52.037 0.148 0.000 0.636 254 A CB -0.701 18.456 19.000 0.261 0.000 0.815 254 A HN 0.257 nan 8.150 nan 0.000 0.449 255 V N -3.827 116.164 119.914 0.128 0.000 3.633 255 V HA 0.540 4.660 4.120 -0.000 0.000 0.283 255 V C 1.151 177.306 176.094 0.102 0.000 1.305 255 V CA 0.534 62.896 62.300 0.103 0.000 1.153 255 V CB -0.939 30.955 31.823 0.117 0.000 0.950 255 V HN 1.608 nan 8.190 nan 0.000 0.432 256 G N -0.086 108.777 108.800 0.106 0.000 2.198 256 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 256 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 256 G C -0.099 174.875 174.900 0.124 0.000 1.042 256 G CA 0.314 45.468 45.100 0.091 0.000 0.791 256 G HN 1.015 nan 8.290 nan 0.000 0.502 257 Y N 1.080 121.395 120.300 0.025 0.000 2.811 257 Y HA 0.259 4.809 4.550 0.000 0.000 0.334 257 Y C 1.662 177.571 175.900 0.015 0.000 1.247 257 Y CA 1.644 59.758 58.100 0.023 0.000 1.526 257 Y CB 0.818 39.290 38.460 0.020 0.000 1.284 257 Y HN 0.476 nan 8.280 nan 0.000 0.586 258 T N 1.330 115.546 114.554 -0.564 0.000 3.337 258 T HA 0.374 4.724 4.350 -0.000 0.000 0.299 258 T C 0.751 175.048 174.700 -0.671 0.000 0.998 258 T CA 0.027 61.848 62.100 -0.465 0.000 0.948 258 T CB -0.134 68.609 68.868 -0.208 0.000 1.170 258 T HN 1.363 nan 8.240 nan 0.000 0.508 259 G N 1.629 109.529 108.800 -1.500 0.000 2.157 259 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.239 259 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.239 259 G C -0.163 174.541 174.900 -0.327 0.000 0.982 259 G CA -0.334 44.279 45.100 -0.811 0.000 0.650 259 G HN 0.588 nan 8.290 nan 0.000 0.527 260 K N 0.234 120.458 120.400 -0.294 0.000 2.130 260 K HA 0.765 5.085 4.320 -0.000 0.000 0.268 260 K C 1.381 178.055 176.600 0.123 0.000 0.983 260 K CA -0.040 56.227 56.287 -0.032 0.000 0.893 260 K CB 1.393 33.887 32.500 -0.011 0.000 1.066 260 K HN 0.368 nan 8.250 nan 0.000 0.450 261 A N 2.523 125.408 122.820 0.107 0.000 1.972 261 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 261 A C 1.930 179.611 177.584 0.162 0.000 1.169 261 A CA 1.549 53.660 52.037 0.124 0.000 0.635 261 A CB -0.383 18.666 19.000 0.082 0.000 0.810 261 A HN 0.456 nan 8.150 nan 0.000 0.446 262 V N 0.257 120.281 119.914 0.183 0.000 2.490 262 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 262 V C 2.145 178.414 176.094 0.292 0.000 1.061 262 V CA 2.624 65.082 62.300 0.263 0.000 1.064 262 V CB -0.564 31.376 31.823 0.195 0.000 0.670 262 V HN 0.731 nan 8.190 nan 0.000 0.461 263 E N -0.570 119.763 120.200 0.221 0.000 2.107 263 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 263 E C 2.200 178.937 176.600 0.228 0.000 0.982 263 E CA 1.365 57.906 56.400 0.234 0.000 0.809 263 E CB -0.126 29.722 29.700 0.247 0.000 0.756 263 E HN 0.550 nan 8.360 nan 0.000 0.459 264 V N 1.471 121.508 119.914 0.206 0.000 2.295 264 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 264 V C 2.341 178.466 176.094 0.052 0.000 1.049 264 V CA 1.893 64.254 62.300 0.102 0.000 1.024 264 V CB -0.698 31.166 31.823 0.069 0.000 0.648 264 V HN 0.323 nan 8.190 nan 0.000 0.447 265 A N -0.762 122.093 122.820 0.059 0.000 1.902 265 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 265 A C 1.942 179.364 177.584 -0.270 0.000 1.181 265 A CA 1.910 53.885 52.037 -0.103 0.000 0.623 265 A CB -0.560 18.386 19.000 -0.090 0.000 0.818 265 A HN 0.526 nan 8.150 nan 0.000 0.443 266 F N -1.703 118.264 119.950 0.029 0.000 2.731 266 F HA 0.244 4.771 4.527 0.000 0.000 0.298 266 F C 2.416 178.228 175.800 0.021 0.000 1.106 266 F CA 0.396 58.407 58.000 0.019 0.000 1.329 266 F CB 0.348 39.358 39.000 0.016 0.000 1.100 266 F HN 0.048 nan 8.300 nan 0.000 0.592 267 R N -0.849 119.753 120.500 0.171 0.000 2.320 267 R HA 0.287 4.627 4.340 -0.000 0.000 0.193 267 R C 1.827 178.173 176.300 0.078 0.000 0.885 267 R CA 0.350 56.523 56.100 0.121 0.000 1.085 267 R CB 0.114 30.494 30.300 0.134 0.000 1.253 267 R HN 0.171 nan 8.270 nan 0.000 0.636 268 I N 0.929 121.534 120.570 0.059 0.000 2.270 268 I HA -0.072 4.098 4.170 -0.000 0.000 0.239 268 I C 2.524 178.637 176.117 -0.007 0.000 1.080 268 I CA 1.144 62.456 61.300 0.019 0.000 1.383 268 I CB -0.350 37.640 38.000 -0.017 0.000 1.097 268 I HN 0.130 nan 8.210 nan 0.000 0.420 269 A N 1.434 124.240 122.820 -0.024 0.000 1.908 269 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 269 A C -0.052 177.502 177.584 -0.049 0.000 1.181 269 A CA 1.789 53.799 52.037 -0.045 0.000 0.627 269 A CB -1.933 17.028 19.000 -0.064 0.000 0.818 269 A HN 0.269 nan 8.150 nan 0.000 0.445 270 P HA -0.127 nan 4.420 nan 0.000 0.218 270 P C 1.436 178.720 177.300 -0.027 0.000 1.148 270 P CA 1.230 64.303 63.100 -0.045 0.000 0.822 270 P CB -0.027 31.655 31.700 -0.031 0.000 0.784 271 R N -0.727 119.772 120.500 -0.002 0.000 2.075 271 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 271 R C 2.271 178.557 176.300 -0.024 0.000 1.126 271 R CA 1.218 57.324 56.100 0.011 0.000 0.963 271 R CB -1.267 29.063 30.300 0.049 0.000 0.858 271 R HN 0.199 nan 8.270 nan 0.000 0.435 272 I N 0.685 121.233 120.570 -0.035 0.000 2.252 272 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 272 I C 1.421 177.497 176.117 -0.069 0.000 1.102 272 I CA 1.089 62.358 61.300 -0.051 0.000 1.385 272 I CB -0.321 37.649 38.000 -0.050 0.000 1.064 272 I HN 0.190 nan 8.210 nan 0.000 0.414 273 N N 1.220 119.876 118.700 -0.073 0.000 2.244 273 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 273 N C 1.887 177.329 175.510 -0.115 0.000 1.016 273 N CA 1.465 54.453 53.050 -0.103 0.000 0.866 273 N CB -0.326 38.103 38.487 -0.097 0.000 0.980 273 N HN 0.339 nan 8.380 nan 0.000 0.430 274 A N 1.017 123.785 122.820 -0.088 0.000 1.933 274 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 274 A C 2.373 179.902 177.584 -0.091 0.000 1.175 274 A CA 1.808 53.791 52.037 -0.090 0.000 0.628 274 A CB -0.711 18.252 19.000 -0.061 0.000 0.814 274 A HN 0.307 nan 8.150 nan 0.000 0.444 275 A N -0.760 122.013 122.820 -0.077 0.000 1.877 275 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 275 A C 2.512 180.044 177.584 -0.086 0.000 1.186 275 A CA 2.257 54.253 52.037 -0.069 0.000 0.620 275 A CB -0.967 17.996 19.000 -0.061 0.000 0.822 275 A HN 0.588 nan 8.150 nan 0.000 0.443 276 S N -0.531 115.100 115.700 -0.115 0.000 2.355 276 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 276 S C 2.149 176.646 174.600 -0.172 0.000 1.031 276 S CA 1.330 59.440 58.200 -0.151 0.000 0.993 276 S CB -0.334 62.741 63.200 -0.208 0.000 0.859 276 S HN 0.599 nan 8.310 nan 0.000 0.453 277 R N -0.010 120.376 120.500 -0.189 0.000 2.159 277 R HA 0.019 4.359 4.340 -0.000 0.000 0.237 277 R C 1.151 177.380 176.300 -0.118 0.000 1.131 277 R CA 0.952 56.944 56.100 -0.180 0.000 0.982 277 R CB -0.260 29.931 30.300 -0.182 0.000 0.868 277 R HN 0.302 nan 8.270 nan 0.000 0.453 278 L N -0.388 120.775 121.223 -0.101 0.000 2.653 278 L HA 0.276 4.616 4.340 -0.000 0.000 0.231 278 L C 0.942 177.815 176.870 0.005 0.000 1.153 278 L CA 0.757 55.569 54.840 -0.047 0.000 0.933 278 L CB 0.219 42.237 42.059 -0.070 0.000 1.175 278 L HN 0.423 nan 8.230 nan 0.000 0.473 279 G N -0.134 108.656 108.800 -0.017 0.000 2.143 279 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 279 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 279 G C 0.602 175.489 174.900 -0.021 0.000 0.991 279 G CA 0.284 45.377 45.100 -0.012 0.000 0.689 279 G HN 0.461 nan 8.290 nan 0.000 0.522 280 E N -0.530 119.649 120.200 -0.034 0.000 3.385 280 E HA 0.533 4.883 4.350 -0.000 0.000 0.206 280 E C 1.806 178.381 176.600 -0.043 0.000 0.997 280 E CA 0.173 56.554 56.400 -0.032 0.000 1.278 280 E CB 0.303 29.988 29.700 -0.025 0.000 1.165 280 E HN 0.482 nan 8.360 nan 0.000 0.452 281 A N 1.005 123.794 122.820 -0.051 0.000 1.978 281 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 281 A C 1.817 179.375 177.584 -0.044 0.000 1.170 281 A CA 1.567 53.570 52.037 -0.058 0.000 0.636 281 A CB -0.186 18.775 19.000 -0.066 0.000 0.810 281 A HN 0.199 nan 8.150 nan 0.000 0.448 282 E N 0.301 120.481 120.200 -0.034 0.000 2.085 282 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 282 E C 1.821 178.407 176.600 -0.023 0.000 0.994 282 E CA 1.542 57.928 56.400 -0.023 0.000 0.801 282 E CB -0.297 29.394 29.700 -0.014 0.000 0.743 282 E HN 0.463 nan 8.360 nan 0.000 0.453 283 K N 0.700 121.083 120.400 -0.027 0.000 2.032 283 K HA -0.049 4.271 4.320 -0.000 0.000 0.209 283 K C 2.024 178.603 176.600 -0.036 0.000 1.048 283 K CA 1.594 57.864 56.287 -0.029 0.000 0.927 283 K CB -0.751 31.730 32.500 -0.032 0.000 0.712 283 K HN 0.210 nan 8.250 nan 0.000 0.441 284 A N 0.367 123.162 122.820 -0.043 0.000 1.873 284 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 284 A C 2.115 179.674 177.584 -0.043 0.000 1.186 284 A CA 1.402 53.411 52.037 -0.047 0.000 0.616 284 A CB -0.721 18.247 19.000 -0.055 0.000 0.823 284 A HN 0.258 nan 8.150 nan 0.000 0.442 285 L N -0.157 121.042 121.223 -0.040 0.000 2.012 285 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 285 L C 2.399 179.251 176.870 -0.030 0.000 1.073 285 L CA 2.585 57.402 54.840 -0.038 0.000 0.748 285 L CB -0.665 41.376 42.059 -0.029 0.000 0.891 285 L HN 0.392 nan 8.230 nan 0.000 0.431 286 R N -0.443 120.045 120.500 -0.021 0.000 2.105 286 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 286 R C 2.158 178.449 176.300 -0.015 0.000 1.135 286 R CA 1.890 57.983 56.100 -0.012 0.000 0.967 286 R CB -1.101 29.195 30.300 -0.007 0.000 0.861 286 R HN 0.480 nan 8.270 nan 0.000 0.442 287 L N 0.019 121.228 121.223 -0.023 0.000 2.079 287 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 287 L C 1.705 178.568 176.870 -0.012 0.000 1.081 287 L CA 1.731 56.558 54.840 -0.022 0.000 0.752 287 L CB -0.220 41.817 42.059 -0.038 0.000 0.896 287 L HN 0.285 nan 8.230 nan 0.000 0.433 288 L N -1.527 119.679 121.223 -0.028 0.000 2.418 288 L HA -0.068 4.272 4.340 -0.000 0.000 0.218 288 L C 2.041 178.873 176.870 -0.062 0.000 1.125 288 L CA 0.460 55.273 54.840 -0.045 0.000 0.835 288 L CB -0.273 41.737 42.059 -0.082 0.000 0.953 288 L HN 0.298 nan 8.230 nan 0.000 0.454 289 L N -1.543 119.658 121.223 -0.037 0.000 2.463 289 L HA 0.096 4.436 4.340 -0.000 0.000 0.219 289 L C 1.347 178.230 176.870 0.022 0.000 1.088 289 L CA 0.023 54.847 54.840 -0.027 0.000 0.849 289 L CB 0.095 42.143 42.059 -0.019 0.000 1.012 289 L HN 0.075 nan 8.230 nan 0.000 0.468 290 T N -0.673 113.900 114.554 0.030 0.000 2.899 290 T HA 0.045 4.395 4.350 -0.000 0.000 0.295 290 T C 0.402 175.144 174.700 0.069 0.000 1.033 290 T CA -0.196 61.930 62.100 0.043 0.000 1.084 290 T CB 0.855 69.739 68.868 0.026 0.000 0.979 290 T HN 0.064 nan 8.240 nan 0.000 0.532 291 D N 1.364 121.803 120.400 0.064 0.000 2.469 291 D HA 0.136 4.776 4.640 -0.000 0.000 0.213 291 D C -0.273 176.050 176.300 0.039 0.000 1.135 291 D CA -0.125 53.915 54.000 0.068 0.000 0.834 291 D CB 0.359 41.203 40.800 0.073 0.000 1.009 291 D HN 0.530 nan 8.370 nan 0.000 0.507 292 D N 0.809 121.228 120.400 0.031 0.000 2.347 292 D HA 0.258 4.898 4.640 -0.000 0.000 0.235 292 D C 1.159 177.467 176.300 0.014 0.000 1.149 292 D CA -0.342 53.669 54.000 0.019 0.000 0.850 292 D CB 1.471 42.280 40.800 0.016 0.000 1.061 292 D HN -0.055 nan 8.370 nan 0.000 0.487 293 A N 4.101 126.926 122.820 0.009 0.000 1.933 293 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 293 A C 2.070 179.654 177.584 0.000 0.000 1.175 293 A CA 1.813 53.852 52.037 0.004 0.000 0.628 293 A CB -0.447 18.553 19.000 0.000 0.000 0.814 293 A HN 0.642 nan 8.150 nan 0.000 0.444 294 A N -0.367 122.454 122.820 0.001 0.000 1.898 294 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 294 A C 2.057 179.639 177.584 -0.003 0.000 1.181 294 A CA 1.708 53.745 52.037 -0.001 0.000 0.620 294 A CB -0.494 18.507 19.000 0.001 0.000 0.819 294 A HN 0.677 nan 8.150 nan 0.000 0.442 295 E N -0.011 120.189 120.200 -0.000 0.000 2.072 295 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 295 E C 2.128 178.723 176.600 -0.009 0.000 0.985 295 E CA 0.998 57.396 56.400 -0.003 0.000 0.801 295 E CB -0.262 29.439 29.700 0.003 0.000 0.750 295 E HN 0.500 nan 8.360 nan 0.000 0.452 296 A N 1.290 124.106 122.820 -0.006 0.000 1.877 296 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 296 A C 2.198 179.764 177.584 -0.030 0.000 1.186 296 A CA 1.844 53.873 52.037 -0.014 0.000 0.620 296 A CB -0.816 18.183 19.000 -0.002 0.000 0.822 296 A HN 0.468 nan 8.150 nan 0.000 0.443 297 Q N -0.483 119.304 119.800 -0.022 0.000 2.077 297 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 297 Q C 2.203 178.180 176.000 -0.038 0.000 0.989 297 Q CA 2.095 57.882 55.803 -0.027 0.000 0.853 297 Q CB -0.396 28.335 28.738 -0.011 0.000 0.907 297 Q HN 0.606 nan 8.270 nan 0.000 0.418 298 A N 0.657 123.461 122.820 -0.027 0.000 1.908 298 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 298 A C 2.076 179.633 177.584 -0.045 0.000 1.181 298 A CA 1.443 53.464 52.037 -0.027 0.000 0.627 298 A CB -0.750 18.240 19.000 -0.015 0.000 0.818 298 A HN 0.473 nan 8.150 nan 0.000 0.445 299 L N -0.695 120.498 121.223 -0.050 0.000 2.093 299 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 299 L C 2.503 179.305 176.870 -0.114 0.000 1.085 299 L CA 0.841 55.643 54.840 -0.063 0.000 0.755 299 L CB -0.501 41.529 42.059 -0.049 0.000 0.904 299 L HN 0.242 nan 8.230 nan 0.000 0.435 300 V N 0.253 120.077 119.914 -0.150 0.000 2.343 300 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 300 V C 2.626 178.461 176.094 -0.431 0.000 1.051 300 V CA 2.068 64.191 62.300 -0.297 0.000 1.036 300 V CB -1.200 30.469 31.823 -0.256 0.000 0.654 300 V HN 0.581 nan 8.190 nan 0.000 0.451 301 G N -0.698 107.973 108.800 -0.215 0.000 2.440 301 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 301 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 301 G C 1.497 176.364 174.900 -0.054 0.000 1.154 301 G CA 1.137 46.182 45.100 -0.090 0.000 0.767 301 G HN 0.535 nan 8.290 nan 0.000 0.552 302 E N 0.210 120.371 120.200 -0.066 0.000 2.051 302 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 302 E C 2.599 179.177 176.600 -0.037 0.000 0.991 302 E CA 0.662 57.040 56.400 -0.036 0.000 0.799 302 E CB -0.338 29.339 29.700 -0.037 0.000 0.748 302 E HN 0.402 nan 8.360 nan 0.000 0.449 303 L N -0.304 120.869 121.223 -0.085 0.000 2.083 303 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 303 L C 2.313 179.200 176.870 0.029 0.000 1.083 303 L CA 1.692 56.498 54.840 -0.057 0.000 0.752 303 L CB -0.780 41.223 42.059 -0.093 0.000 0.899 303 L HN 0.387 nan 8.230 nan 0.000 0.433 304 H N -0.873 118.190 119.070 -0.012 0.000 2.387 304 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 304 H C 2.524 177.845 175.328 -0.011 0.000 1.090 304 H CA 0.955 56.998 56.048 -0.009 0.000 1.332 304 H CB 0.155 29.915 29.762 -0.003 0.000 1.386 304 H HN 0.199 nan 8.280 nan 0.000 0.516 305 R N 0.916 121.485 120.500 0.116 0.000 2.075 305 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 305 R C 2.153 178.469 176.300 0.028 0.000 1.126 305 R CA 0.895 57.028 56.100 0.056 0.000 0.963 305 R CB -0.121 30.201 30.300 0.036 0.000 0.858 305 R HN 0.280 nan 8.270 nan 0.000 0.435 306 L N 0.712 121.944 121.223 0.016 0.000 2.046 306 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 306 L C 2.247 179.109 176.870 -0.014 0.000 1.077 306 L CA 1.478 56.313 54.840 -0.008 0.000 0.747 306 L CB -0.495 41.551 42.059 -0.021 0.000 0.896 306 L HN 0.268 nan 8.230 nan 0.000 0.432 307 N N 0.031 118.735 118.700 0.008 0.000 2.166 307 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 307 N C 1.752 177.259 175.510 -0.005 0.000 1.019 307 N CA 1.299 54.350 53.050 0.002 0.000 0.856 307 N CB 0.000 38.508 38.487 0.035 0.000 0.993 307 N HN 0.291 nan 8.380 nan 0.000 0.426 308 A N 0.118 122.941 122.820 0.006 0.000 1.969 308 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 308 A C 2.202 179.778 177.584 -0.012 0.000 1.169 308 A CA 1.296 53.331 52.037 -0.003 0.000 0.635 308 A CB -0.514 18.489 19.000 0.004 0.000 0.810 308 A HN 0.277 nan 8.150 nan 0.000 0.445 309 R N 0.081 120.571 120.500 -0.015 0.000 2.066 309 R HA -0.052 4.288 4.340 -0.000 0.000 0.232 309 R C 2.283 178.553 176.300 -0.050 0.000 1.131 309 R CA 1.732 57.817 56.100 -0.025 0.000 0.955 309 R CB -0.626 29.661 30.300 -0.022 0.000 0.851 309 R HN 0.405 nan 8.270 nan 0.000 0.432 310 R N 0.813 121.272 120.500 -0.069 0.000 2.091 310 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 310 R C 1.976 178.235 176.300 -0.068 0.000 1.136 310 R CA 2.231 58.271 56.100 -0.100 0.000 0.959 310 R CB -0.367 29.874 30.300 -0.098 0.000 0.856 310 R HN 0.497 nan 8.270 nan 0.000 0.437 311 Q N -0.804 118.970 119.800 -0.043 0.000 2.084 311 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 311 Q C 2.061 178.046 176.000 -0.025 0.000 0.978 311 Q CA 2.334 58.120 55.803 -0.029 0.000 0.844 311 Q CB -0.065 28.662 28.738 -0.019 0.000 0.898 311 Q HN 0.400 nan 8.270 nan 0.000 0.426 312 T N 1.292 115.833 114.554 -0.023 0.000 2.674 312 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 312 T C 1.873 176.564 174.700 -0.015 0.000 1.039 312 T CA 1.000 63.092 62.100 -0.015 0.000 1.150 312 T CB -0.283 68.580 68.868 -0.010 0.000 0.864 312 T HN 0.160 nan 8.240 nan 0.000 0.427 313 L N 0.757 121.965 121.223 -0.024 0.000 2.017 313 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 313 L C 2.845 179.703 176.870 -0.020 0.000 1.073 313 L CA 1.582 56.410 54.840 -0.019 0.000 0.745 313 L CB -0.562 41.472 42.059 -0.042 0.000 0.894 313 L HN 0.368 nan 8.230 nan 0.000 0.432 314 E N 0.327 120.506 120.200 -0.035 0.000 2.058 314 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 314 E C 2.055 178.648 176.600 -0.013 0.000 0.997 314 E CA 1.585 57.968 56.400 -0.027 0.000 0.801 314 E CB 0.099 29.779 29.700 -0.034 0.000 0.746 314 E HN 0.331 nan 8.360 nan 0.000 0.450 315 E N 0.226 120.419 120.200 -0.012 0.000 2.077 315 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 315 E C 1.749 178.348 176.600 -0.002 0.000 0.989 315 E CA 1.408 57.804 56.400 -0.007 0.000 0.800 315 E CB -0.299 29.396 29.700 -0.008 0.000 0.746 315 E HN 0.375 nan 8.360 nan 0.000 0.452 316 A N 0.338 123.157 122.820 -0.001 0.000 1.933 316 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 316 A C 2.270 179.858 177.584 0.006 0.000 1.175 316 A CA 1.697 53.736 52.037 0.003 0.000 0.628 316 A CB -0.567 18.436 19.000 0.005 0.000 0.814 316 A HN 0.425 nan 8.150 nan 0.000 0.444 317 M N -0.696 118.907 119.600 0.005 0.000 2.099 317 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 317 M C 2.046 178.353 176.300 0.011 0.000 1.067 317 M CA 1.550 56.855 55.300 0.008 0.000 1.124 317 M CB -0.142 32.463 32.600 0.009 0.000 1.353 317 M HN 0.416 nan 8.290 nan 0.000 0.410 318 L N 0.431 121.659 121.223 0.009 0.000 2.046 318 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 318 L C 2.389 179.268 176.870 0.014 0.000 1.077 318 L CA 1.920 56.768 54.840 0.013 0.000 0.747 318 L CB -0.943 41.120 42.059 0.008 0.000 0.896 318 L HN 0.457 nan 8.230 nan 0.000 0.432 319 R N 0.236 120.742 120.500 0.010 0.000 2.091 319 R HA -0.244 4.096 4.340 -0.000 0.000 0.238 319 R C 2.437 178.746 176.300 0.014 0.000 1.136 319 R CA 2.032 58.139 56.100 0.011 0.000 0.959 319 R CB -0.176 30.129 30.300 0.008 0.000 0.856 319 R HN 0.347 nan 8.270 nan 0.000 0.437 320 K N -0.210 120.198 120.400 0.013 0.000 2.103 320 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 320 K C 1.730 178.343 176.600 0.020 0.000 1.052 320 K CA 0.896 57.191 56.287 0.014 0.000 0.945 320 K CB 0.142 32.647 32.500 0.009 0.000 0.722 320 K HN 0.114 nan 8.250 nan 0.000 0.443 321 L N 0.895 122.133 121.223 0.024 0.000 2.168 321 L HA -0.015 4.325 4.340 -0.000 0.000 0.203 321 L C 2.133 179.029 176.870 0.043 0.000 1.078 321 L CA 0.827 55.689 54.840 0.036 0.000 0.780 321 L CB -0.899 41.184 42.059 0.041 0.000 0.939 321 L HN 0.178 nan 8.230 nan 0.000 0.451 322 L N 0.882 122.128 121.223 0.037 0.000 2.081 322 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 322 L C -0.649 176.244 176.870 0.039 0.000 1.080 322 L CA 2.094 56.957 54.840 0.038 0.000 0.754 322 L CB -1.561 40.516 42.059 0.029 0.000 0.893 322 L HN 0.170 nan 8.230 nan 0.000 0.433 323 P HA -0.105 nan 4.420 nan 0.000 0.230 323 P C 0.067 177.391 177.300 0.040 0.000 1.158 323 P CA 0.920 64.041 63.100 0.034 0.000 0.769 323 P CB 0.056 31.773 31.700 0.028 0.000 0.807 324 Q N -1.038 118.791 119.800 0.048 0.000 2.199 324 Q HA 0.528 4.868 4.340 -0.000 0.000 0.232 324 Q C 0.667 176.708 176.000 0.068 0.000 0.969 324 Q CA -0.743 55.095 55.803 0.057 0.000 0.925 324 Q CB 0.282 29.058 28.738 0.064 0.000 1.198 324 Q HN -0.112 nan 8.270 nan 0.000 0.494 325 A N 1.447 124.311 122.820 0.074 0.000 2.155 325 A HA -0.272 4.048 4.320 -0.000 0.000 0.277 325 A C 0.193 177.822 177.584 0.075 0.000 1.316 325 A CA 1.302 53.386 52.037 0.078 0.000 0.860 325 A CB -1.133 17.929 19.000 0.103 0.000 1.025 325 A HN 0.704 nan 8.150 nan 0.000 0.354 326 D N -0.305 120.133 120.400 0.063 0.000 2.338 326 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 326 D C -0.451 175.880 176.300 0.052 0.000 0.967 326 D CA 0.803 54.840 54.000 0.061 0.000 0.896 326 D CB -1.187 39.648 40.800 0.057 0.000 1.028 326 D HN 0.462 nan 8.370 nan 0.000 0.493 327 P HA -0.219 nan 4.420 nan 0.000 0.248 327 P C 0.308 177.631 177.300 0.037 0.000 0.892 327 P CA 1.250 64.373 63.100 0.037 0.000 1.091 327 P CB 0.045 31.765 31.700 0.032 0.000 0.746 328 E N -0.676 119.543 120.200 0.032 0.000 2.651 328 E HA 0.445 4.795 4.350 -0.000 0.000 0.213 328 E C 0.198 176.816 176.600 0.030 0.000 1.028 328 E CA -0.377 56.042 56.400 0.031 0.000 1.183 328 E CB 0.187 29.902 29.700 0.026 0.000 1.188 328 E HN 0.379 nan 8.360 nan 0.000 0.444 329 A N 0.984 123.824 122.820 0.035 0.000 2.407 329 A HA 0.125 4.445 4.320 -0.000 0.000 0.248 329 A C 1.142 178.749 177.584 0.038 0.000 1.082 329 A CA -0.169 51.887 52.037 0.031 0.000 0.785 329 A CB 0.617 19.638 19.000 0.035 0.000 1.020 329 A HN -0.100 nan 8.150 nan 0.000 0.489 330 K N 0.316 120.733 120.400 0.028 0.000 2.365 330 K HA 0.234 4.554 4.320 -0.000 0.000 0.199 330 K C 0.354 176.992 176.600 0.065 0.000 1.045 330 K CA 1.382 57.693 56.287 0.040 0.000 0.962 330 K CB -0.025 32.491 32.500 0.027 0.000 0.759 330 K HN 0.855 nan 8.250 nan 0.000 0.469 331 A N 0.122 122.978 122.820 0.060 0.000 2.517 331 A HA 0.544 4.864 4.320 -0.000 0.000 0.297 331 A C -1.205 176.447 177.584 0.113 0.000 1.050 331 A CA -0.724 51.383 52.037 0.117 0.000 0.694 331 A CB 0.991 20.021 19.000 0.049 0.000 1.277 331 A HN 0.070 nan 8.150 nan 0.000 0.400 332 I N 2.303 122.994 120.570 0.201 0.000 2.315 332 I HA 0.447 4.617 4.170 -0.000 0.000 0.291 332 I C -0.791 175.499 176.117 0.288 0.000 1.006 332 I CA -0.708 60.706 61.300 0.191 0.000 1.265 332 I CB 1.583 39.683 38.000 0.167 0.000 1.387 332 I HN 0.313 nan 8.210 nan 0.000 0.475 333 V N 7.956 128.011 119.914 0.235 0.000 2.447 333 V HA 0.485 4.605 4.120 -0.000 0.000 0.292 333 V C -0.228 176.162 176.094 0.493 0.000 1.021 333 V CA -0.446 62.055 62.300 0.334 0.000 0.850 333 V CB 1.571 33.419 31.823 0.041 0.000 1.005 333 V HN 0.506 nan 8.190 nan 0.000 0.426 334 L N 4.999 126.538 121.223 0.527 0.000 2.354 334 L HA 0.724 5.064 4.340 -0.000 0.000 0.264 334 L C -1.012 175.948 176.870 0.149 0.000 1.008 334 L CA -0.910 54.157 54.840 0.379 0.000 0.819 334 L CB 2.384 44.561 42.059 0.196 0.000 1.339 334 L HN 0.466 nan 8.230 nan 0.000 0.420 335 L N 1.542 122.595 121.223 -0.283 0.000 2.341 335 L HA 0.602 4.942 4.340 -0.000 0.000 0.278 335 L C -1.248 175.461 176.870 -0.269 0.000 1.005 335 L CA 0.182 54.670 54.840 -0.586 0.000 0.818 335 L CB 1.650 42.917 42.059 -1.320 0.000 1.259 335 L HN 0.540 nan 8.230 nan 0.000 0.418 336 D N 5.686 125.977 120.400 -0.182 0.000 2.405 336 D HA 0.409 5.049 4.640 -0.000 0.000 0.264 336 D C -2.093 174.146 176.300 -0.103 0.000 1.240 336 D CA -1.825 52.111 54.000 -0.107 0.000 0.893 336 D CB 1.648 42.416 40.800 -0.053 0.000 1.198 336 D HN 0.250 nan 8.370 nan 0.000 0.514 337 P HA -0.200 nan 4.420 nan 0.000 0.222 337 P C 0.586 177.843 177.300 -0.072 0.000 1.159 337 P CA 1.326 64.370 63.100 -0.094 0.000 0.920 337 P CB 0.350 32.002 31.700 -0.080 0.000 0.793 338 E N -1.121 119.045 120.200 -0.058 0.000 2.465 338 E HA 0.207 4.557 4.350 -0.000 0.000 0.195 338 E C 1.061 177.637 176.600 -0.040 0.000 1.028 338 E CA -0.020 56.350 56.400 -0.050 0.000 0.899 338 E CB -0.331 29.346 29.700 -0.040 0.000 1.032 338 E HN 0.147 nan 8.360 nan 0.000 0.468 339 G N 0.194 108.973 108.800 -0.034 0.000 2.554 339 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.238 339 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.238 339 G C -0.570 174.341 174.900 0.019 0.000 1.259 339 G CA -0.158 44.941 45.100 -0.001 0.000 0.843 339 G HN 0.270 nan 8.290 nan 0.000 0.582 340 H N 2.297 121.343 119.070 -0.038 0.000 2.723 340 H HA 0.263 4.819 4.556 0.000 0.000 0.294 340 H C -1.401 173.899 175.328 -0.045 0.000 1.079 340 H CA -1.717 54.308 56.048 -0.039 0.000 1.411 340 H CB 1.687 31.429 29.762 -0.034 0.000 1.439 340 H HN 0.176 nan 8.280 nan 0.000 0.474 341 P HA -0.099 nan 4.420 nan 0.000 0.221 341 P C 1.346 178.718 177.300 0.119 0.000 1.145 341 P CA 1.312 64.469 63.100 0.094 0.000 0.795 341 P CB 0.257 31.970 31.700 0.021 0.000 0.775 342 G N -0.333 108.624 108.800 0.262 0.000 2.534 342 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 342 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 342 G C 1.280 176.106 174.900 -0.123 0.000 1.128 342 G CA 0.870 45.962 45.100 -0.013 0.000 0.784 342 G HN 0.396 nan 8.290 nan 0.000 0.542 343 V N -1.494 118.362 119.914 -0.097 0.000 3.645 343 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 343 V C 2.315 178.388 176.094 -0.035 0.000 1.356 343 V CA 1.038 63.284 62.300 -0.090 0.000 1.051 343 V CB 0.026 31.784 31.823 -0.109 0.000 0.828 343 V HN 0.376 nan 8.190 nan 0.000 0.441 344 M N 0.895 120.488 119.600 -0.011 0.000 2.279 344 M HA 0.172 4.652 4.480 -0.000 0.000 0.264 344 M C 2.039 178.336 176.300 -0.005 0.000 1.062 344 M CA 2.292 57.590 55.300 -0.004 0.000 1.099 344 M CB -1.379 31.218 32.600 -0.005 0.000 1.394 344 M HN 0.267 nan 8.290 nan 0.000 0.426 345 G N 1.833 110.626 108.800 -0.011 0.000 2.459 345 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 345 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 345 G C 1.544 176.440 174.900 -0.006 0.000 1.183 345 G CA 1.151 46.247 45.100 -0.006 0.000 0.776 345 G HN 0.520 nan 8.290 nan 0.000 0.552 346 I N 0.376 120.937 120.570 -0.014 0.000 2.315 346 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 346 I C 2.745 178.860 176.117 -0.003 0.000 1.117 346 I CA 0.326 61.619 61.300 -0.012 0.000 1.404 346 I CB -0.138 37.848 38.000 -0.024 0.000 1.071 346 I HN 0.024 nan 8.210 nan 0.000 0.419 347 V N 1.115 121.028 119.914 -0.002 0.000 2.407 347 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 347 V C 2.722 178.827 176.094 0.018 0.000 1.055 347 V CA 1.962 64.267 62.300 0.008 0.000 1.049 347 V CB -0.994 30.835 31.823 0.009 0.000 0.662 347 V HN 0.489 nan 8.190 nan 0.000 0.455 348 A N -0.421 122.409 122.820 0.017 0.000 1.902 348 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 348 A C 2.496 180.089 177.584 0.015 0.000 1.181 348 A CA 2.225 54.276 52.037 0.023 0.000 0.623 348 A CB -0.692 18.315 19.000 0.012 0.000 0.818 348 A HN 0.500 nan 8.150 nan 0.000 0.443 349 S N -0.528 115.177 115.700 0.008 0.000 2.368 349 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 349 S C 2.058 176.668 174.600 0.017 0.000 1.030 349 S CA 1.327 59.533 58.200 0.010 0.000 0.999 349 S CB -0.298 62.908 63.200 0.009 0.000 0.844 349 S HN 0.592 nan 8.310 nan 0.000 0.459 350 R N 0.516 121.026 120.500 0.017 0.000 2.096 350 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 350 R C 2.114 178.428 176.300 0.023 0.000 1.127 350 R CA 1.133 57.244 56.100 0.018 0.000 0.968 350 R CB -0.405 29.903 30.300 0.012 0.000 0.861 350 R HN 0.410 nan 8.270 nan 0.000 0.440 351 I N 0.702 121.289 120.570 0.029 0.000 2.286 351 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 351 I C 2.440 178.582 176.117 0.042 0.000 1.104 351 I CA 0.865 62.188 61.300 0.039 0.000 1.397 351 I CB -0.196 37.836 38.000 0.053 0.000 1.072 351 I HN 0.176 nan 8.210 nan 0.000 0.417 352 L N 0.789 122.034 121.223 0.037 0.000 2.127 352 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 352 L C 2.378 179.269 176.870 0.035 0.000 1.089 352 L CA 1.704 56.565 54.840 0.036 0.000 0.757 352 L CB -0.154 41.918 42.059 0.021 0.000 0.899 352 L HN 0.155 nan 8.230 nan 0.000 0.434 353 E N -0.056 120.163 120.200 0.031 0.000 2.158 353 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 353 E C 1.964 178.584 176.600 0.033 0.000 0.982 353 E CA 1.155 57.574 56.400 0.031 0.000 0.823 353 E CB -0.049 29.667 29.700 0.027 0.000 0.766 353 E HN 0.582 nan 8.360 nan 0.000 0.468 354 A N -1.112 121.727 122.820 0.032 0.000 2.123 354 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 354 A C 2.140 179.748 177.584 0.040 0.000 1.152 354 A CA 1.493 53.549 52.037 0.032 0.000 0.728 354 A CB -0.066 18.951 19.000 0.029 0.000 0.814 354 A HN 0.241 nan 8.150 nan 0.000 0.464 355 T N -1.727 112.853 114.554 0.044 0.000 2.964 355 T HA 0.255 4.605 4.350 -0.000 0.000 0.249 355 T C 0.135 174.865 174.700 0.051 0.000 1.000 355 T CA 0.156 62.285 62.100 0.049 0.000 0.992 355 T CB -0.052 68.849 68.868 0.055 0.000 1.087 355 T HN 0.247 nan 8.240 nan 0.000 0.489 356 L N 2.224 123.477 121.223 0.049 0.000 3.634 356 L HA -0.138 4.202 4.340 -0.000 0.000 0.423 356 L C -0.395 176.506 176.870 0.052 0.000 1.253 356 L CA 0.818 55.688 54.840 0.049 0.000 0.885 356 L CB -1.072 41.018 42.059 0.052 0.000 1.789 356 L HN 0.227 nan 8.230 nan 0.000 0.904 357 R N -0.786 119.748 120.500 0.056 0.000 2.740 357 R HA 0.669 5.009 4.340 -0.000 0.000 0.273 357 R C -2.522 173.823 176.300 0.075 0.000 0.998 357 R CA -2.019 54.123 56.100 0.070 0.000 0.900 357 R CB 1.051 31.400 30.300 0.082 0.000 1.223 357 R HN -0.238 nan 8.270 nan 0.000 0.466 358 P HA 0.136 nan 4.420 nan 0.000 0.269 358 P C -0.657 176.724 177.300 0.135 0.000 1.209 358 P CA -0.197 62.953 63.100 0.084 0.000 0.776 358 P CB 0.624 32.443 31.700 0.198 0.000 0.876 359 V N 4.014 123.916 119.914 -0.020 0.000 2.588 359 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 359 V C -0.712 175.342 176.094 -0.068 0.000 1.042 359 V CA -0.323 62.033 62.300 0.094 0.000 0.877 359 V CB 1.299 33.166 31.823 0.073 0.000 0.996 359 V HN 0.310 nan 8.190 nan 0.000 0.425 360 F N 5.165 125.235 119.950 0.200 0.000 2.477 360 F HA 0.759 5.286 4.527 -0.000 0.000 0.335 360 F C -0.505 175.495 175.800 0.334 0.000 1.130 360 F CA -0.828 57.369 58.000 0.328 0.000 0.948 360 F CB 1.711 40.971 39.000 0.432 0.000 1.154 360 F HN 0.158 nan 8.300 nan 0.000 0.439 361 L N 3.650 125.112 121.223 0.398 0.000 2.381 361 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 361 L C -0.768 176.198 176.870 0.160 0.000 0.997 361 L CA -0.963 54.031 54.840 0.256 0.000 0.818 361 L CB 2.245 44.375 42.059 0.119 0.000 1.310 361 L HN 0.319 nan 8.230 nan 0.000 0.416 362 V N 1.835 121.813 119.914 0.107 0.000 2.588 362 V HA 0.951 5.071 4.120 -0.000 0.000 0.304 362 V C -0.524 175.514 176.094 -0.092 0.000 1.042 362 V CA -0.671 61.611 62.300 -0.031 0.000 0.877 362 V CB 1.716 33.574 31.823 0.059 0.000 0.996 362 V HN 0.867 nan 8.190 nan 0.000 0.425 363 A N 3.288 126.040 122.820 -0.114 0.000 2.465 363 A HA 0.688 5.008 4.320 -0.000 0.000 0.292 363 A C -0.144 177.382 177.584 -0.097 0.000 1.041 363 A CA -0.419 51.562 52.037 -0.094 0.000 0.718 363 A CB 1.407 20.370 19.000 -0.061 0.000 1.266 363 A HN 0.931 nan 8.150 nan 0.000 0.403 364 Q N 1.078 120.825 119.800 -0.089 0.000 2.457 364 Q HA -0.268 4.072 4.340 -0.000 0.000 0.283 364 Q C 1.144 177.097 176.000 -0.079 0.000 1.234 364 Q CA 1.594 57.349 55.803 -0.080 0.000 0.877 364 Q CB -1.746 26.941 28.738 -0.084 0.000 1.250 364 Q HN 2.583 nan 8.270 nan 0.000 0.481 365 G N -1.046 107.705 108.800 -0.082 0.000 2.184 365 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.264 365 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.264 365 G C 0.015 174.841 174.900 -0.124 0.000 0.975 365 G CA 0.745 45.801 45.100 -0.075 0.000 0.642 365 G HN 0.145 nan 8.290 nan 0.000 0.536 366 K N 0.521 120.819 120.400 -0.170 0.000 2.123 366 K HA 0.714 5.034 4.320 -0.000 0.000 0.259 366 K C 0.442 176.766 176.600 -0.460 0.000 0.960 366 K CA 0.101 56.236 56.287 -0.253 0.000 0.872 366 K CB 1.676 34.080 32.500 -0.161 0.000 1.079 366 K HN 0.501 nan 8.250 nan 0.000 0.440 367 G N -0.196 108.075 108.800 -0.883 0.000 2.524 367 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 367 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 367 G C -1.103 173.281 174.900 -0.859 0.000 1.279 367 G CA -0.292 43.937 45.100 -1.452 0.000 0.974 367 G HN 0.362 nan 8.290 nan 0.000 0.484 368 T N -0.421 113.941 114.554 -0.320 0.000 2.900 368 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 368 T C -1.123 173.632 174.700 0.093 0.000 1.044 368 T CA -0.346 61.721 62.100 -0.056 0.000 0.995 368 T CB 1.702 70.541 68.868 -0.047 0.000 1.072 368 T HN 0.518 nan 8.240 nan 0.000 0.473 369 V N 5.065 124.993 119.914 0.023 0.000 2.709 369 V HA 0.738 4.858 4.120 -0.000 0.000 0.308 369 V C -0.721 175.254 176.094 -0.198 0.000 1.062 369 V CA -1.032 61.154 62.300 -0.189 0.000 0.901 369 V CB 2.107 33.749 31.823 -0.302 0.000 1.003 369 V HN 0.745 nan 8.190 nan 0.000 0.425 370 R N 1.896 122.257 120.500 -0.232 0.000 2.575 370 R HA 0.820 5.160 4.340 -0.000 0.000 0.293 370 R C -0.591 175.606 176.300 -0.171 0.000 0.983 370 R CA -0.359 55.654 56.100 -0.145 0.000 0.887 370 R CB 1.991 32.251 30.300 -0.067 0.000 1.184 370 R HN 0.795 nan 8.270 nan 0.000 0.445 371 S N 2.090 117.716 115.700 -0.124 0.000 2.732 371 S HA 0.876 5.346 4.470 -0.000 0.000 0.293 371 S C -1.135 173.448 174.600 -0.029 0.000 1.159 371 S CA -0.679 57.469 58.200 -0.086 0.000 0.847 371 S CB 1.203 64.341 63.200 -0.102 0.000 1.169 371 S HN 0.530 nan 8.310 nan 0.000 0.501 372 L N -1.150 120.066 121.223 -0.012 0.000 2.828 372 L HA 0.863 5.203 4.340 -0.000 0.000 0.264 372 L C 0.323 177.194 176.870 0.001 0.000 1.106 372 L CA -0.551 54.294 54.840 0.007 0.000 0.955 372 L CB 0.529 42.599 42.059 0.019 0.000 1.558 372 L HN 1.328 nan 8.230 nan 0.000 0.386 373 A N 0.282 123.112 122.820 0.016 0.000 5.479 373 A HA -0.184 4.136 4.320 -0.000 0.000 0.301 373 A C -1.688 175.898 177.584 0.003 0.000 1.961 373 A CA 1.136 53.184 52.037 0.019 0.000 0.716 373 A CB -3.327 15.687 19.000 0.023 0.000 1.266 373 A HN 0.987 nan 8.150 nan 0.000 0.372 374 P HA 0.420 nan 4.420 nan 0.000 0.266 374 P C -0.287 176.867 177.300 -0.244 0.000 1.381 374 P CA 0.373 63.455 63.100 -0.029 0.000 0.940 374 P CB -0.227 31.529 31.700 0.092 0.000 1.435 375 I N 0.326 120.757 120.570 -0.231 0.000 2.330 375 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 375 I C 0.562 176.609 176.117 -0.118 0.000 1.001 375 I CA -0.728 60.373 61.300 -0.332 0.000 1.193 375 I CB 1.579 39.444 38.000 -0.224 0.000 1.345 375 I HN -0.124 nan 8.210 nan 0.000 0.461 376 S N 4.778 120.433 115.700 -0.074 0.000 2.474 376 S HA 0.372 4.842 4.470 -0.000 0.000 0.276 376 S C 1.187 175.797 174.600 0.015 0.000 1.227 376 S CA -0.112 58.090 58.200 0.003 0.000 1.050 376 S CB 1.227 64.452 63.200 0.041 0.000 0.939 376 S HN 0.733 nan 8.310 nan 0.000 0.490 377 A N 5.350 128.150 122.820 -0.034 0.000 1.851 377 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 377 A C 2.235 179.807 177.584 -0.021 0.000 1.195 377 A CA 1.977 53.968 52.037 -0.077 0.000 0.622 377 A CB -1.297 17.603 19.000 -0.167 0.000 0.831 377 A HN 1.020 nan 8.150 nan 0.000 0.444 378 V N -0.052 119.860 119.914 -0.004 0.000 2.626 378 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 378 V C 2.264 178.392 176.094 0.057 0.000 1.067 378 V CA 2.409 64.755 62.300 0.077 0.000 1.081 378 V CB -0.615 31.256 31.823 0.080 0.000 0.686 378 V HN 0.551 nan 8.190 nan 0.000 0.468 379 E N 0.248 120.435 120.200 -0.022 0.000 2.208 379 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 379 E C 2.241 178.539 176.600 -0.504 0.000 0.988 379 E CA 1.227 57.558 56.400 -0.116 0.000 0.828 379 E CB -0.398 29.310 29.700 0.014 0.000 0.763 379 E HN 0.676 nan 8.360 nan 0.000 0.478 380 A N 1.082 123.582 122.820 -0.534 0.000 1.930 380 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 380 A C 2.318 179.633 177.584 -0.449 0.000 1.175 380 A CA 0.828 52.395 52.037 -0.784 0.000 0.627 380 A CB -0.543 18.443 19.000 -0.022 0.000 0.815 380 A HN 0.168 nan 8.150 nan 0.000 0.443 381 L N -1.242 119.845 121.223 -0.226 0.000 2.093 381 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 381 L C 2.749 179.293 176.870 -0.543 0.000 1.085 381 L CA 1.593 56.238 54.840 -0.325 0.000 0.755 381 L CB -0.483 41.431 42.059 -0.241 0.000 0.904 381 L HN 0.465 nan 8.230 nan 0.000 0.435 382 R N 0.664 120.953 120.500 -0.352 0.000 2.091 382 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 382 R C 2.576 178.728 176.300 -0.246 0.000 1.136 382 R CA 1.807 57.770 56.100 -0.229 0.000 0.959 382 R CB -0.219 30.086 30.300 0.009 0.000 0.856 382 R HN 0.421 nan 8.270 nan 0.000 0.437 383 S N -0.769 114.741 115.700 -0.316 0.000 2.442 383 S HA -0.068 4.402 4.470 -0.000 0.000 0.236 383 S C 1.414 175.888 174.600 -0.210 0.000 1.007 383 S CA 0.949 59.008 58.200 -0.234 0.000 0.965 383 S CB 0.123 63.156 63.200 -0.279 0.000 0.773 383 S HN 0.421 nan 8.310 nan 0.000 0.504 384 A N 1.065 123.719 122.820 -0.277 0.000 2.594 384 A HA 0.381 4.701 4.320 -0.000 0.000 0.287 384 A C 1.537 179.001 177.584 -0.201 0.000 1.227 384 A CA 0.141 52.049 52.037 -0.214 0.000 0.952 384 A CB -0.155 18.692 19.000 -0.255 0.000 1.161 384 A HN 0.708 nan 8.150 nan 0.000 0.524 385 E N 1.314 121.353 120.200 -0.268 0.000 2.160 385 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 385 E C 1.007 177.543 176.600 -0.106 0.000 0.991 385 E CA 1.412 57.638 56.400 -0.289 0.000 0.810 385 E CB -0.515 29.043 29.700 -0.236 0.000 0.742 385 E HN 0.675 nan 8.360 nan 0.000 0.466 386 D N 1.133 121.497 120.400 -0.060 0.000 2.218 386 D HA -0.180 4.460 4.640 -0.000 0.000 0.204 386 D C 1.776 178.070 176.300 -0.009 0.000 0.976 386 D CA 0.667 54.656 54.000 -0.018 0.000 0.853 386 D CB -0.107 40.684 40.800 -0.015 0.000 0.939 386 D HN 0.256 nan 8.370 nan 0.000 0.481 387 L N 0.132 121.343 121.223 -0.020 0.000 2.554 387 L HA 0.230 4.570 4.340 -0.000 0.000 0.226 387 L C 0.836 177.707 176.870 0.002 0.000 1.137 387 L CA 0.398 55.242 54.840 0.006 0.000 0.863 387 L CB -0.487 41.596 42.059 0.041 0.000 0.985 387 L HN 0.060 nan 8.230 nan 0.000 0.451 388 L N -1.660 119.554 121.223 -0.016 0.000 2.344 388 L HA 0.263 4.603 4.340 -0.000 0.000 0.272 388 L C 1.129 178.046 176.870 0.079 0.000 1.035 388 L CA -0.566 54.287 54.840 0.022 0.000 0.807 388 L CB 1.423 43.465 42.059 -0.028 0.000 1.237 388 L HN -0.096 nan 8.230 nan 0.000 0.442 389 L N 1.224 122.508 121.223 0.103 0.000 2.240 389 L HA 0.084 4.424 4.340 -0.000 0.000 0.211 389 L C 0.427 177.372 176.870 0.125 0.000 1.106 389 L CA 0.757 55.653 54.840 0.094 0.000 0.793 389 L CB -0.164 41.939 42.059 0.074 0.000 0.927 389 L HN 0.742 nan 8.230 nan 0.000 0.446 390 R N -1.406 119.208 120.500 0.191 0.000 3.062 390 R HA 0.446 4.786 4.340 -0.000 0.000 0.279 390 R C -1.667 174.853 176.300 0.367 0.000 1.003 390 R CA -0.974 55.262 56.100 0.227 0.000 0.872 390 R CB 0.581 30.951 30.300 0.118 0.000 1.280 390 R HN -0.049 nan 8.270 nan 0.000 0.516 391 Y N -1.396 118.956 120.300 0.087 0.000 2.702 391 Y HA 0.881 5.431 4.550 -0.000 0.000 0.336 391 Y C -1.024 174.914 175.900 0.063 0.000 1.203 391 Y CA -0.546 57.625 58.100 0.119 0.000 1.072 391 Y CB 1.130 39.658 38.460 0.114 0.000 1.327 391 Y HN 1.158 nan 8.280 nan 0.000 0.456 392 G N -0.539 108.271 108.800 0.017 0.000 2.523 392 G HA2 0.751 4.711 3.960 -0.000 0.000 0.291 392 G HA3 0.751 4.711 3.960 -0.000 0.000 0.291 392 G C -0.700 174.201 174.900 0.002 0.000 1.450 392 G CA -0.102 44.922 45.100 -0.127 0.000 0.790 392 G HN 2.179 nan 8.290 nan 0.000 0.496 393 G N -0.686 108.103 108.800 -0.018 0.000 2.320 393 G HA2 0.560 4.520 3.960 -0.000 0.000 0.274 393 G HA3 0.560 4.520 3.960 -0.000 0.000 0.274 393 G C -0.705 174.220 174.900 0.041 0.000 1.324 393 G CA 0.395 45.488 45.100 -0.012 0.000 0.957 393 G HN 1.898 nan 8.290 nan 0.000 0.481 394 H N -1.136 117.943 119.070 0.014 0.000 3.471 394 H HA 0.557 5.113 4.556 -0.000 0.000 0.318 394 H C 0.923 176.263 175.328 0.021 0.000 1.676 394 H CA -0.180 55.878 56.048 0.017 0.000 1.293 394 H CB 0.508 30.279 29.762 0.016 0.000 1.738 394 H HN 0.507 nan 8.280 nan 0.000 0.690 395 K N -0.181 120.324 120.400 0.176 0.000 2.147 395 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 395 K C 1.169 177.785 176.600 0.026 0.000 1.049 395 K CA 1.806 58.144 56.287 0.086 0.000 0.936 395 K CB 0.156 32.724 32.500 0.114 0.000 0.722 395 K HN 0.546 nan 8.250 nan 0.000 0.446 396 E N -0.539 119.703 120.200 0.069 0.000 2.473 396 E HA 0.183 4.533 4.350 -0.000 0.000 0.204 396 E C -0.234 176.273 176.600 -0.154 0.000 0.994 396 E CA -0.195 56.209 56.400 0.008 0.000 0.945 396 E CB 1.135 30.925 29.700 0.150 0.000 0.990 396 E HN 0.148 nan 8.360 nan 0.000 0.493 397 A N 1.021 123.532 122.820 -0.515 0.000 2.547 397 A HA 0.786 5.106 4.320 -0.000 0.000 0.297 397 A C -1.471 175.824 177.584 -0.481 0.000 1.056 397 A CA -0.251 51.538 52.037 -0.412 0.000 0.688 397 A CB 1.734 20.603 19.000 -0.218 0.000 1.282 397 A HN 0.088 nan 8.150 nan 0.000 0.400 398 A N 0.245 122.947 122.820 -0.197 0.000 2.609 398 A HA 0.979 5.299 4.320 -0.000 0.000 0.291 398 A C -0.205 177.422 177.584 0.072 0.000 1.096 398 A CA -0.111 51.890 52.037 -0.061 0.000 0.684 398 A CB 1.329 20.337 19.000 0.012 0.000 1.282 398 A HN 2.382 nan 8.150 nan 0.000 0.412 399 G N -0.861 108.028 108.800 0.148 0.000 2.619 399 G HA2 0.924 4.884 3.960 -0.000 0.000 0.296 399 G HA3 0.924 4.884 3.960 -0.000 0.000 0.296 399 G C -0.976 174.128 174.900 0.339 0.000 1.334 399 G CA -0.191 45.001 45.100 0.154 0.000 0.934 399 G HN 1.829 nan 8.290 nan 0.000 0.476 400 F N -1.476 118.510 119.950 0.060 0.000 2.877 400 F HA 0.886 5.413 4.527 -0.000 0.000 0.319 400 F C -0.507 175.305 175.800 0.020 0.000 1.174 400 F CA -1.437 56.607 58.000 0.074 0.000 0.903 400 F CB 1.263 40.313 39.000 0.083 0.000 1.357 400 F HN 0.928 nan 8.300 nan 0.000 0.472 401 A N 1.915 124.850 122.820 0.191 0.000 2.454 401 A HA 0.928 5.248 4.320 -0.000 0.000 0.302 401 A C -1.186 176.495 177.584 0.160 0.000 1.079 401 A CA -0.647 51.417 52.037 0.046 0.000 0.731 401 A CB 2.081 21.104 19.000 0.039 0.000 1.299 401 A HN 1.325 nan 8.150 nan 0.000 0.413 402 M N 1.484 121.130 119.600 0.077 0.000 2.569 402 M HA 0.232 4.712 4.480 -0.000 0.000 0.287 402 M C -2.209 174.116 176.300 0.041 0.000 1.130 402 M CA -0.549 54.800 55.300 0.081 0.000 0.885 402 M CB 1.736 34.402 32.600 0.109 0.000 1.759 402 M HN 0.802 nan 8.290 nan 0.000 0.515 403 D N 2.972 123.397 120.400 0.042 0.000 2.371 403 D HA 0.075 4.715 4.640 -0.000 0.000 0.256 403 D C 0.397 176.731 176.300 0.056 0.000 1.193 403 D CA 0.558 54.580 54.000 0.037 0.000 0.881 403 D CB 1.013 41.835 40.800 0.036 0.000 1.143 403 D HN 0.720 nan 8.370 nan 0.000 0.473 404 E N 2.465 122.691 120.200 0.044 0.000 2.331 404 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 404 E C 1.649 178.316 176.600 0.112 0.000 1.008 404 E CA 0.675 57.116 56.400 0.068 0.000 0.843 404 E CB 0.112 29.811 29.700 -0.003 0.000 0.761 404 E HN 0.562 nan 8.360 nan 0.000 0.507 405 A N 0.828 123.697 122.820 0.082 0.000 2.067 405 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 405 A C 1.949 179.601 177.584 0.114 0.000 1.158 405 A CA 0.738 52.827 52.037 0.085 0.000 0.661 405 A CB -0.218 18.814 19.000 0.054 0.000 0.801 405 A HN 0.167 nan 8.150 nan 0.000 0.452 406 L N -1.584 119.712 121.223 0.121 0.000 2.612 406 L HA 0.096 4.436 4.340 -0.000 0.000 0.230 406 L C 1.886 178.865 176.870 0.181 0.000 1.140 406 L CA -0.159 54.752 54.840 0.119 0.000 0.896 406 L CB -0.341 41.769 42.059 0.085 0.000 1.065 406 L HN 0.457 nan 8.230 nan 0.000 0.447 407 F N 2.597 122.597 119.950 0.084 0.000 2.069 407 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 407 F C -0.471 175.422 175.800 0.155 0.000 1.113 407 F CA 1.729 59.812 58.000 0.139 0.000 1.214 407 F CB -1.184 37.878 39.000 0.103 0.000 0.978 407 F HN 0.087 nan 8.300 nan 0.000 0.474 408 P HA -0.185 nan 4.420 nan 0.000 0.216 408 P C 1.489 178.720 177.300 -0.114 0.000 1.150 408 P CA 2.412 65.482 63.100 -0.051 0.000 0.837 408 P CB -0.342 31.396 31.700 0.063 0.000 0.786 409 A N -1.318 121.479 122.820 -0.039 0.000 1.930 409 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 409 A C 2.084 179.612 177.584 -0.093 0.000 1.175 409 A CA 1.189 53.196 52.037 -0.050 0.000 0.627 409 A CB -1.773 17.226 19.000 -0.002 0.000 0.815 409 A HN 0.153 nan 8.150 nan 0.000 0.443 410 F N 0.882 120.694 119.950 -0.230 0.000 2.134 410 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 410 F C 2.153 177.712 175.800 -0.402 0.000 1.097 410 F CA 2.197 60.022 58.000 -0.292 0.000 1.264 410 F CB -0.213 38.640 39.000 -0.246 0.000 1.001 410 F HN 0.224 nan 8.300 nan 0.000 0.479 411 K N 0.397 120.478 120.400 -0.533 0.000 2.009 411 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 411 K C 2.261 178.580 176.600 -0.469 0.000 1.049 411 K CA 1.456 57.370 56.287 -0.622 0.000 0.929 411 K CB -0.565 31.571 32.500 -0.607 0.000 0.714 411 K HN 0.312 nan 8.250 nan 0.000 0.440 412 A N 1.255 123.883 122.820 -0.321 0.000 1.908 412 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 412 A C 2.128 179.561 177.584 -0.252 0.000 1.181 412 A CA 1.790 53.690 52.037 -0.228 0.000 0.627 412 A CB -0.586 18.325 19.000 -0.150 0.000 0.818 412 A HN 0.354 nan 8.150 nan 0.000 0.445 413 R N 0.121 120.437 120.500 -0.307 0.000 2.080 413 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 413 R C 2.127 178.212 176.300 -0.358 0.000 1.137 413 R CA 2.352 58.274 56.100 -0.296 0.000 0.943 413 R CB -0.992 29.116 30.300 -0.321 0.000 0.846 413 R HN 0.552 nan 8.270 nan 0.000 0.431 414 V N -1.455 118.070 119.914 -0.647 0.000 2.515 414 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 414 V C 1.656 177.522 176.094 -0.380 0.000 1.058 414 V CA 1.937 63.838 62.300 -0.665 0.000 1.064 414 V CB -0.607 30.372 31.823 -1.405 0.000 0.675 414 V HN 0.342 nan 8.190 nan 0.000 0.461 415 E N 1.293 121.278 120.200 -0.358 0.000 2.110 415 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 415 E C 2.364 178.903 176.600 -0.101 0.000 0.988 415 E CA 1.439 57.723 56.400 -0.194 0.000 0.804 415 E CB -0.361 29.236 29.700 -0.171 0.000 0.745 415 E HN 0.747 nan 8.360 nan 0.000 0.458 416 A N 0.533 123.292 122.820 -0.101 0.000 1.929 416 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 416 A C 1.974 179.560 177.584 0.004 0.000 1.176 416 A CA 0.966 52.972 52.037 -0.051 0.000 0.628 416 A CB -0.586 18.378 19.000 -0.058 0.000 0.816 416 A HN 0.369 nan 8.150 nan 0.000 0.444 417 Y N 0.828 121.084 120.300 -0.075 0.000 2.145 417 Y HA -0.110 4.440 4.550 -0.000 0.000 0.286 417 Y C 2.596 178.605 175.900 0.182 0.000 1.145 417 Y CA 1.318 59.439 58.100 0.035 0.000 1.148 417 Y CB -0.569 37.872 38.460 -0.032 0.000 0.981 417 Y HN 0.287 nan 8.280 nan 0.000 0.507 418 A N 0.431 123.277 122.820 0.042 0.000 1.972 418 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 418 A C 2.360 179.992 177.584 0.079 0.000 1.169 418 A CA 1.578 53.642 52.037 0.044 0.000 0.635 418 A CB -1.412 17.629 19.000 0.067 0.000 0.810 418 A HN 0.604 nan 8.150 nan 0.000 0.446 419 A N -0.213 122.617 122.820 0.015 0.000 2.070 419 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 419 A C 2.076 179.629 177.584 -0.050 0.000 1.159 419 A CA 1.295 53.326 52.037 -0.010 0.000 0.656 419 A CB -0.400 18.580 19.000 -0.033 0.000 0.800 419 A HN 0.548 nan 8.150 nan 0.000 0.453 420 R N -1.830 118.604 120.500 -0.109 0.000 2.316 420 R HA 0.128 4.468 4.340 -0.000 0.000 0.202 420 R C -0.737 175.220 176.300 -0.572 0.000 1.029 420 R CA 0.235 56.119 56.100 -0.360 0.000 1.018 420 R CB -0.051 29.921 30.300 -0.547 0.000 0.888 420 R HN 0.494 nan 8.270 nan 0.000 0.471 421 F N 0.321 120.171 119.950 -0.167 0.000 2.579 421 F HA 0.413 4.940 4.527 -0.000 0.000 0.324 421 F C -1.806 173.955 175.800 -0.065 0.000 1.058 421 F CA -3.351 54.580 58.000 -0.115 0.000 0.944 421 F CB 0.587 39.509 39.000 -0.130 0.000 1.245 421 F HN -0.228 nan 8.300 nan 0.000 0.477 422 P HA 0.079 nan 4.420 nan 0.000 0.272 422 P C -0.886 176.470 177.300 0.093 0.000 1.230 422 P CA -0.309 62.842 63.100 0.085 0.000 0.788 422 P CB 0.628 32.370 31.700 0.070 0.000 0.949 423 D N 1.629 122.067 120.400 0.064 0.000 2.423 423 D HA 0.144 4.784 4.640 -0.000 0.000 0.238 423 D C -1.958 174.377 176.300 0.059 0.000 1.142 423 D CA -0.592 53.443 54.000 0.058 0.000 0.884 423 D CB -0.729 40.099 40.800 0.047 0.000 1.199 423 D HN 0.212 nan 8.370 nan 0.000 0.438 424 P HA 0.128 nan 4.420 nan 0.000 0.274 424 P C -0.733 176.599 177.300 0.053 0.000 1.231 424 P CA -0.442 62.688 63.100 0.050 0.000 0.790 424 P CB 0.828 32.553 31.700 0.042 0.000 0.951 425 V N 0.048 119.995 119.914 0.056 0.000 2.876 425 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 425 V C -0.480 175.653 176.094 0.064 0.000 1.085 425 V CA -1.178 61.159 62.300 0.062 0.000 0.945 425 V CB 2.189 34.051 31.823 0.065 0.000 1.017 425 V HN 0.400 nan 8.190 nan 0.000 0.428 426 R N 1.989 122.533 120.500 0.074 0.000 2.407 426 R HA 0.602 4.942 4.340 -0.000 0.000 0.303 426 R C -0.377 175.976 176.300 0.088 0.000 0.981 426 R CA -0.368 55.776 56.100 0.073 0.000 0.905 426 R CB 1.580 31.924 30.300 0.074 0.000 1.099 426 R HN 1.035 nan 8.270 nan 0.000 0.459 427 E N 3.251 123.490 120.200 0.066 0.000 2.195 427 E HA 0.343 4.693 4.350 -0.000 0.000 0.271 427 E C -1.498 175.111 176.600 0.015 0.000 0.923 427 E CA -0.885 55.555 56.400 0.066 0.000 0.790 427 E CB 1.822 31.552 29.700 0.049 0.000 1.155 427 E HN 0.334 nan 8.360 nan 0.000 0.402 428 V N 3.057 122.961 119.914 -0.016 0.000 2.378 428 V HA 0.514 4.634 4.120 -0.000 0.000 0.288 428 V C -0.222 175.771 176.094 -0.168 0.000 1.016 428 V CA -0.695 61.497 62.300 -0.181 0.000 0.840 428 V CB 1.090 32.616 31.823 -0.494 0.000 0.994 428 V HN 0.788 nan 8.190 nan 0.000 0.431 429 A N 6.699 129.425 122.820 -0.157 0.000 2.276 429 A HA 0.743 5.063 4.320 -0.000 0.000 0.300 429 A C -0.679 176.784 177.584 -0.202 0.000 1.235 429 A CA -0.352 51.597 52.037 -0.146 0.000 0.867 429 A CB 0.196 19.116 19.000 -0.133 0.000 1.137 429 A HN 0.600 nan 8.150 nan 0.000 0.527 430 L N 3.713 124.831 121.223 -0.176 0.000 2.282 430 L HA 0.250 4.590 4.340 -0.000 0.000 0.288 430 L C 1.364 178.113 176.870 -0.202 0.000 1.033 430 L CA -0.080 54.641 54.840 -0.198 0.000 0.807 430 L CB 1.160 43.145 42.059 -0.124 0.000 1.209 430 L HN 0.851 nan 8.230 nan 0.000 0.423 431 L N 1.488 122.532 121.223 -0.299 0.000 2.044 431 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 431 L C 0.300 177.073 176.870 -0.162 0.000 1.075 431 L CA 1.560 56.225 54.840 -0.291 0.000 0.747 431 L CB 0.423 42.163 42.059 -0.531 0.000 0.903 431 L HN 0.797 nan 8.230 nan 0.000 0.435 432 D N -3.013 117.306 120.400 -0.135 0.000 2.804 432 D HA 0.177 4.817 4.640 -0.000 0.000 0.309 432 D C -1.317 175.062 176.300 0.131 0.000 1.311 432 D CA -0.694 53.331 54.000 0.042 0.000 0.765 432 D CB 0.525 41.423 40.800 0.162 0.000 1.293 432 D HN -0.267 nan 8.370 nan 0.000 0.434 433 L N 1.386 122.657 121.223 0.080 0.000 2.416 433 L HA 0.332 4.672 4.340 -0.000 0.000 0.272 433 L C 0.326 177.294 176.870 0.164 0.000 1.161 433 L CA -0.184 54.667 54.840 0.018 0.000 0.845 433 L CB 0.055 42.057 42.059 -0.096 0.000 1.119 433 L HN 0.530 nan 8.230 nan 0.000 0.464 434 L N 6.797 128.093 121.223 0.121 0.000 2.490 434 L HA 0.240 4.580 4.340 -0.000 0.000 0.274 434 L C -1.958 174.875 176.870 -0.062 0.000 1.201 434 L CA -0.505 54.301 54.840 -0.057 0.000 0.869 434 L CB 0.259 42.270 42.059 -0.080 0.000 1.123 434 L HN 0.516 nan 8.230 nan 0.000 0.484 435 P HA 0.115 nan 4.420 nan 0.000 0.277 435 P C -0.937 176.337 177.300 -0.043 0.000 1.276 435 P CA -0.509 62.558 63.100 -0.055 0.000 0.788 435 P CB 0.381 32.035 31.700 -0.078 0.000 1.114 436 E N 0.968 121.166 120.200 -0.004 0.000 2.408 436 E HA 0.019 4.369 4.350 -0.000 0.000 0.259 436 E C -1.569 175.011 176.600 -0.034 0.000 1.110 436 E CA -1.246 55.157 56.400 0.004 0.000 0.929 436 E CB -0.620 29.105 29.700 0.041 0.000 0.971 436 E HN 0.275 nan 8.360 nan 0.000 0.438 437 P HA -0.165 nan 4.420 nan 0.000 0.216 437 P C 1.239 178.494 177.300 -0.075 0.000 1.154 437 P CA 1.700 64.774 63.100 -0.043 0.000 0.865 437 P CB 0.095 31.784 31.700 -0.020 0.000 0.789 438 G N -0.728 108.026 108.800 -0.076 0.000 2.470 438 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 438 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 438 G C 1.167 175.959 174.900 -0.179 0.000 1.121 438 G CA 0.437 45.463 45.100 -0.123 0.000 0.766 438 G HN 0.187 nan 8.290 nan 0.000 0.553 439 L N 0.244 121.373 121.223 -0.157 0.000 2.585 439 L HA 0.337 4.677 4.340 -0.000 0.000 0.226 439 L C 2.563 179.332 176.870 -0.168 0.000 1.113 439 L CA 0.269 55.012 54.840 -0.162 0.000 0.876 439 L CB -0.589 41.408 42.059 -0.103 0.000 1.072 439 L HN 0.235 nan 8.230 nan 0.000 0.468 440 L N 0.577 121.687 121.223 -0.189 0.000 2.042 440 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 440 L C -0.085 176.591 176.870 -0.322 0.000 1.076 440 L CA 1.616 56.336 54.840 -0.200 0.000 0.749 440 L CB -1.790 40.192 42.059 -0.128 0.000 0.893 440 L HN 0.225 nan 8.230 nan 0.000 0.432 441 P HA -0.202 nan 4.420 nan 0.000 0.215 441 P C 1.527 178.694 177.300 -0.222 0.000 1.157 441 P CA 1.144 63.721 63.100 -0.871 0.000 0.863 441 P CB 0.062 31.265 31.700 -0.829 0.000 0.787 442 Q N -0.116 119.586 119.800 -0.163 0.000 2.084 442 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 442 Q C 1.913 177.917 176.000 0.007 0.000 0.978 442 Q CA 1.675 57.447 55.803 -0.052 0.000 0.844 442 Q CB -1.335 27.366 28.738 -0.063 0.000 0.898 442 Q HN -0.028 nan 8.270 nan 0.000 0.426 443 V N 0.494 120.405 119.914 -0.005 0.000 2.295 443 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 443 V C 2.015 178.169 176.094 0.100 0.000 1.049 443 V CA 1.912 64.237 62.300 0.042 0.000 1.024 443 V CB -0.782 31.032 31.823 -0.015 0.000 0.648 443 V HN 0.451 nan 8.190 nan 0.000 0.447 444 F N 1.327 121.280 119.950 0.006 0.000 2.095 444 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 444 F C 2.616 178.479 175.800 0.106 0.000 1.104 444 F CA 1.893 59.953 58.000 0.100 0.000 1.232 444 F CB -0.268 38.852 39.000 0.201 0.000 0.987 444 F HN -0.026 nan 8.300 nan 0.000 0.475 445 R N 0.118 120.728 120.500 0.183 0.000 2.120 445 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 445 R C 2.069 178.367 176.300 -0.004 0.000 1.123 445 R CA 1.732 57.883 56.100 0.084 0.000 0.975 445 R CB -0.479 29.897 30.300 0.126 0.000 0.866 445 R HN 0.450 nan 8.270 nan 0.000 0.446 446 E N 0.542 120.758 120.200 0.027 0.000 2.152 446 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 446 E C 1.819 178.467 176.600 0.080 0.000 0.983 446 E CA 0.699 57.143 56.400 0.073 0.000 0.818 446 E CB 0.072 29.838 29.700 0.111 0.000 0.758 446 E HN 0.286 nan 8.360 nan 0.000 0.467 447 L N 0.401 121.611 121.223 -0.021 0.000 2.376 447 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 447 L C 2.438 179.241 176.870 -0.113 0.000 1.133 447 L CA 0.289 55.090 54.840 -0.065 0.000 0.816 447 L CB -0.329 41.705 42.059 -0.042 0.000 0.933 447 L HN 0.141 nan 8.230 nan 0.000 0.449 448 A N 0.403 123.103 122.820 -0.200 0.000 1.948 448 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 448 A C 2.095 179.581 177.584 -0.163 0.000 1.177 448 A CA 1.366 53.268 52.037 -0.225 0.000 0.636 448 A CB -0.525 18.365 19.000 -0.183 0.000 0.815 448 A HN 0.287 nan 8.150 nan 0.000 0.449 449 L N -0.577 120.609 121.223 -0.062 0.000 2.353 449 L HA -0.089 4.251 4.340 -0.000 0.000 0.220 449 L C 2.261 179.059 176.870 -0.120 0.000 1.133 449 L CA 1.140 55.942 54.840 -0.064 0.000 0.798 449 L CB -1.309 40.733 42.059 -0.029 0.000 0.922 449 L HN 0.430 nan 8.230 nan 0.000 0.445 450 L N -0.522 120.618 121.223 -0.139 0.000 2.275 450 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 450 L C 1.176 177.767 176.870 -0.466 0.000 1.119 450 L CA 0.343 55.018 54.840 -0.274 0.000 0.790 450 L CB -0.024 41.929 42.059 -0.177 0.000 0.919 450 L HN 0.310 nan 8.230 nan 0.000 0.443 451 E N 1.249 121.099 120.200 -0.585 0.000 2.404 451 E HA 0.077 4.427 4.350 -0.000 0.000 0.261 451 E C -2.093 174.349 176.600 -0.263 0.000 1.074 451 E CA -1.767 54.284 56.400 -0.582 0.000 0.917 451 E CB 0.091 29.504 29.700 -0.478 0.000 0.965 451 E HN 0.012 nan 8.360 nan 0.000 0.433 452 P HA 0.025 nan 4.420 nan 0.000 0.276 452 P C -1.185 176.044 177.300 -0.119 0.000 1.235 452 P CA 0.076 63.080 63.100 -0.160 0.000 0.772 452 P CB 0.311 31.979 31.700 -0.054 0.000 0.871 453 Y N 2.060 122.377 120.300 0.028 0.000 2.336 453 Y HA 0.544 5.094 4.550 -0.000 0.000 0.331 453 Y C 1.646 177.572 175.900 0.044 0.000 1.211 453 Y CA 1.051 59.174 58.100 0.037 0.000 1.346 453 Y CB 0.687 39.163 38.460 0.028 0.000 1.271 453 Y HN 0.727 nan 8.280 nan 0.000 0.538 454 G N 1.131 110.068 108.800 0.228 0.000 2.348 454 G HA2 0.166 4.126 3.960 -0.000 0.000 0.296 454 G HA3 0.166 4.126 3.960 -0.000 0.000 0.296 454 G C 0.086 175.031 174.900 0.075 0.000 1.258 454 G CA -0.290 44.883 45.100 0.122 0.000 0.868 454 G HN 0.373 nan 8.290 nan 0.000 0.488 455 E N -0.191 120.014 120.200 0.007 0.000 2.136 455 E HA -0.102 4.248 4.350 -0.000 0.000 0.202 455 E C 2.281 178.854 176.600 -0.045 0.000 1.019 455 E CA 3.308 59.688 56.400 -0.034 0.000 0.819 455 E CB -0.860 28.779 29.700 -0.102 0.000 0.739 455 E HN 0.709 nan 8.360 nan 0.000 0.458 456 G N -0.095 108.647 108.800 -0.098 0.000 2.414 456 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 456 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 456 G C 0.270 175.360 174.900 0.317 0.000 1.188 456 G CA 0.747 45.844 45.100 -0.005 0.000 0.783 456 G HN 0.555 nan 8.290 nan 0.000 0.537 457 N N 0.808 119.675 118.700 0.279 0.000 2.576 457 N HA 0.449 5.189 4.740 -0.000 0.000 0.269 457 N C -3.231 172.439 175.510 0.265 0.000 1.058 457 N CA -1.658 51.576 53.050 0.307 0.000 0.860 457 N CB 3.176 41.897 38.487 0.391 0.000 1.249 457 N HN 0.062 nan 8.380 nan 0.000 0.525 458 P HA 0.047 nan 4.420 nan 0.000 0.276 458 P C -0.482 176.669 177.300 -0.247 0.000 1.244 458 P CA -0.173 62.919 63.100 -0.013 0.000 0.801 458 P CB 1.203 32.883 31.700 -0.035 0.000 1.006 459 E N 2.630 122.452 120.200 -0.631 0.000 2.414 459 E HA 0.074 4.424 4.350 -0.000 0.000 0.263 459 E C -1.658 174.651 176.600 -0.486 0.000 1.000 459 E CA -1.547 54.179 56.400 -1.123 0.000 0.914 459 E CB 0.003 29.103 29.700 -0.999 0.000 0.948 459 E HN 0.311 nan 8.360 nan 0.000 0.444 460 P HA 0.045 nan 4.420 nan 0.000 0.271 460 P C -0.889 176.212 177.300 -0.332 0.000 1.218 460 P CA 0.243 63.145 63.100 -0.331 0.000 0.780 460 P CB 0.616 32.102 31.700 -0.356 0.000 0.901 461 L N 2.555 123.558 121.223 -0.366 0.000 2.329 461 L HA 0.470 4.810 4.340 -0.000 0.000 0.279 461 L C 0.192 176.831 176.870 -0.386 0.000 1.014 461 L CA -0.801 53.871 54.840 -0.279 0.000 0.814 461 L CB 0.861 42.773 42.059 -0.244 0.000 1.257 461 L HN 0.260 nan 8.230 nan 0.000 0.424 462 F N 2.350 122.252 119.950 -0.080 0.000 2.440 462 F HA 0.518 5.045 4.527 0.000 0.000 0.328 462 F C -0.031 175.734 175.800 -0.059 0.000 1.070 462 F CA -0.697 57.270 58.000 -0.055 0.000 1.011 462 F CB 1.663 40.653 39.000 -0.018 0.000 1.226 462 F HN 0.197 nan 8.300 nan 0.000 0.491 463 L N 2.779 124.093 121.223 0.152 0.000 2.295 463 L HA 0.665 5.005 4.340 -0.000 0.000 0.285 463 L C -1.454 175.497 176.870 0.135 0.000 1.035 463 L CA -0.324 54.583 54.840 0.110 0.000 0.806 463 L CB 0.842 42.923 42.059 0.036 0.000 1.214 463 L HN 0.413 nan 8.230 nan 0.000 0.426 464 L N 5.392 126.735 121.223 0.200 0.000 2.341 464 L HA 0.664 5.004 4.340 -0.000 0.000 0.267 464 L C -1.039 176.034 176.870 0.339 0.000 1.009 464 L CA -0.178 54.788 54.840 0.209 0.000 0.819 464 L CB 1.848 44.009 42.059 0.170 0.000 1.323 464 L HN 0.594 nan 8.230 nan 0.000 0.425 465 F N 0.278 120.330 119.950 0.169 0.000 2.628 465 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 465 F C 0.019 175.936 175.800 0.195 0.000 1.108 465 F CA 0.218 58.352 58.000 0.224 0.000 0.971 465 F CB 2.141 41.347 39.000 0.345 0.000 1.279 465 F HN 0.624 nan 8.300 nan 0.000 0.441 466 G N 1.873 110.454 108.800 -0.366 0.000 2.350 466 G HA2 0.522 4.482 3.960 -0.000 0.000 0.282 466 G HA3 0.522 4.482 3.960 -0.000 0.000 0.282 466 G C -2.128 172.666 174.900 -0.178 0.000 1.314 466 G CA -0.315 44.718 45.100 -0.111 0.000 0.915 466 G HN 1.216 nan 8.290 nan 0.000 0.499 467 A N 1.699 124.488 122.820 -0.052 0.000 2.252 467 A HA 0.812 5.132 4.320 -0.000 0.000 0.309 467 A C -1.716 175.854 177.584 -0.023 0.000 1.285 467 A CA -1.218 50.780 52.037 -0.066 0.000 0.900 467 A CB 0.418 19.401 19.000 -0.029 0.000 1.157 467 A HN 0.602 nan 8.150 nan 0.000 0.536 468 P HA 0.178 nan 4.420 nan 0.000 0.269 468 P C -0.687 176.630 177.300 0.027 0.000 1.215 468 P CA 0.295 63.387 63.100 -0.013 0.000 0.780 468 P CB 0.804 32.243 31.700 -0.435 0.000 0.898 469 E N 0.055 120.330 120.200 0.125 0.000 2.408 469 E HA 0.240 4.590 4.350 -0.000 0.000 0.275 469 E C -0.728 175.926 176.600 0.091 0.000 0.935 469 E CA -0.939 55.504 56.400 0.073 0.000 0.775 469 E CB 1.265 30.999 29.700 0.056 0.000 1.277 469 E HN 0.427 nan 8.360 nan 0.000 0.455 470 E N -0.776 119.450 120.200 0.045 0.000 2.476 470 E HA -0.238 4.112 4.350 -0.000 0.000 0.251 470 E C -0.206 176.422 176.600 0.046 0.000 1.130 470 E CA 0.581 56.999 56.400 0.030 0.000 0.736 470 E CB -1.722 27.989 29.700 0.019 0.000 1.298 470 E HN 0.652 nan 8.360 nan 0.000 0.400 471 A N 1.880 124.734 122.820 0.057 0.000 2.520 471 A HA 0.318 4.638 4.320 -0.000 0.000 0.235 471 A C 0.729 178.321 177.584 0.013 0.000 1.065 471 A CA 0.774 52.852 52.037 0.069 0.000 0.764 471 A CB 0.315 19.322 19.000 0.012 0.000 1.002 471 A HN 0.393 nan 8.150 nan 0.000 0.502 472 R N 2.132 122.631 120.500 -0.002 0.000 2.603 472 R HA 0.359 4.699 4.340 -0.000 0.000 0.280 472 R C -0.621 175.629 176.300 -0.083 0.000 1.185 472 R CA -0.747 55.325 56.100 -0.048 0.000 1.039 472 R CB 0.827 31.088 30.300 -0.064 0.000 1.247 472 R HN 0.826 nan 8.270 nan 0.000 0.413 473 R N 2.691 123.141 120.500 -0.083 0.000 2.863 473 R HA 0.233 4.573 4.340 -0.000 0.000 0.273 473 R C -0.716 175.487 176.300 -0.162 0.000 1.057 473 R CA -0.017 56.017 56.100 -0.111 0.000 1.191 473 R CB 0.575 30.829 30.300 -0.076 0.000 1.104 473 R HN 0.716 nan 8.270 nan 0.000 0.519 474 L N 3.254 124.353 121.223 -0.208 0.000 2.490 474 L HA 0.350 4.690 4.340 -0.000 0.000 0.256 474 L C 0.326 177.114 176.870 -0.136 0.000 1.089 474 L CA -0.048 54.646 54.840 -0.243 0.000 0.916 474 L CB 1.301 43.051 42.059 -0.515 0.000 1.188 474 L HN 1.137 nan 8.230 nan 0.000 0.476 475 G N 1.516 110.271 108.800 -0.075 0.000 2.460 475 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.207 475 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.207 475 G C 0.046 174.936 174.900 -0.016 0.000 1.170 475 G CA -0.379 44.707 45.100 -0.023 0.000 1.151 475 G HN 0.375 nan 8.290 nan 0.000 0.575 476 E N 0.975 121.179 120.200 0.007 0.000 2.676 476 E HA 0.405 4.755 4.350 -0.000 0.000 0.222 476 E C 0.838 177.450 176.600 0.020 0.000 0.968 476 E CA 0.860 57.266 56.400 0.010 0.000 1.090 476 E CB 1.191 30.902 29.700 0.019 0.000 1.066 476 E HN 0.987 nan 8.360 nan 0.000 0.496 477 G N -0.015 108.801 108.800 0.026 0.000 2.947 477 G HA2 0.243 4.203 3.960 -0.000 0.000 0.293 477 G HA3 0.243 4.203 3.960 -0.000 0.000 0.293 477 G C 0.380 175.298 174.900 0.030 0.000 1.243 477 G CA -0.551 44.577 45.100 0.047 0.000 0.802 477 G HN -0.148 nan 8.290 nan 0.000 0.560 478 R N -0.313 120.240 120.500 0.089 0.000 2.301 478 R HA -0.219 4.121 4.340 -0.000 0.000 0.250 478 R C 1.287 177.534 176.300 -0.088 0.000 1.102 478 R CA 1.847 58.006 56.100 0.099 0.000 0.933 478 R CB -1.523 28.986 30.300 0.348 0.000 0.955 478 R HN 0.658 nan 8.270 nan 0.000 0.439 479 H N 0.450 119.180 119.070 -0.567 0.000 3.125 479 H HA 0.196 4.752 4.556 0.000 0.000 0.310 479 H C -0.216 174.834 175.328 -0.463 0.000 0.980 479 H CA 0.193 55.661 56.048 -0.968 0.000 1.422 479 H CB 0.131 29.157 29.762 -1.227 0.000 1.432 479 H HN 0.136 nan 8.280 nan 0.000 0.577 480 L N 2.834 123.874 121.223 -0.304 0.000 2.801 480 L HA 0.860 5.200 4.340 -0.000 0.000 0.264 480 L C -1.863 174.913 176.870 -0.158 0.000 1.086 480 L CA -0.904 53.811 54.840 -0.207 0.000 0.920 480 L CB 1.437 43.467 42.059 -0.049 0.000 1.529 480 L HN 0.545 nan 8.230 nan 0.000 0.399 481 A N 0.127 122.910 122.820 -0.062 0.000 2.547 481 A HA 0.939 5.259 4.320 -0.000 0.000 0.297 481 A C -1.265 176.364 177.584 0.075 0.000 1.056 481 A CA -0.161 51.825 52.037 -0.085 0.000 0.688 481 A CB 1.194 20.084 19.000 -0.183 0.000 1.282 481 A HN 1.682 nan 8.150 nan 0.000 0.400 482 F N -0.677 119.230 119.950 -0.071 0.000 2.985 482 F HA 0.854 5.381 4.527 -0.000 0.000 0.322 482 F C -0.755 175.024 175.800 -0.036 0.000 1.187 482 F CA -1.117 56.851 58.000 -0.053 0.000 0.910 482 F CB 1.095 40.068 39.000 -0.044 0.000 1.411 482 F HN 0.560 nan 8.300 nan 0.000 0.492 483 R N 1.039 121.641 120.500 0.171 0.000 2.686 483 R HA 0.754 5.094 4.340 -0.000 0.000 0.286 483 R C -1.823 174.582 176.300 0.175 0.000 0.969 483 R CA -1.011 55.120 56.100 0.053 0.000 0.898 483 R CB 2.476 32.794 30.300 0.031 0.000 1.183 483 R HN 0.698 nan 8.270 nan 0.000 0.456 484 L N 3.893 125.172 121.223 0.094 0.000 2.406 484 L HA 0.311 4.651 4.340 -0.000 0.000 0.270 484 L C -0.296 176.626 176.870 0.087 0.000 0.982 484 L CA -0.893 54.027 54.840 0.133 0.000 0.843 484 L CB 1.638 43.800 42.059 0.171 0.000 1.225 484 L HN 0.569 nan 8.230 nan 0.000 0.412 485 K N 2.427 122.880 120.400 0.089 0.000 3.148 485 K HA -0.233 4.087 4.320 -0.000 0.000 0.267 485 K C 0.889 177.517 176.600 0.047 0.000 0.996 485 K CA 0.866 57.198 56.287 0.075 0.000 0.737 485 K CB -1.852 30.703 32.500 0.092 0.000 1.308 485 K HN 1.175 nan 8.250 nan 0.000 0.470 486 G N -1.834 106.988 108.800 0.035 0.000 2.184 486 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 486 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 486 G C 0.170 175.068 174.900 -0.003 0.000 0.975 486 G CA 0.217 45.326 45.100 0.015 0.000 0.642 486 G HN 0.323 nan 8.290 nan 0.000 0.536 487 V N 1.154 121.063 119.914 -0.008 0.000 2.394 487 V HA 0.504 4.624 4.120 -0.000 0.000 0.282 487 V C 0.914 176.957 176.094 -0.084 0.000 1.031 487 V CA -0.732 61.547 62.300 -0.035 0.000 0.881 487 V CB 1.523 33.328 31.823 -0.030 0.000 0.982 487 V HN 0.446 nan 8.190 nan 0.000 0.451 488 R N 3.617 124.055 120.500 -0.102 0.000 2.298 488 R HA 0.572 4.912 4.340 -0.000 0.000 0.310 488 R C -0.821 175.340 176.300 -0.232 0.000 1.068 488 R CA -0.142 55.857 56.100 -0.168 0.000 0.957 488 R CB 1.311 31.530 30.300 -0.136 0.000 1.003 488 R HN 0.587 nan 8.270 nan 0.000 0.454 489 V N 6.249 125.915 119.914 -0.412 0.000 2.680 489 V HA 0.527 4.647 4.120 -0.000 0.000 0.309 489 V C -1.191 174.635 176.094 -0.446 0.000 1.052 489 V CA -0.830 61.201 62.300 -0.448 0.000 0.908 489 V CB 1.785 33.257 31.823 -0.585 0.000 1.001 489 V HN 0.735 nan 8.190 nan 0.000 0.431 490 L N 6.303 127.393 121.223 -0.221 0.000 2.329 490 L HA 1.005 5.345 4.340 -0.000 0.000 0.279 490 L C 0.103 176.973 176.870 -0.000 0.000 1.014 490 L CA -0.255 54.517 54.840 -0.115 0.000 0.814 490 L CB 1.696 43.735 42.059 -0.033 0.000 1.257 490 L HN 0.976 nan 8.230 nan 0.000 0.424 491 A N 1.776 124.618 122.820 0.038 0.000 2.610 491 A HA 0.697 5.017 4.320 -0.000 0.000 0.291 491 A C -2.439 175.145 177.584 -0.000 0.000 1.086 491 A CA -0.541 51.578 52.037 0.137 0.000 0.677 491 A CB 1.009 20.152 19.000 0.237 0.000 1.278 491 A HN 0.632 nan 8.150 nan 0.000 0.414 492 W N 1.527 122.905 121.300 0.129 0.000 2.322 492 W HA 0.570 5.230 4.660 0.000 0.000 0.321 492 W C 0.230 176.804 176.519 0.090 0.000 0.991 492 W CA -0.483 56.916 57.345 0.089 0.000 1.448 492 W CB 1.521 30.984 29.460 0.005 0.000 1.239 492 W HN 0.610 nan 8.180 nan 0.000 0.399 493 K N 3.155 123.667 120.400 0.186 0.000 2.402 493 K HA 0.030 4.350 4.320 -0.000 0.000 0.285 493 K C 0.494 177.182 176.600 0.147 0.000 1.054 493 K CA 0.218 56.590 56.287 0.142 0.000 1.001 493 K CB 0.476 33.018 32.500 0.071 0.000 0.946 493 K HN 0.259 nan 8.250 nan 0.000 0.473 494 Q N 3.038 122.920 119.800 0.136 0.000 2.239 494 Q HA 0.064 4.404 4.340 -0.000 0.000 0.286 494 Q C 0.315 176.364 176.000 0.082 0.000 1.102 494 Q CA 0.712 56.583 55.803 0.113 0.000 0.936 494 Q CB 0.104 28.902 28.738 0.099 0.000 1.127 494 Q HN 0.887 nan 8.270 nan 0.000 0.380 495 G N 3.947 112.795 108.800 0.080 0.000 2.924 495 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.330 495 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.330 495 G C 0.278 175.202 174.900 0.040 0.000 0.207 495 G CA 0.620 45.755 45.100 0.058 0.000 1.226 495 G HN 0.859 nan 8.290 nan 0.000 0.313 496 D N 0.311 120.730 120.400 0.031 0.000 2.100 496 D HA -0.143 4.497 4.640 -0.000 0.000 0.762 496 D C 0.720 177.022 176.300 0.004 0.000 0.361 496 D CA 0.432 54.439 54.000 0.013 0.000 1.030 496 D CB -0.780 40.025 40.800 0.008 0.000 2.257 496 D HN 0.768 nan 8.370 nan 0.000 0.340 497 L N 0.495 121.721 121.223 0.005 0.000 0.588 497 L HA 0.045 4.385 4.340 -0.000 0.000 0.356 497 L C 0.142 176.992 176.870 -0.033 0.000 0.994 497 L CA 1.295 56.129 54.840 -0.010 0.000 1.223 497 L CB -1.339 40.717 42.059 -0.006 0.000 0.021 497 L HN 0.959 nan 8.230 nan 0.000 0.092 498 A N -0.061 122.727 122.820 -0.053 0.000 2.109 498 A HA 0.065 4.385 4.320 -0.000 0.000 0.556 498 A C -0.460 177.064 177.584 -0.100 0.000 0.434 498 A CA 0.270 52.263 52.037 -0.073 0.000 0.334 498 A CB -0.961 18.008 19.000 -0.052 0.000 3.228 498 A HN 1.156 nan 8.150 nan 0.000 0.445 499 L N 4.439 125.567 121.223 -0.158 0.000 2.375 499 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 499 L C -0.979 175.792 176.870 -0.165 0.000 1.107 499 L CA -1.389 53.328 54.840 -0.205 0.000 0.806 499 L CB -0.212 41.614 42.059 -0.387 0.000 1.146 499 L HN 0.731 nan 8.230 nan 0.000 0.447 500 P HA 0.129 nan 4.420 nan 0.000 0.271 500 P C -2.024 175.195 177.300 -0.134 0.000 1.238 500 P CA -0.961 62.068 63.100 -0.118 0.000 0.794 500 P CB -0.211 31.426 31.700 -0.105 0.000 0.959 501 P HA -0.091 nan 4.420 nan 0.000 0.219 501 P C 0.234 177.461 177.300 -0.122 0.000 1.146 501 P CA 1.581 64.623 63.100 -0.097 0.000 0.808 501 P CB 0.518 32.179 31.700 -0.065 0.000 0.779 502 E N -0.352 119.759 120.200 -0.149 0.000 2.292 502 E HA 0.412 4.762 4.350 -0.000 0.000 0.272 502 E C -0.912 175.517 176.600 -0.286 0.000 0.881 502 E CA -0.907 55.356 56.400 -0.230 0.000 0.754 502 E CB 3.073 32.654 29.700 -0.198 0.000 1.201 502 E HN -0.184 nan 8.360 nan 0.000 0.425 503 V N -0.467 119.219 119.914 -0.380 0.000 3.102 503 V HA 0.657 4.777 4.120 -0.000 0.000 0.312 503 V C -0.621 175.272 176.094 -0.335 0.000 1.135 503 V CA -0.806 61.322 62.300 -0.286 0.000 1.022 503 V CB 2.172 33.883 31.823 -0.186 0.000 1.056 503 V HN 0.651 nan 8.190 nan 0.000 0.436 504 E N 0.386 120.546 120.200 -0.066 0.000 2.248 504 E HA 0.771 5.121 4.350 -0.000 0.000 0.267 504 E C -1.793 175.067 176.600 0.434 0.000 0.877 504 E CA -0.706 55.814 56.400 0.200 0.000 0.759 504 E CB 2.541 32.341 29.700 0.166 0.000 1.182 504 E HN 0.673 nan 8.360 nan 0.000 0.418 505 V N 1.636 121.864 119.914 0.524 0.000 2.638 505 V HA 0.588 4.708 4.120 -0.000 0.000 0.306 505 V C -0.778 175.459 176.094 0.238 0.000 1.052 505 V CA -0.809 61.757 62.300 0.443 0.000 0.885 505 V CB 1.811 33.816 31.823 0.302 0.000 0.999 505 V HN 0.763 nan 8.190 nan 0.000 0.424 506 A N 3.203 125.986 122.820 -0.062 0.000 2.256 506 A HA 0.904 5.224 4.320 -0.000 0.000 0.317 506 A C 0.237 177.754 177.584 -0.112 0.000 1.318 506 A CA 0.133 51.972 52.037 -0.329 0.000 0.894 506 A CB 0.702 19.206 19.000 -0.827 0.000 1.165 506 A HN 1.216 nan 8.150 nan 0.000 0.525 507 G N 1.013 109.803 108.800 -0.016 0.000 2.672 507 G HA2 0.567 4.527 3.960 -0.000 0.000 0.292 507 G HA3 0.567 4.527 3.960 -0.000 0.000 0.292 507 G C -1.114 173.836 174.900 0.084 0.000 1.375 507 G CA -0.770 44.349 45.100 0.032 0.000 0.890 507 G HN 0.635 nan 8.290 nan 0.000 0.476 508 L N 1.106 122.370 121.223 0.068 0.000 2.276 508 L HA 0.383 4.723 4.340 -0.000 0.000 0.286 508 L C 0.459 177.424 176.870 0.158 0.000 1.061 508 L CA -0.670 54.230 54.840 0.101 0.000 0.807 508 L CB 1.590 43.673 42.059 0.040 0.000 1.177 508 L HN 0.270 nan 8.230 nan 0.000 0.429 509 L N 3.363 124.741 121.223 0.259 0.000 2.418 509 L HA 0.217 4.557 4.340 -0.000 0.000 0.274 509 L C -0.285 176.756 176.870 0.286 0.000 1.135 509 L CA 0.298 55.280 54.840 0.237 0.000 0.870 509 L CB 0.695 42.919 42.059 0.274 0.000 1.154 509 L HN 0.727 nan 8.230 nan 0.000 0.462 510 S N 3.995 119.771 115.700 0.128 0.000 2.532 510 S HA 0.354 4.824 4.470 -0.000 0.000 0.301 510 S C -0.650 173.761 174.600 -0.315 0.000 1.083 510 S CA -0.728 57.480 58.200 0.013 0.000 1.025 510 S CB 2.079 65.271 63.200 -0.013 0.000 1.056 510 S HN 0.612 nan 8.310 nan 0.000 0.494 511 E N 2.206 122.038 120.200 -0.613 0.000 2.101 511 E HA 0.213 4.563 4.350 -0.000 0.000 0.260 511 E C -1.138 175.157 176.600 -0.508 0.000 0.897 511 E CA -0.615 55.199 56.400 -0.976 0.000 0.744 511 E CB 0.219 29.080 29.700 -1.399 0.000 1.140 511 E HN 0.440 nan 8.360 nan 0.000 0.419 512 N N 2.637 121.089 118.700 -0.413 0.000 2.426 512 N HA 0.331 5.071 4.740 -0.000 0.000 0.275 512 N C -0.921 174.504 175.510 -0.142 0.000 1.019 512 N CA -0.273 52.658 53.050 -0.198 0.000 0.941 512 N CB 1.844 40.253 38.487 -0.130 0.000 1.123 512 N HN 0.437 nan 8.380 nan 0.000 0.486 513 A N 2.352 125.142 122.820 -0.051 0.000 2.312 513 A HA 0.696 5.016 4.320 -0.000 0.000 0.326 513 A C -1.104 176.569 177.584 0.150 0.000 1.172 513 A CA -0.623 51.415 52.037 0.001 0.000 0.821 513 A CB 1.278 20.253 19.000 -0.041 0.000 1.166 513 A HN 0.717 nan 8.150 nan 0.000 0.493 514 W N 2.382 123.629 121.300 -0.088 0.000 3.800 514 W HA 0.265 4.925 4.660 -0.000 0.000 0.299 514 W C -0.484 175.954 176.519 -0.136 0.000 1.231 514 W CA -0.427 56.865 57.345 -0.087 0.000 1.232 514 W CB 0.922 30.344 29.460 -0.063 0.000 1.291 514 W HN 0.976 nan 8.180 nan 0.000 0.514 515 N N 2.875 121.111 118.700 -0.773 0.000 2.721 515 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 515 N C 0.762 175.898 175.510 -0.622 0.000 1.072 515 N CA 2.969 55.678 53.050 -0.568 0.000 0.710 515 N CB -1.225 37.133 38.487 -0.216 0.000 0.993 515 N HN 1.346 nan 8.380 nan 0.000 0.547 516 G N -1.538 106.994 108.800 -0.448 0.000 2.168 516 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 516 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 516 G C -0.129 174.607 174.900 -0.272 0.000 0.997 516 G CA 0.871 45.756 45.100 -0.358 0.000 0.708 516 G HN 0.861 nan 8.290 nan 0.000 0.520 517 H N -1.590 117.474 119.070 -0.009 0.000 2.747 517 H HA 0.705 5.261 4.556 0.000 0.000 0.371 517 H C 0.061 175.383 175.328 -0.011 0.000 1.161 517 H CA -1.270 54.783 56.048 0.008 0.000 1.167 517 H CB 1.693 31.477 29.762 0.038 0.000 1.732 517 H HN 0.146 nan 8.280 nan 0.000 0.544 518 L N 1.379 122.656 121.223 0.091 0.000 2.331 518 L HA 0.781 5.121 4.340 -0.000 0.000 0.275 518 L C -0.364 176.419 176.870 -0.145 0.000 1.022 518 L CA -0.933 53.849 54.840 -0.096 0.000 0.812 518 L CB 1.659 43.630 42.059 -0.147 0.000 1.257 518 L HN 0.650 nan 8.230 nan 0.000 0.435 519 A N 1.967 124.592 122.820 -0.325 0.000 2.381 519 A HA 0.650 4.970 4.320 -0.000 0.000 0.299 519 A C -1.670 175.614 177.584 -0.501 0.000 1.049 519 A CA -0.388 51.496 52.037 -0.254 0.000 0.715 519 A CB 0.783 19.706 19.000 -0.128 0.000 1.222 519 A HN 0.549 nan 8.150 nan 0.000 0.428 520 Y N 1.851 122.080 120.300 -0.119 0.000 2.477 520 Y HA 0.468 5.018 4.550 -0.000 0.000 0.349 520 Y C 0.708 176.541 175.900 -0.112 0.000 0.977 520 Y CA 0.365 58.379 58.100 -0.144 0.000 1.214 520 Y CB 0.833 39.216 38.460 -0.128 0.000 1.124 520 Y HN 0.745 nan 8.280 nan 0.000 0.521 521 E N 1.019 121.183 120.200 -0.060 0.000 2.431 521 E HA 0.725 5.075 4.350 -0.000 0.000 0.268 521 E C -1.449 175.128 176.600 -0.038 0.000 0.953 521 E CA -1.271 55.094 56.400 -0.059 0.000 0.810 521 E CB 2.326 31.965 29.700 -0.101 0.000 1.369 521 E HN 0.144 nan 8.360 nan 0.000 0.440 522 V N 1.307 121.187 119.914 -0.057 0.000 2.495 522 V HA 0.245 4.365 4.120 -0.000 0.000 0.298 522 V C -0.839 175.233 176.094 -0.036 0.000 1.031 522 V CA -0.701 61.584 62.300 -0.025 0.000 0.871 522 V CB 1.582 33.392 31.823 -0.022 0.000 0.988 522 V HN 0.529 nan 8.190 nan 0.000 0.432 523 Q N 3.596 123.401 119.800 0.009 0.000 2.368 523 Q HA 0.656 4.996 4.340 -0.000 0.000 0.256 523 Q C -0.148 175.879 176.000 0.045 0.000 0.980 523 Q CA -0.154 55.666 55.803 0.029 0.000 0.887 523 Q CB 1.385 30.150 28.738 0.046 0.000 1.221 523 Q HN 0.953 nan 8.270 nan 0.000 0.458 524 A N 3.600 126.457 122.820 0.061 0.000 2.450 524 A HA 0.352 4.672 4.320 -0.000 0.000 0.255 524 A C 0.840 178.484 177.584 0.099 0.000 1.096 524 A CA 0.123 52.214 52.037 0.090 0.000 0.778 524 A CB 0.251 19.337 19.000 0.144 0.000 1.031 524 A HN 0.989 nan 8.150 nan 0.000 0.494 525 V N -0.676 119.267 119.914 0.047 0.000 2.949 525 V HA 0.264 4.384 4.120 -0.000 0.000 0.245 525 V C 0.376 176.501 176.094 0.052 0.000 1.086 525 V CA 1.216 63.530 62.300 0.024 0.000 1.097 525 V CB -0.183 31.612 31.823 -0.046 0.000 0.762 525 V HN 0.719 nan 8.190 nan 0.000 0.470 526 D N -0.687 119.746 120.400 0.055 0.000 2.661 526 D HA 0.647 5.287 4.640 -0.000 0.000 0.228 526 D C -1.549 174.950 176.300 0.331 0.000 1.183 526 D CA -0.335 53.774 54.000 0.181 0.000 0.844 526 D CB 2.575 43.480 40.800 0.176 0.000 1.555 526 D HN 0.384 nan 8.370 nan 0.000 0.453 527 L N 2.532 124.000 121.223 0.408 0.000 2.482 527 L HA 0.752 5.092 4.340 -0.000 0.000 0.263 527 L C -1.568 175.456 176.870 0.257 0.000 0.957 527 L CA -0.483 54.585 54.840 0.380 0.000 0.836 527 L CB 1.600 43.826 42.059 0.278 0.000 1.324 527 L HN 0.727 nan 8.230 nan 0.000 0.406 528 R N 2.593 123.172 120.500 0.132 0.000 2.728 528 R HA 0.389 4.729 4.340 -0.000 0.000 0.274 528 R C -1.878 174.358 176.300 -0.106 0.000 1.030 528 R CA -1.168 54.912 56.100 -0.034 0.000 0.876 528 R CB 1.430 31.633 30.300 -0.161 0.000 1.259 528 R HN 0.536 nan 8.270 nan 0.000 0.468 529 K N 1.585 121.919 120.400 -0.110 0.000 2.350 529 K HA 0.267 4.587 4.320 -0.000 0.000 0.279 529 K C -2.138 174.390 176.600 -0.121 0.000 1.027 529 K CA -1.458 54.764 56.287 -0.109 0.000 0.969 529 K CB 0.687 33.138 32.500 -0.082 0.000 0.954 529 K HN 0.310 nan 8.250 nan 0.000 0.474 530 P HA -0.079 nan 4.420 nan 0.000 0.264 530 P C -1.071 176.207 177.300 -0.036 0.000 1.179 530 P CA 0.623 63.742 63.100 0.032 0.000 0.763 530 P CB 0.557 32.408 31.700 0.252 0.000 0.806 531 E N 0.598 120.753 120.200 -0.075 0.000 2.368 531 E HA 0.597 4.947 4.350 -0.000 0.000 0.257 531 E C -0.768 175.810 176.600 -0.037 0.000 1.022 531 E CA -1.275 55.076 56.400 -0.081 0.000 0.886 531 E CB 0.643 30.252 29.700 -0.152 0.000 1.740 531 E HN 0.335 nan 8.360 nan 0.000 0.456 532 A N 1.021 123.825 122.820 -0.027 0.000 2.587 532 A HA 0.212 4.532 4.320 -0.000 0.000 0.233 532 A C -0.493 177.128 177.584 0.063 0.000 1.049 532 A CA 0.651 52.703 52.037 0.025 0.000 0.754 532 A CB -0.127 18.886 19.000 0.021 0.000 0.977 532 A HN 0.422 nan 8.150 nan 0.000 0.509 533 L N 2.570 123.889 121.223 0.161 0.000 2.446 533 L HA 0.329 4.669 4.340 -0.000 0.000 0.268 533 L C -0.251 176.778 176.870 0.265 0.000 0.975 533 L CA -0.345 54.622 54.840 0.212 0.000 0.848 533 L CB 1.339 43.533 42.059 0.225 0.000 1.225 533 L HN 0.879 nan 8.230 nan 0.000 0.410 534 E N 3.059 123.383 120.200 0.207 0.000 2.373 534 E HA 0.632 4.982 4.350 -0.000 0.000 0.263 534 E C 0.079 176.762 176.600 0.140 0.000 1.073 534 E CA 0.098 56.609 56.400 0.184 0.000 0.894 534 E CB 1.705 31.489 29.700 0.139 0.000 1.008 534 E HN 0.814 nan 8.360 nan 0.000 0.420 535 G N -0.036 108.851 108.800 0.145 0.000 2.347 535 G HA2 0.376 4.336 3.960 -0.000 0.000 0.477 535 G HA3 0.376 4.336 3.960 -0.000 0.000 0.477 535 G C -0.184 174.795 174.900 0.132 0.000 1.349 535 G CA -0.145 45.011 45.100 0.093 0.000 1.000 535 G HN 0.939 nan 8.290 nan 0.000 0.605 536 G N -1.426 107.428 108.800 0.089 0.000 2.685 536 G HA2 0.432 4.392 3.960 -0.000 0.000 0.387 536 G HA3 0.432 4.392 3.960 -0.000 0.000 0.387 536 G C 0.140 175.103 174.900 0.105 0.000 1.324 536 G CA 0.167 45.330 45.100 0.105 0.000 0.878 536 G HN 2.275 nan 8.290 nan 0.000 0.527 537 I N -2.020 118.612 120.570 0.103 0.000 3.449 537 I HA 0.862 5.032 4.170 -0.000 0.000 0.294 537 I C 0.944 177.126 176.117 0.107 0.000 1.163 537 I CA -0.916 60.450 61.300 0.110 0.000 1.010 537 I CB 1.522 39.601 38.000 0.133 0.000 1.307 537 I HN 1.726 nan 8.210 nan 0.000 0.518 538 A N 2.952 125.844 122.820 0.121 0.000 2.545 538 A HA 0.326 4.646 4.320 -0.000 0.000 0.253 538 A C -2.146 175.522 177.584 0.141 0.000 1.074 538 A CA -0.804 51.306 52.037 0.120 0.000 0.760 538 A CB -1.186 17.892 19.000 0.129 0.000 1.005 538 A HN 0.593 nan 8.150 nan 0.000 0.506 539 P HA 0.247 nan 4.420 nan 0.000 0.271 539 P C -0.182 177.169 177.300 0.085 0.000 1.218 539 P CA 0.154 63.200 63.100 -0.088 0.000 0.780 539 P CB 0.520 32.015 31.700 -0.341 0.000 0.901 540 F N -0.488 119.451 119.950 -0.018 0.000 2.897 540 F HA 0.605 5.132 4.527 -0.000 0.000 0.364 540 F C -0.084 175.794 175.800 0.130 0.000 0.940 540 F CA -0.499 57.580 58.000 0.133 0.000 1.106 540 F CB -0.167 38.902 39.000 0.114 0.000 1.034 540 F HN 0.305 nan 8.300 nan 0.000 0.583 541 A N 0.863 123.200 122.820 -0.804 0.000 2.304 541 A HA 0.692 5.012 4.320 -0.000 0.000 0.314 541 A C -2.058 175.319 177.584 -0.345 0.000 1.187 541 A CA -0.345 51.442 52.037 -0.416 0.000 0.810 541 A CB 0.066 18.788 19.000 -0.464 0.000 1.183 541 A HN 0.303 nan 8.150 nan 0.000 0.487 542 Y N 2.866 123.061 120.300 -0.176 0.000 2.402 542 Y HA 0.392 4.942 4.550 -0.000 0.000 0.332 542 Y C -2.379 173.355 175.900 -0.276 0.000 0.960 542 Y CA -2.640 55.339 58.100 -0.203 0.000 1.228 542 Y CB 1.202 39.563 38.460 -0.164 0.000 1.120 542 Y HN 0.494 nan 8.280 nan 0.000 0.491 543 P HA 0.021 nan 4.420 nan 0.000 0.265 543 P C -0.908 176.216 177.300 -0.294 0.000 1.193 543 P CA 0.189 63.009 63.100 -0.465 0.000 0.765 543 P CB 0.662 31.931 31.700 -0.718 0.000 0.823 544 L N 6.345 127.450 121.223 -0.197 0.000 2.436 544 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 544 L C -2.738 174.056 176.870 -0.125 0.000 0.974 544 L CA -2.634 52.119 54.840 -0.144 0.000 0.826 544 L CB 2.104 44.133 42.059 -0.049 0.000 1.291 544 L HN 0.184 nan 8.230 nan 0.000 0.406 545 P HA 0.035 nan 4.420 nan 0.000 0.266 545 P C 0.534 177.851 177.300 0.028 0.000 1.195 545 P CA -0.148 62.894 63.100 -0.097 0.000 0.768 545 P CB 0.579 32.215 31.700 -0.106 0.000 0.838 546 L N 4.472 125.754 121.223 0.098 0.000 2.043 546 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 546 L C 1.830 178.727 176.870 0.045 0.000 1.075 546 L CA 1.875 56.767 54.840 0.085 0.000 0.752 546 L CB -1.121 40.983 42.059 0.074 0.000 0.891 546 L HN 0.367 nan 8.230 nan 0.000 0.432 547 L N -0.840 120.399 121.223 0.026 0.000 2.012 547 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 547 L C 2.546 179.423 176.870 0.012 0.000 1.073 547 L CA 1.827 56.678 54.840 0.019 0.000 0.748 547 L CB -0.771 41.292 42.059 0.007 0.000 0.891 547 L HN 0.344 nan 8.230 nan 0.000 0.431 548 E N 0.080 120.278 120.200 -0.003 0.000 2.077 548 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 548 E C 2.308 178.901 176.600 -0.011 0.000 0.989 548 E CA 1.154 57.545 56.400 -0.015 0.000 0.800 548 E CB -0.177 29.503 29.700 -0.032 0.000 0.746 548 E HN 0.511 nan 8.360 nan 0.000 0.452 549 A N 1.144 123.968 122.820 0.006 0.000 1.902 549 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 549 A C 2.184 179.760 177.584 -0.012 0.000 1.181 549 A CA 1.084 53.127 52.037 0.010 0.000 0.623 549 A CB -0.613 18.419 19.000 0.053 0.000 0.818 549 A HN 0.135 nan 8.150 nan 0.000 0.443 550 L N -0.885 120.352 121.223 0.024 0.000 2.093 550 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 550 L C 3.075 179.939 176.870 -0.010 0.000 1.085 550 L CA 0.870 55.739 54.840 0.049 0.000 0.755 550 L CB -0.523 41.620 42.059 0.141 0.000 0.904 550 L HN 0.446 nan 8.230 nan 0.000 0.435 551 A N 0.368 123.185 122.820 -0.005 0.000 1.877 551 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 551 A C 2.381 179.928 177.584 -0.063 0.000 1.186 551 A CA 1.573 53.601 52.037 -0.015 0.000 0.620 551 A CB -0.443 18.553 19.000 -0.008 0.000 0.822 551 A HN 0.316 nan 8.150 nan 0.000 0.443 552 R N -0.611 119.842 120.500 -0.079 0.000 2.115 552 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 552 R C 2.381 178.573 176.300 -0.179 0.000 1.111 552 R CA 1.066 57.108 56.100 -0.097 0.000 0.976 552 R CB -0.384 29.874 30.300 -0.070 0.000 0.870 552 R HN 0.512 nan 8.270 nan 0.000 0.445 553 A N 0.983 123.617 122.820 -0.309 0.000 1.969 553 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 553 A C 1.952 179.098 177.584 -0.730 0.000 1.169 553 A CA 0.971 52.612 52.037 -0.659 0.000 0.635 553 A CB -0.212 18.105 19.000 -1.138 0.000 0.810 553 A HN 0.178 nan 8.150 nan 0.000 0.445 554 R N -1.184 119.066 120.500 -0.416 0.000 2.189 554 R HA 0.040 4.380 4.340 -0.000 0.000 0.218 554 R C 1.127 177.391 176.300 -0.059 0.000 1.074 554 R CA 0.585 56.614 56.100 -0.118 0.000 0.991 554 R CB -0.221 30.108 30.300 0.048 0.000 0.883 554 R HN 0.342 nan 8.270 nan 0.000 0.457 555 L N -0.630 120.542 121.223 -0.086 0.000 2.552 555 L HA 0.131 4.471 4.340 -0.000 0.000 0.227 555 L C 1.284 178.128 176.870 -0.042 0.000 1.146 555 L CA 1.347 56.159 54.840 -0.046 0.000 0.858 555 L CB -0.078 41.955 42.059 -0.044 0.000 0.969 555 L HN 0.465 nan 8.230 nan 0.000 0.451 556 G N -0.787 107.970 108.800 -0.072 0.000 2.163 556 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.213 556 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.213 556 G C 0.380 175.260 174.900 -0.034 0.000 0.991 556 G CA 0.092 45.171 45.100 -0.034 0.000 0.653 556 G HN 0.349 nan 8.290 nan 0.000 0.518 557 E N 0.817 120.977 120.200 -0.066 0.000 2.414 557 E HA 0.445 4.795 4.350 -0.000 0.000 0.263 557 E C 1.286 177.882 176.600 -0.006 0.000 1.000 557 E CA 0.161 56.539 56.400 -0.036 0.000 0.914 557 E CB 0.228 29.899 29.700 -0.049 0.000 0.948 557 E HN 0.540 nan 8.360 nan 0.000 0.444 558 G N 2.888 111.709 108.800 0.036 0.000 2.272 558 G HA2 0.306 4.266 3.960 -0.000 0.000 0.247 558 G HA3 0.306 4.266 3.960 -0.000 0.000 0.247 558 G C -0.387 174.581 174.900 0.113 0.000 1.272 558 G CA 0.152 45.299 45.100 0.080 0.000 0.921 558 G HN 0.466 nan 8.290 nan 0.000 0.495 559 V N 1.051 121.054 119.914 0.147 0.000 3.007 559 V HA 0.761 4.881 4.120 -0.000 0.000 0.311 559 V C -1.161 175.099 176.094 0.277 0.000 1.120 559 V CA -1.689 60.737 62.300 0.209 0.000 0.980 559 V CB 1.680 33.577 31.823 0.123 0.000 1.033 559 V HN 0.746 nan 8.190 nan 0.000 0.429 560 Y N 2.635 123.049 120.300 0.189 0.000 2.335 560 Y HA 0.829 5.379 4.550 0.000 0.000 0.338 560 Y C -1.047 174.877 175.900 0.040 0.000 0.977 560 Y CA -0.784 57.359 58.100 0.071 0.000 1.114 560 Y CB 2.033 40.464 38.460 -0.048 0.000 1.182 560 Y HN 0.662 nan 8.280 nan 0.000 0.463 561 V N 8.782 128.310 119.914 -0.644 0.000 2.443 561 V HA 0.377 4.497 4.120 -0.000 0.000 0.293 561 V C -2.186 173.346 176.094 -0.938 0.000 1.021 561 V CA -1.999 59.914 62.300 -0.645 0.000 0.848 561 V CB 1.527 33.152 31.823 -0.330 0.000 0.998 561 V HN 0.741 nan 8.190 nan 0.000 0.424 562 P HA 0.094 nan 4.420 nan 0.000 0.267 562 P C 0.630 177.765 177.300 -0.274 0.000 1.200 562 P CA 0.027 62.801 63.100 -0.542 0.000 0.772 562 P CB 1.090 32.637 31.700 -0.255 0.000 0.855 563 E N 0.752 120.876 120.200 -0.127 0.000 2.187 563 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 563 E C 0.428 176.982 176.600 -0.076 0.000 1.004 563 E CA 1.216 57.565 56.400 -0.084 0.000 0.813 563 E CB -0.331 29.366 29.700 -0.005 0.000 0.736 563 E HN 0.577 nan 8.360 nan 0.000 0.468 564 D N 0.791 121.153 120.400 -0.063 0.000 2.372 564 D HA -0.084 4.556 4.640 -0.000 0.000 0.243 564 D C 0.555 176.808 176.300 -0.077 0.000 1.297 564 D CA -0.170 53.803 54.000 -0.046 0.000 0.958 564 D CB -0.016 40.771 40.800 -0.022 0.000 1.114 564 D HN 0.075 nan 8.370 nan 0.000 0.496 565 N N 0.069 118.735 118.700 -0.058 0.000 2.669 565 N HA -0.158 4.582 4.740 -0.000 0.000 0.266 565 N C -1.806 173.657 175.510 -0.078 0.000 1.024 565 N CA -0.635 52.375 53.050 -0.067 0.000 0.766 565 N CB -0.011 38.423 38.487 -0.087 0.000 0.898 565 N HN 0.130 nan 8.380 nan 0.000 0.548 566 P HA -0.190 nan 4.420 nan 0.000 0.218 566 P C 0.651 177.936 177.300 -0.026 0.000 1.146 566 P CA 1.217 64.297 63.100 -0.032 0.000 0.813 566 P CB 0.133 31.846 31.700 0.020 0.000 0.778 567 E N -0.851 119.335 120.200 -0.023 0.000 2.051 567 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 567 E C 2.354 178.942 176.600 -0.021 0.000 0.991 567 E CA 1.383 57.778 56.400 -0.008 0.000 0.799 567 E CB -1.031 28.655 29.700 -0.022 0.000 0.748 567 E HN 0.287 nan 8.360 nan 0.000 0.449 568 G N 1.623 110.378 108.800 -0.076 0.000 2.402 568 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 568 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 568 G C 1.574 176.399 174.900 -0.125 0.000 1.162 568 G CA 0.456 45.500 45.100 -0.093 0.000 0.777 568 G HN 0.097 nan 8.290 nan 0.000 0.539 569 L N 1.199 122.284 121.223 -0.230 0.000 1.994 569 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 569 L C 2.339 178.978 176.870 -0.385 0.000 1.071 569 L CA 2.733 57.284 54.840 -0.482 0.000 0.745 569 L CB -0.904 40.789 42.059 -0.609 0.000 0.892 569 L HN 0.376 nan 8.230 nan 0.000 0.431 570 D N -2.163 118.199 120.400 -0.063 0.000 2.106 570 D HA -0.353 4.287 4.640 -0.000 0.000 0.191 570 D C 2.214 178.570 176.300 0.092 0.000 0.997 570 D CA 1.849 55.962 54.000 0.188 0.000 0.834 570 D CB -0.398 40.499 40.800 0.162 0.000 0.956 570 D HN 0.483 nan 8.370 nan 0.000 0.448 571 Y N 0.708 120.939 120.300 -0.114 0.000 2.114 571 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 571 Y C 2.168 177.838 175.900 -0.383 0.000 1.165 571 Y CA 2.192 60.181 58.100 -0.185 0.000 1.148 571 Y CB -0.755 37.596 38.460 -0.181 0.000 0.972 571 Y HN 0.089 nan 8.280 nan 0.000 0.504 572 A N 0.415 122.989 122.820 -0.410 0.000 1.865 572 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 572 A C 2.103 179.379 177.584 -0.513 0.000 1.191 572 A CA 1.804 53.291 52.037 -0.917 0.000 0.623 572 A CB -1.574 17.118 19.000 -0.514 0.000 0.826 572 A HN 0.740 nan 8.150 nan 0.000 0.444 573 W N -0.149 120.988 121.300 -0.271 0.000 2.333 573 W HA -0.087 4.573 4.660 -0.000 0.000 0.316 573 W C 1.669 178.070 176.519 -0.196 0.000 1.215 573 W CA 1.621 58.870 57.345 -0.159 0.000 1.278 573 W CB -0.923 28.482 29.460 -0.092 0.000 1.154 573 W HN 0.282 nan 8.180 nan 0.000 0.486 574 K N 0.556 120.973 120.400 0.027 0.000 3.077 574 K HA 0.203 4.523 4.320 -0.000 0.000 0.269 574 K C 0.461 176.908 176.600 -0.255 0.000 0.973 574 K CA 0.786 57.020 56.287 -0.088 0.000 1.162 574 K CB -0.576 31.885 32.500 -0.065 0.000 1.079 574 K HN 0.018 nan 8.250 nan 0.000 0.456 575 A N -1.002 121.663 122.820 -0.258 0.000 2.577 575 A HA 0.326 4.646 4.320 -0.000 0.000 0.195 575 A C 0.923 178.482 177.584 -0.041 0.000 1.407 575 A CA -0.044 51.825 52.037 -0.280 0.000 1.056 575 A CB -0.274 18.320 19.000 -0.676 0.000 1.165 575 A HN 0.404 nan 8.150 nan 0.000 0.472 576 G N -0.220 108.593 108.800 0.021 0.000 2.160 576 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 576 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 576 G C 0.083 175.170 174.900 0.313 0.000 1.022 576 G CA 0.281 45.470 45.100 0.148 0.000 0.741 576 G HN 0.628 nan 8.290 nan 0.000 0.508 577 F N -0.273 119.700 119.950 0.037 0.000 2.506 577 F HA 0.224 4.751 4.527 0.000 0.000 0.351 577 F C 1.569 177.410 175.800 0.068 0.000 1.136 577 F CA -0.662 57.364 58.000 0.043 0.000 1.298 577 F CB 0.567 39.584 39.000 0.029 0.000 1.145 577 F HN 0.021 nan 8.300 nan 0.000 0.593 578 R N 4.171 124.802 120.500 0.220 0.000 3.266 578 R HA 0.147 4.487 4.340 -0.000 0.000 0.224 578 R C -0.835 175.569 176.300 0.173 0.000 1.525 578 R CA -0.609 55.587 56.100 0.160 0.000 1.364 578 R CB -0.377 29.982 30.300 0.097 0.000 1.276 578 R HN 0.445 nan 8.270 nan 0.000 0.660 579 L N 5.137 126.480 121.223 0.199 0.000 2.455 579 L HA 0.183 4.523 4.340 -0.000 0.000 0.272 579 L C 0.198 177.168 176.870 0.168 0.000 1.174 579 L CA 0.656 55.599 54.840 0.172 0.000 0.869 579 L CB 0.367 42.507 42.059 0.135 0.000 1.130 579 L HN 0.594 nan 8.230 nan 0.000 0.474 580 L N 4.850 126.184 121.223 0.184 0.000 2.409 580 L HA 0.565 4.905 4.340 -0.000 0.000 0.255 580 L C -2.384 174.610 176.870 0.206 0.000 1.027 580 L CA -1.724 53.222 54.840 0.175 0.000 0.834 580 L CB 3.041 45.199 42.059 0.165 0.000 1.426 580 L HN 0.417 nan 8.230 nan 0.000 0.411 581 P HA 0.170 nan 4.420 nan 0.000 0.278 581 P C -2.355 174.883 177.300 -0.104 0.000 1.238 581 P CA -1.529 61.585 63.100 0.023 0.000 0.794 581 P CB 0.883 32.584 31.700 0.001 0.000 0.955 582 P HA -0.235 nan 4.420 nan 0.000 0.217 582 P C 1.251 178.595 177.300 0.074 0.000 1.151 582 P CA 1.871 64.583 63.100 -0.646 0.000 0.849 582 P CB -0.129 30.639 31.700 -1.554 0.000 0.787 583 E N 0.989 121.179 120.200 -0.015 0.000 2.409 583 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 583 E C 1.535 178.203 176.600 0.113 0.000 1.024 583 E CA 1.142 57.592 56.400 0.082 0.000 0.861 583 E CB -0.508 29.195 29.700 0.005 0.000 0.788 583 E HN 0.582 nan 8.360 nan 0.000 0.521 584 E N 0.425 120.696 120.200 0.119 0.000 2.453 584 E HA 0.295 4.645 4.350 -0.000 0.000 0.211 584 E C 0.423 177.120 176.600 0.161 0.000 0.897 584 E CA 0.057 56.528 56.400 0.119 0.000 1.063 584 E CB 0.246 29.995 29.700 0.083 0.000 1.080 584 E HN 0.138 nan 8.360 nan 0.000 0.512 585 A N 1.345 124.310 122.820 0.243 0.000 2.409 585 A HA 0.499 4.819 4.320 -0.000 0.000 0.262 585 A C 1.045 178.799 177.584 0.282 0.000 1.113 585 A CA 0.202 52.411 52.037 0.287 0.000 0.790 585 A CB 0.749 19.992 19.000 0.405 0.000 1.046 585 A HN 0.323 nan 8.150 nan 0.000 0.496 586 G N 0.953 109.840 108.800 0.146 0.000 2.985 586 G HA2 0.367 4.327 3.960 -0.000 0.000 0.209 586 G HA3 0.367 4.327 3.960 -0.000 0.000 0.209 586 G C 0.008 174.904 174.900 -0.008 0.000 1.165 586 G CA 0.373 45.493 45.100 0.034 0.000 0.776 586 G HN 0.627 nan 8.290 nan 0.000 0.541 587 L N 0.062 121.365 121.223 0.133 0.000 2.409 587 L HA 0.772 5.112 4.340 -0.000 0.000 0.272 587 L C -1.925 175.222 176.870 0.461 0.000 0.980 587 L CA -1.281 53.652 54.840 0.156 0.000 0.826 587 L CB 1.581 43.703 42.059 0.106 0.000 1.268 587 L HN -0.043 nan 8.230 nan 0.000 0.407 588 W N 5.756 127.168 121.300 0.186 0.000 2.736 588 W HA 0.534 5.194 4.660 0.000 0.000 0.335 588 W C 0.002 176.607 176.519 0.145 0.000 1.059 588 W CA -0.915 56.583 57.345 0.254 0.000 1.226 588 W CB 1.580 31.259 29.460 0.365 0.000 1.416 588 W HN 0.383 nan 8.180 nan 0.000 0.505 589 L N 2.288 123.678 121.223 0.278 0.000 2.808 589 L HA 0.483 4.823 4.340 -0.000 0.000 0.246 589 L C 0.864 177.761 176.870 0.045 0.000 1.153 589 L CA 0.163 55.081 54.840 0.128 0.000 0.956 589 L CB 0.003 42.111 42.059 0.082 0.000 1.270 589 L HN 0.503 nan 8.230 nan 0.000 0.528 590 G N -0.163 108.689 108.800 0.088 0.000 2.548 590 G HA2 0.492 4.452 3.960 -0.000 0.000 0.301 590 G HA3 0.492 4.452 3.960 -0.000 0.000 0.301 590 G C -1.702 173.303 174.900 0.175 0.000 1.349 590 G CA -0.709 44.406 45.100 0.025 0.000 0.792 590 G HN -0.122 nan 8.290 nan 0.000 0.481 591 L N 1.960 123.265 121.223 0.138 0.000 2.295 591 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 591 L C -1.892 175.199 176.870 0.367 0.000 1.035 591 L CA -1.771 53.223 54.840 0.257 0.000 0.806 591 L CB 1.835 43.929 42.059 0.059 0.000 1.214 591 L HN 0.305 nan 8.230 nan 0.000 0.426 592 P HA 0.159 nan 4.420 nan 0.000 0.274 592 P C -2.206 175.329 177.300 0.391 0.000 1.246 592 P CA -1.397 61.844 63.100 0.234 0.000 0.795 592 P CB 0.304 31.812 31.700 -0.321 0.000 1.006 593 P HA -0.025 nan 4.420 nan 0.000 0.217 593 P C 0.260 177.582 177.300 0.036 0.000 1.151 593 P CA 1.426 64.612 63.100 0.143 0.000 0.828 593 P CB 0.535 32.265 31.700 0.050 0.000 0.788 594 R N -0.495 119.840 120.500 -0.274 0.000 2.888 594 R HA 0.493 4.833 4.340 -0.000 0.000 0.266 594 R C -2.495 173.032 176.300 -1.287 0.000 1.020 594 R CA -2.625 53.155 56.100 -0.534 0.000 0.963 594 R CB 0.957 31.063 30.300 -0.323 0.000 1.197 594 R HN -0.042 nan 8.270 nan 0.000 0.481 595 P HA -0.030 nan 4.420 nan 0.000 0.265 595 P C -0.733 176.121 177.300 -0.743 0.000 1.187 595 P CA 0.159 62.261 63.100 -1.664 0.000 0.766 595 P CB 0.574 31.724 31.700 -0.917 0.000 0.820 596 V N 4.409 124.095 119.914 -0.381 0.000 2.516 596 V HA 0.250 4.370 4.120 -0.000 0.000 0.271 596 V C 0.401 176.515 176.094 0.034 0.000 0.992 596 V CA -0.308 61.947 62.300 -0.075 0.000 0.857 596 V CB 0.857 32.729 31.823 0.082 0.000 1.047 596 V HN 0.407 nan 8.190 nan 0.000 0.455 597 L N 2.132 123.292 121.223 -0.105 0.000 2.376 597 L HA 0.813 5.153 4.340 -0.000 0.000 0.267 597 L C 1.312 178.134 176.870 -0.079 0.000 1.035 597 L CA -0.447 54.276 54.840 -0.196 0.000 0.800 597 L CB 1.205 43.126 42.059 -0.230 0.000 1.290 597 L HN 0.744 nan 8.230 nan 0.000 0.462 598 G N 0.716 109.474 108.800 -0.070 0.000 2.314 598 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.292 598 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.292 598 G C 0.664 175.589 174.900 0.041 0.000 1.059 598 G CA 0.172 45.273 45.100 0.001 0.000 0.982 598 G HN 0.621 nan 8.290 nan 0.000 0.505 599 R N -0.754 119.793 120.500 0.079 0.000 2.207 599 R HA 0.317 4.657 4.340 -0.000 0.000 0.180 599 R C 1.193 177.558 176.300 0.108 0.000 1.445 599 R CA 0.355 56.523 56.100 0.114 0.000 1.217 599 R CB -0.055 30.348 30.300 0.172 0.000 1.135 599 R HN 0.489 nan 8.270 nan 0.000 0.481 600 R N 1.350 121.960 120.500 0.183 0.000 2.168 600 R HA -0.091 4.249 4.340 -0.000 0.000 0.364 600 R C -1.054 175.256 176.300 0.016 0.000 1.103 600 R CA 0.559 56.757 56.100 0.163 0.000 0.832 600 R CB -1.776 28.578 30.300 0.090 0.000 2.561 600 R HN 0.225 nan 8.270 nan 0.000 0.484 601 V N -0.043 119.853 119.914 -0.029 0.000 3.160 601 V HA 0.781 4.901 4.120 -0.000 0.000 0.310 601 V C 0.054 176.055 176.094 -0.154 0.000 1.181 601 V CA -0.975 61.174 62.300 -0.251 0.000 1.047 601 V CB 2.553 33.901 31.823 -0.793 0.000 1.068 601 V HN 0.441 nan 8.190 nan 0.000 0.441 602 E N 0.664 120.756 120.200 -0.180 0.000 2.166 602 E HA 0.699 5.049 4.350 -0.000 0.000 0.275 602 E C -1.472 175.104 176.600 -0.041 0.000 0.941 602 E CA -0.700 55.661 56.400 -0.065 0.000 0.784 602 E CB 2.336 32.003 29.700 -0.055 0.000 1.115 602 E HN 0.607 nan 8.360 nan 0.000 0.399 603 V N 1.888 121.816 119.914 0.022 0.000 2.540 603 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 603 V C -0.323 175.881 176.094 0.183 0.000 1.035 603 V CA -0.689 61.708 62.300 0.162 0.000 0.873 603 V CB 1.558 33.556 31.823 0.291 0.000 0.992 603 V HN 0.786 nan 8.190 nan 0.000 0.428 604 A N 3.768 126.718 122.820 0.217 0.000 2.384 604 A HA 0.928 5.248 4.320 -0.000 0.000 0.312 604 A C -0.113 177.486 177.584 0.024 0.000 1.113 604 A CA -0.475 51.700 52.037 0.231 0.000 0.779 604 A CB 1.691 20.793 19.000 0.170 0.000 1.307 604 A HN 0.758 nan 8.150 nan 0.000 0.436 605 L N 0.583 121.688 121.223 -0.196 0.000 2.675 605 L HA 0.602 4.942 4.340 -0.000 0.000 0.178 605 L C 1.203 177.992 176.870 -0.135 0.000 1.135 605 L CA 0.643 55.304 54.840 -0.297 0.000 0.855 605 L CB 0.221 41.886 42.059 -0.658 0.000 1.235 605 L HN 1.043 nan 8.230 nan 0.000 0.499 606 G N -0.743 108.005 108.800 -0.086 0.000 2.356 606 G HA2 0.151 4.111 3.960 -0.000 0.000 0.266 606 G HA3 0.151 4.111 3.960 -0.000 0.000 0.266 606 G C -0.696 174.218 174.900 0.024 0.000 1.312 606 G CA -0.039 45.051 45.100 -0.015 0.000 0.922 606 G HN -0.029 nan 8.290 nan 0.000 0.480 607 R N -1.269 119.231 120.500 0.000 0.000 2.702 607 R HA 0.369 4.709 4.340 -0.000 0.000 0.223 607 R C 0.848 177.140 176.300 -0.013 0.000 0.953 607 R CA 1.327 57.434 56.100 0.011 0.000 1.068 607 R CB 0.373 30.682 30.300 0.015 0.000 1.600 607 R HN 0.409 nan 8.270 nan 0.000 0.602 608 E N -0.579 119.600 120.200 -0.035 0.000 2.743 608 E HA 0.455 4.805 4.350 -0.000 0.000 0.222 608 E C -0.595 175.965 176.600 -0.067 0.000 0.959 608 E CA 0.334 56.706 56.400 -0.046 0.000 1.198 608 E CB 1.333 31.004 29.700 -0.049 0.000 1.100 608 E HN 0.291 nan 8.360 nan 0.000 0.518 609 A N 1.054 123.830 122.820 -0.074 0.000 2.406 609 A HA 0.230 4.550 4.320 -0.000 0.000 0.243 609 A C 1.238 178.772 177.584 -0.083 0.000 1.082 609 A CA -0.196 51.787 52.037 -0.090 0.000 0.786 609 A CB 0.544 19.490 19.000 -0.090 0.000 1.029 609 A HN 0.005 nan 8.150 nan 0.000 0.495 610 R N 1.004 121.454 120.500 -0.084 0.000 2.148 610 R HA -0.070 4.270 4.340 -0.000 0.000 0.223 610 R C 2.274 178.524 176.300 -0.084 0.000 1.088 610 R CA 1.491 57.547 56.100 -0.073 0.000 0.985 610 R CB -1.137 29.125 30.300 -0.064 0.000 0.880 610 R HN 0.852 nan 8.270 nan 0.000 0.451 611 A N 0.825 123.586 122.820 -0.099 0.000 1.892 611 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 611 A C 2.219 179.711 177.584 -0.154 0.000 1.188 611 A CA 1.744 53.709 52.037 -0.120 0.000 0.631 611 A CB -0.549 18.376 19.000 -0.126 0.000 0.822 611 A HN 0.299 nan 8.150 nan 0.000 0.447 612 R N -0.616 119.794 120.500 -0.149 0.000 2.200 612 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 612 R C 0.327 176.557 176.300 -0.117 0.000 1.127 612 R CA 0.647 56.659 56.100 -0.148 0.000 0.989 612 R CB -0.292 29.944 30.300 -0.107 0.000 0.869 612 R HN 0.349 nan 8.270 nan 0.000 0.459 613 L N 2.274 123.439 121.223 -0.098 0.000 2.974 613 L HA -0.000 4.340 4.340 -0.000 0.000 0.250 613 L C 0.790 177.599 176.870 -0.102 0.000 1.376 613 L CA 0.927 55.721 54.840 -0.076 0.000 1.170 613 L CB -0.587 41.440 42.059 -0.054 0.000 1.577 613 L HN 0.267 nan 8.230 nan 0.000 0.429 614 S N -2.455 113.146 115.700 -0.165 0.000 2.650 614 S HA 0.247 4.717 4.470 -0.000 0.000 0.240 614 S C 1.244 175.731 174.600 -0.188 0.000 1.007 614 S CA 0.196 58.204 58.200 -0.320 0.000 0.984 614 S CB 0.710 63.594 63.200 -0.528 0.000 0.910 614 S HN 0.324 nan 8.310 nan 0.000 0.509 615 A N 2.452 125.227 122.820 -0.075 0.000 2.387 615 A HA 0.428 4.748 4.320 -0.000 0.000 0.234 615 A C -1.639 175.957 177.584 0.020 0.000 1.253 615 A CA -0.618 51.417 52.037 -0.004 0.000 0.894 615 A CB -0.550 18.448 19.000 -0.002 0.000 0.963 615 A HN 0.611 nan 8.150 nan 0.000 0.508 616 P HA 0.337 nan 4.420 nan 0.000 0.284 616 P C -2.909 174.407 177.300 0.027 0.000 1.253 616 P CA -1.145 61.967 63.100 0.019 0.000 0.800 616 P CB 0.746 32.451 31.700 0.008 0.000 0.961 617 P HA -0.013 nan 4.420 nan 0.000 0.267 617 P C 0.642 177.898 177.300 -0.073 0.000 1.205 617 P CA -0.071 63.022 63.100 -0.013 0.000 0.765 617 P CB 0.577 32.287 31.700 0.015 0.000 0.828 618 V N 2.218 122.025 119.914 -0.178 0.000 4.057 618 V HA 0.227 4.347 4.120 -0.000 0.000 0.264 618 V C 0.807 176.725 176.094 -0.294 0.000 0.923 618 V CA -0.100 62.064 62.300 -0.228 0.000 0.799 618 V CB -0.733 30.929 31.823 -0.269 0.000 1.166 618 V HN 0.379 nan 8.190 nan 0.000 0.375 619 L N 0.525 121.583 121.223 -0.275 0.000 2.861 619 L HA 0.453 4.793 4.340 -0.000 0.000 0.290 619 L C 0.401 177.203 176.870 -0.115 0.000 1.346 619 L CA -0.661 54.082 54.840 -0.162 0.000 0.779 619 L CB -0.502 41.514 42.059 -0.072 0.000 1.143 619 L HN 0.735 nan 8.230 nan 0.000 0.548 620 H N 0.396 119.454 119.070 -0.020 0.000 2.256 620 H HA -0.356 4.200 4.556 -0.000 0.000 0.397 620 H C 1.673 176.983 175.328 -0.030 0.000 2.423 620 H CA 1.769 57.801 56.048 -0.027 0.000 1.266 620 H CB -0.280 29.469 29.762 -0.023 0.000 1.457 620 H HN 0.522 nan 8.280 nan 0.000 0.395 621 T N -0.718 113.932 114.554 0.160 0.000 12.818 621 T HA -0.248 4.102 4.350 -0.000 0.000 0.419 621 T C -1.617 173.096 174.700 0.022 0.000 1.441 621 T CA 2.188 64.325 62.100 0.062 0.000 2.373 621 T CB -2.056 66.837 68.868 0.043 0.000 2.831 621 T HN 0.535 nan 8.240 nan 0.000 0.727 622 P HA 0.173 nan 4.420 nan 0.000 0.293 622 P C 0.622 177.896 177.300 -0.043 0.000 1.285 622 P CA 0.743 63.832 63.100 -0.020 0.000 0.775 622 P CB -0.066 31.619 31.700 -0.026 0.000 1.351 623 E N -0.618 119.541 120.200 -0.068 0.000 2.482 623 E HA -0.037 4.313 4.350 -0.000 0.000 0.200 623 E C 1.211 177.732 176.600 -0.133 0.000 1.147 623 E CA 0.610 56.942 56.400 -0.113 0.000 0.912 623 E CB -0.853 28.771 29.700 -0.127 0.000 0.938 623 E HN 0.284 nan 8.360 nan 0.000 0.519 624 A N 1.375 124.135 122.820 -0.100 0.000 2.015 624 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 624 A C 2.130 179.635 177.584 -0.131 0.000 1.163 624 A CA 0.807 52.773 52.037 -0.118 0.000 0.646 624 A CB -0.217 18.724 19.000 -0.097 0.000 0.806 624 A HN 0.236 nan 8.150 nan 0.000 0.448 625 R N -0.819 119.627 120.500 -0.090 0.000 2.148 625 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 625 R C 1.994 178.210 176.300 -0.139 0.000 1.088 625 R CA 0.808 56.870 56.100 -0.065 0.000 0.985 625 R CB -0.392 29.905 30.300 -0.005 0.000 0.880 625 R HN 0.543 nan 8.270 nan 0.000 0.451 626 L N 1.103 122.193 121.223 -0.223 0.000 2.056 626 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 626 L C 2.453 179.121 176.870 -0.337 0.000 1.078 626 L CA 1.490 56.105 54.840 -0.376 0.000 0.749 626 L CB -0.196 41.576 42.059 -0.477 0.000 0.901 626 L HN 0.127 nan 8.230 nan 0.000 0.433 627 K N -0.268 119.947 120.400 -0.309 0.000 2.026 627 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 627 K C 2.009 178.310 176.600 -0.499 0.000 1.048 627 K CA 1.431 57.473 56.287 -0.408 0.000 0.929 627 K CB -0.123 32.140 32.500 -0.395 0.000 0.713 627 K HN 0.399 nan 8.250 nan 0.000 0.439 628 A N 1.634 124.270 122.820 -0.308 0.000 1.908 628 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 628 A C 2.145 179.698 177.584 -0.052 0.000 1.181 628 A CA 1.361 53.305 52.037 -0.154 0.000 0.627 628 A CB -0.595 18.368 19.000 -0.062 0.000 0.818 628 A HN 0.394 nan 8.150 nan 0.000 0.445 629 L N -0.228 120.958 121.223 -0.061 0.000 2.017 629 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 629 L C 2.367 179.272 176.870 0.059 0.000 1.073 629 L CA 1.652 56.508 54.840 0.027 0.000 0.745 629 L CB -0.238 41.848 42.059 0.045 0.000 0.894 629 L HN 0.210 nan 8.230 nan 0.000 0.432 630 V N -0.231 119.680 119.914 -0.005 0.000 2.343 630 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 630 V C 2.283 178.480 176.094 0.171 0.000 1.051 630 V CA 2.270 64.612 62.300 0.071 0.000 1.036 630 V CB -1.041 30.800 31.823 0.031 0.000 0.654 630 V HN 0.584 nan 8.190 nan 0.000 0.451 631 H N -0.295 118.808 119.070 0.055 0.000 2.321 631 H HA -0.181 4.375 4.556 -0.000 0.000 0.300 631 H C 2.642 178.002 175.328 0.054 0.000 1.087 631 H CA 1.617 57.689 56.048 0.041 0.000 1.319 631 H CB -0.011 29.776 29.762 0.041 0.000 1.379 631 H HN 0.237 nan 8.280 nan 0.000 0.501 632 R N 1.127 121.751 120.500 0.206 0.000 2.096 632 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 632 R C 2.177 178.594 176.300 0.194 0.000 1.127 632 R CA 0.956 57.158 56.100 0.170 0.000 0.968 632 R CB 0.017 30.397 30.300 0.133 0.000 0.861 632 R HN 0.167 nan 8.270 nan 0.000 0.440 633 R N 0.890 121.494 120.500 0.175 0.000 2.073 633 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 633 R C 2.395 178.825 176.300 0.217 0.000 1.134 633 R CA 1.161 57.378 56.100 0.195 0.000 0.952 633 R CB -0.942 29.446 30.300 0.147 0.000 0.850 633 R HN 0.323 nan 8.270 nan 0.000 0.433 634 L N 0.438 121.742 121.223 0.135 0.000 1.989 634 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 634 L C 2.389 179.405 176.870 0.243 0.000 1.071 634 L CA 1.083 55.985 54.840 0.102 0.000 0.749 634 L CB -0.478 41.535 42.059 -0.078 0.000 0.890 634 L HN 0.162 nan 8.230 nan 0.000 0.431 635 L N -1.137 120.191 121.223 0.175 0.000 2.046 635 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 635 L C 2.499 179.492 176.870 0.205 0.000 1.077 635 L CA 1.927 56.875 54.840 0.180 0.000 0.747 635 L CB -1.273 40.866 42.059 0.132 0.000 0.896 635 L HN 0.248 nan 8.230 nan 0.000 0.432 636 F N 0.973 120.973 119.950 0.083 0.000 2.075 636 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 636 F C 2.441 178.237 175.800 -0.006 0.000 1.113 636 F CA 1.542 59.543 58.000 0.002 0.000 1.218 636 F CB -0.258 38.734 39.000 -0.013 0.000 0.984 636 F HN 0.022 nan 8.300 nan 0.000 0.472 637 A N -0.800 122.046 122.820 0.043 0.000 1.972 637 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 637 A C 2.141 179.694 177.584 -0.051 0.000 1.169 637 A CA 1.545 53.576 52.037 -0.011 0.000 0.635 637 A CB -1.641 17.520 19.000 0.268 0.000 0.810 637 A HN 0.686 nan 8.150 nan 0.000 0.446 638 Y N 0.758 121.015 120.300 -0.071 0.000 2.089 638 Y HA -0.218 4.332 4.550 0.000 0.000 0.282 638 Y C 2.342 178.073 175.900 -0.281 0.000 1.139 638 Y CA 2.255 60.186 58.100 -0.280 0.000 1.123 638 Y CB -0.218 38.155 38.460 -0.145 0.000 0.980 638 Y HN 0.441 nan 8.280 nan 0.000 0.493 639 E N -0.184 119.874 120.200 -0.236 0.000 2.118 639 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 639 E C 2.029 178.372 176.600 -0.428 0.000 0.992 639 E CA 1.271 57.475 56.400 -0.327 0.000 0.804 639 E CB -0.185 29.405 29.700 -0.184 0.000 0.741 639 E HN 0.277 nan 8.360 nan 0.000 0.458 640 R N 0.573 120.742 120.500 -0.551 0.000 2.310 640 R HA 0.062 4.402 4.340 -0.000 0.000 0.202 640 R C -0.192 175.908 176.300 -0.333 0.000 0.933 640 R CA 0.071 55.865 56.100 -0.511 0.000 1.054 640 R CB 0.112 29.943 30.300 -0.781 0.000 0.985 640 R HN -0.114 nan 8.270 nan 0.000 0.489 641 R N 0.172 120.451 120.500 -0.368 0.000 3.333 641 R HA -0.221 4.119 4.340 -0.000 0.000 0.256 641 R C -1.125 175.041 176.300 -0.225 0.000 1.010 641 R CA 0.837 56.741 56.100 -0.326 0.000 0.680 641 R CB -2.269 27.867 30.300 -0.273 0.000 1.102 641 R HN 0.342 nan 8.270 nan 0.000 0.440 642 H N -0.248 118.672 119.070 -0.251 0.000 2.724 642 H HA 0.212 4.768 4.556 -0.000 0.000 0.278 642 H C -1.740 173.507 175.328 -0.135 0.000 1.159 642 H CA -2.514 53.440 56.048 -0.157 0.000 1.254 642 H CB 1.238 30.933 29.762 -0.112 0.000 1.412 642 H HN -0.034 nan 8.280 nan 0.000 0.488 643 P HA -0.137 nan 4.420 nan 0.000 0.216 643 P C 1.548 178.737 177.300 -0.185 0.000 1.153 643 P CA 1.803 64.676 63.100 -0.379 0.000 0.858 643 P CB 0.141 31.411 31.700 -0.717 0.000 0.789 644 G N -0.425 108.355 108.800 -0.033 0.000 2.421 644 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 644 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 644 G C 1.502 176.501 174.900 0.165 0.000 1.171 644 G CA 0.573 45.735 45.100 0.103 0.000 0.775 644 G HN 0.215 nan 8.290 nan 0.000 0.543 645 L N -0.917 120.492 121.223 0.310 0.000 2.093 645 L HA 0.070 4.410 4.340 -0.000 0.000 0.208 645 L C 2.539 179.475 176.870 0.109 0.000 1.085 645 L CA 0.730 55.634 54.840 0.107 0.000 0.755 645 L CB -0.343 41.673 42.059 -0.072 0.000 0.904 645 L HN 0.231 nan 8.230 nan 0.000 0.435 646 F N 0.302 120.245 119.950 -0.013 0.000 2.113 646 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 646 F C 2.620 178.318 175.800 -0.169 0.000 1.103 646 F CA 1.613 59.563 58.000 -0.083 0.000 1.248 646 F CB -0.206 38.724 39.000 -0.116 0.000 0.999 646 F HN -0.088 nan 8.300 nan 0.000 0.475 647 S N -0.108 115.472 115.700 -0.201 0.000 2.368 647 S HA -0.255 4.215 4.470 -0.000 0.000 0.225 647 S C 1.993 176.520 174.600 -0.122 0.000 1.030 647 S CA 1.479 59.417 58.200 -0.436 0.000 0.999 647 S CB -0.505 62.423 63.200 -0.454 0.000 0.844 647 S HN 0.593 nan 8.310 nan 0.000 0.459 648 E N 1.213 121.396 120.200 -0.029 0.000 2.051 648 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 648 E C 2.130 178.724 176.600 -0.010 0.000 0.991 648 E CA 1.011 57.434 56.400 0.039 0.000 0.799 648 E CB -0.269 29.462 29.700 0.052 0.000 0.748 648 E HN 0.464 nan 8.360 nan 0.000 0.449 649 A N 1.051 123.823 122.820 -0.081 0.000 1.972 649 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 649 A C 2.115 179.574 177.584 -0.208 0.000 1.169 649 A CA 1.208 53.186 52.037 -0.099 0.000 0.635 649 A CB -0.569 18.366 19.000 -0.108 0.000 0.810 649 A HN 0.397 nan 8.150 nan 0.000 0.446 650 L N -0.122 120.856 121.223 -0.408 0.000 2.056 650 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 650 L C 2.230 178.769 176.870 -0.551 0.000 1.078 650 L CA 1.537 56.027 54.840 -0.584 0.000 0.749 650 L CB -0.581 41.080 42.059 -0.664 0.000 0.901 650 L HN 0.408 nan 8.230 nan 0.000 0.433 651 L N -0.591 120.529 121.223 -0.171 0.000 2.042 651 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 651 L C 2.652 179.556 176.870 0.057 0.000 1.076 651 L CA 1.292 56.156 54.840 0.039 0.000 0.749 651 L CB -1.077 41.102 42.059 0.201 0.000 0.893 651 L HN 0.379 nan 8.230 nan 0.000 0.432 652 A N -0.789 122.055 122.820 0.041 0.000 1.930 652 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 652 A C 2.188 179.801 177.584 0.049 0.000 1.175 652 A CA 1.318 53.403 52.037 0.080 0.000 0.627 652 A CB -0.817 18.260 19.000 0.129 0.000 0.815 652 A HN 0.470 nan 8.150 nan 0.000 0.443 653 Y N -0.666 119.553 120.300 -0.136 0.000 2.128 653 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 653 Y C 2.112 178.021 175.900 0.014 0.000 1.154 653 Y CA 1.811 59.836 58.100 -0.126 0.000 1.149 653 Y CB -0.554 37.738 38.460 -0.280 0.000 0.976 653 Y HN 0.495 nan 8.280 nan 0.000 0.505 654 W N 0.390 121.716 121.300 0.044 0.000 2.335 654 W HA -0.195 4.465 4.660 -0.000 0.000 0.311 654 W C 2.447 178.901 176.519 -0.108 0.000 1.213 654 W CA 0.577 57.892 57.345 -0.051 0.000 1.274 654 W CB -0.323 29.165 29.460 0.046 0.000 1.148 654 W HN -0.012 nan 8.180 nan 0.000 0.498 655 E N 0.525 120.839 120.200 0.190 0.000 2.038 655 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 655 E C 2.188 178.776 176.600 -0.021 0.000 1.000 655 E CA 1.852 58.298 56.400 0.076 0.000 0.803 655 E CB -1.059 28.687 29.700 0.077 0.000 0.750 655 E HN 0.266 nan 8.360 nan 0.000 0.448 656 V N -0.241 119.627 119.914 -0.078 0.000 3.504 656 V HA -0.023 4.097 4.120 -0.000 0.000 0.273 656 V C 0.866 176.866 176.094 -0.156 0.000 1.228 656 V CA 1.190 63.408 62.300 -0.136 0.000 1.189 656 V CB -0.561 31.154 31.823 -0.180 0.000 0.881 656 V HN 0.079 nan 8.190 nan 0.000 0.529 657 N N -0.054 118.561 118.700 -0.142 0.000 2.129 657 N HA 0.150 4.890 4.740 -0.000 0.000 0.222 657 N C 1.049 176.517 175.510 -0.069 0.000 1.303 657 N CA -0.190 52.779 53.050 -0.136 0.000 0.897 657 N CB 0.612 38.961 38.487 -0.229 0.000 1.093 657 N HN 0.526 nan 8.380 nan 0.000 0.501 658 R N 0.000 120.475 120.500 -0.041 0.000 2.786 658 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 658 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 658 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 658 R HN 0.000 nan 8.270 nan 0.000 0.535