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 2oga_1_C DATA FIRST_RESID 8 DATA SEQUENCE PRVPFLDLKA AYEELRAETD AAIARVLDSG RYLLGPELEG FEAEFAAYCE DATA SEQUENCE TDHAVGVNSG MDALQLALRG LGIGPGDEVI VPSHTYIASW LAVSATGATP DATA SEQUENCE VPVEPHEDHP TLDPLLVEKA ITPRTRALLP VHLYGHPADM DALRELADRH DATA SEQUENCE GLHIVEDAAQ AHGARYRGRR IGAGSSVAAF SFYPGKNLGC FGDGGAVVTG DATA SEQUENCE DPELAERLRM LRNYGSRQKY SHETKGTNSR LDEMQAAVLR IRLAHLDSWN DATA SEQUENCE GRRSALAAEY LSGLAGLPGI GLPVTAPDTD PVWHLFTVRT ERRDELRSHL DATA SEQUENCE DARGIDTLTH YPVPVHLSPA YAGEAPPEGS LPRAESFARQ VLSLPIGPHL DATA SEQUENCE ERPQALRVID AVREWAERV 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.299 177.300 -0.002 0.000 1.155 8 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 8 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 9 R N -0.266 120.235 120.500 0.002 0.000 2.747 9 R HA 0.599 4.939 4.340 0.001 0.000 0.278 9 R C -0.286 176.019 176.300 0.008 0.000 1.153 9 R CA -0.705 55.398 56.100 0.004 0.000 1.206 9 R CB 0.363 30.668 30.300 0.009 0.000 1.161 9 R HN 0.186 nan 8.270 nan 0.000 0.589 10 V N 3.457 123.379 119.914 0.015 0.000 2.328 10 V HA 0.218 4.338 4.120 0.001 0.000 0.278 10 V C -2.085 174.038 176.094 0.048 0.000 1.021 10 V CA -2.052 60.261 62.300 0.021 0.000 0.838 10 V CB 1.140 32.971 31.823 0.015 0.000 0.999 10 V HN 0.665 nan 8.190 nan 0.000 0.447 11 P HA 0.083 nan 4.420 nan 0.000 0.271 11 P C 0.466 177.827 177.300 0.101 0.000 1.216 11 P CA -0.111 63.034 63.100 0.076 0.000 0.776 11 P CB 0.721 32.448 31.700 0.044 0.000 0.881 12 F N 3.392 123.357 119.950 0.026 0.000 2.259 12 F HA 0.147 4.675 4.527 0.001 0.000 0.298 12 F C 0.586 176.412 175.800 0.044 0.000 1.088 12 F CA 1.036 59.059 58.000 0.038 0.000 1.358 12 F CB 0.251 39.279 39.000 0.048 0.000 1.040 12 F HN 0.197 nan 8.300 nan 0.000 0.505 13 L N 0.708 121.964 121.223 0.056 0.000 3.688 13 L HA 0.185 4.526 4.340 0.001 0.000 0.258 13 L C -1.650 175.257 176.870 0.061 0.000 0.993 13 L CA -0.493 54.352 54.840 0.007 0.000 1.283 13 L CB 0.211 42.296 42.059 0.045 0.000 1.960 13 L HN -0.205 nan 8.230 nan 0.000 0.652 14 D N 4.707 125.121 120.400 0.023 0.000 2.359 14 D HA 0.236 4.876 4.640 0.001 0.000 0.250 14 D C 1.132 177.426 176.300 -0.009 0.000 1.264 14 D CA 0.072 54.078 54.000 0.010 0.000 0.911 14 D CB 0.821 41.610 40.800 -0.018 0.000 1.056 14 D HN 0.649 nan 8.370 nan 0.000 0.499 15 L N 3.382 124.620 121.223 0.025 0.000 2.072 15 L HA -0.146 4.194 4.340 0.001 0.000 0.205 15 L C 2.297 179.197 176.870 0.051 0.000 1.079 15 L CA 0.745 55.607 54.840 0.037 0.000 0.752 15 L CB -0.406 41.686 42.059 0.055 0.000 0.906 15 L HN 0.299 nan 8.230 nan 0.000 0.436 16 K N 1.263 121.695 120.400 0.053 0.000 2.074 16 K HA -0.196 4.124 4.320 0.001 0.000 0.209 16 K C 2.016 178.623 176.600 0.011 0.000 1.048 16 K CA 1.787 58.128 56.287 0.091 0.000 0.926 16 K CB -0.460 32.075 32.500 0.059 0.000 0.713 16 K HN 0.212 nan 8.250 nan 0.000 0.444 17 A N 0.780 123.514 122.820 -0.145 0.000 1.873 17 A HA -0.168 4.152 4.320 0.001 0.000 0.218 17 A C 2.478 179.673 177.584 -0.648 0.000 1.193 17 A CA 2.650 54.461 52.037 -0.376 0.000 0.629 17 A CB -1.426 17.325 19.000 -0.415 0.000 0.826 17 A HN 0.525 nan 8.150 nan 0.000 0.447 18 A N -1.691 120.711 122.820 -0.697 0.000 1.940 18 A HA -0.140 4.180 4.320 0.001 0.000 0.219 18 A C 2.153 179.815 177.584 0.130 0.000 1.176 18 A CA 1.930 53.746 52.037 -0.369 0.000 0.631 18 A CB -0.747 18.280 19.000 0.046 0.000 0.814 18 A HN 0.887 nan 8.150 nan 0.000 0.446 19 Y N 0.551 120.880 120.300 0.049 0.000 2.184 19 Y HA -0.066 4.485 4.550 0.001 0.000 0.290 19 Y C 2.158 178.091 175.900 0.055 0.000 1.129 19 Y CA 1.928 60.130 58.100 0.170 0.000 1.144 19 Y CB -0.683 37.894 38.460 0.196 0.000 0.995 19 Y HN 0.381 nan 8.280 nan 0.000 0.513 20 E N 0.805 120.849 120.200 -0.260 0.000 2.097 20 E HA -0.274 4.077 4.350 0.001 0.000 0.196 20 E C 2.204 178.665 176.600 -0.231 0.000 1.000 20 E CA 1.831 58.009 56.400 -0.371 0.000 0.804 20 E CB -0.380 29.189 29.700 -0.218 0.000 0.740 20 E HN 0.681 nan 8.360 nan 0.000 0.454 21 E N -0.555 119.575 120.200 -0.117 0.000 2.118 21 E HA -0.153 4.198 4.350 0.001 0.000 0.195 21 E C 0.767 177.376 176.600 0.014 0.000 0.992 21 E CA 1.310 57.721 56.400 0.019 0.000 0.804 21 E CB 0.035 29.871 29.700 0.226 0.000 0.741 21 E HN 0.361 nan 8.360 nan 0.000 0.458 22 L N 0.066 121.285 121.223 -0.006 0.000 3.202 22 L HA 0.357 4.697 4.340 0.001 0.000 0.278 22 L C 1.520 178.362 176.870 -0.046 0.000 1.268 22 L CA -0.462 54.364 54.840 -0.025 0.000 1.034 22 L CB 0.269 42.297 42.059 -0.050 0.000 1.407 22 L HN -0.029 nan 8.230 nan 0.000 0.581 23 R N 2.030 122.397 120.500 -0.220 0.000 2.206 23 R HA -0.318 4.023 4.340 0.001 0.000 0.240 23 R C 2.282 178.542 176.300 -0.066 0.000 1.117 23 R CA 2.755 58.627 56.100 -0.379 0.000 0.915 23 R CB -0.319 29.702 30.300 -0.466 0.000 0.888 23 R HN 0.440 nan 8.270 nan 0.000 0.432 24 A N 1.098 123.889 122.820 -0.050 0.000 1.873 24 A HA -0.267 4.054 4.320 0.001 0.000 0.218 24 A C 2.029 179.637 177.584 0.039 0.000 1.193 24 A CA 2.157 54.196 52.037 0.004 0.000 0.629 24 A CB -0.877 18.121 19.000 -0.003 0.000 0.826 24 A HN 0.788 nan 8.150 nan 0.000 0.447 25 E N -1.105 119.119 120.200 0.041 0.000 2.204 25 E HA -0.122 4.228 4.350 0.001 0.000 0.194 25 E C 1.789 178.436 176.600 0.077 0.000 0.989 25 E CA 1.417 57.849 56.400 0.053 0.000 0.824 25 E CB -0.718 29.013 29.700 0.053 0.000 0.756 25 E HN 0.504 nan 8.360 nan 0.000 0.477 26 T N 1.716 116.342 114.554 0.121 0.000 2.701 26 T HA -0.122 4.228 4.350 0.001 0.000 0.263 26 T C 1.321 176.115 174.700 0.156 0.000 1.040 26 T CA 1.531 63.746 62.100 0.191 0.000 1.147 26 T CB -0.322 68.773 68.868 0.378 0.000 0.865 26 T HN 0.155 nan 8.240 nan 0.000 0.426 27 D N 1.476 121.976 120.400 0.166 0.000 2.149 27 D HA -0.057 4.583 4.640 0.001 0.000 0.198 27 D C 2.284 178.621 176.300 0.061 0.000 0.990 27 D CA 1.263 55.324 54.000 0.102 0.000 0.839 27 D CB -0.463 40.397 40.800 0.100 0.000 0.948 27 D HN 0.409 nan 8.370 nan 0.000 0.460 28 A N 0.982 123.838 122.820 0.059 0.000 1.898 28 A HA -0.004 4.317 4.320 0.001 0.000 0.216 28 A C 2.331 179.940 177.584 0.042 0.000 1.181 28 A CA 2.125 54.188 52.037 0.043 0.000 0.620 28 A CB -0.690 18.333 19.000 0.038 0.000 0.819 28 A HN 0.237 nan 8.150 nan 0.000 0.442 29 A N 0.174 123.024 122.820 0.050 0.000 1.877 29 A HA -0.102 4.218 4.320 0.001 0.000 0.216 29 A C 2.122 179.732 177.584 0.043 0.000 1.186 29 A CA 1.552 53.614 52.037 0.042 0.000 0.620 29 A CB -0.669 18.355 19.000 0.040 0.000 0.822 29 A HN 0.498 nan 8.150 nan 0.000 0.443 30 I N -0.124 120.474 120.570 0.047 0.000 2.163 30 I HA -0.325 3.846 4.170 0.001 0.000 0.243 30 I C 2.982 179.122 176.117 0.039 0.000 1.085 30 I CA 1.196 62.519 61.300 0.037 0.000 1.347 30 I CB -0.479 37.526 38.000 0.009 0.000 1.044 30 I HN 0.367 nan 8.210 nan 0.000 0.408 31 A N 0.791 123.631 122.820 0.033 0.000 1.978 31 A HA -0.275 4.046 4.320 0.001 0.000 0.220 31 A C 2.439 180.049 177.584 0.043 0.000 1.170 31 A CA 2.024 54.081 52.037 0.033 0.000 0.636 31 A CB -0.732 18.285 19.000 0.027 0.000 0.810 31 A HN 0.423 nan 8.150 nan 0.000 0.448 32 R N -0.401 120.123 120.500 0.040 0.000 2.073 32 R HA -0.089 4.252 4.340 0.001 0.000 0.234 32 R C 1.901 178.230 176.300 0.048 0.000 1.134 32 R CA 1.815 57.936 56.100 0.036 0.000 0.952 32 R CB -0.459 29.857 30.300 0.027 0.000 0.850 32 R HN 0.282 nan 8.270 nan 0.000 0.433 33 V N 1.680 121.635 119.914 0.068 0.000 2.295 33 V HA -0.274 3.846 4.120 0.001 0.000 0.246 33 V C 2.500 178.726 176.094 0.219 0.000 1.049 33 V CA 1.847 64.213 62.300 0.111 0.000 1.024 33 V CB -0.529 31.375 31.823 0.134 0.000 0.648 33 V HN 0.356 nan 8.190 nan 0.000 0.447 34 L N -0.140 121.206 121.223 0.206 0.000 2.021 34 L HA -0.277 4.064 4.340 0.001 0.000 0.215 34 L C 2.439 179.447 176.870 0.230 0.000 1.074 34 L CA 2.013 56.998 54.840 0.243 0.000 0.760 34 L CB -0.797 41.318 42.059 0.094 0.000 0.889 34 L HN 0.391 nan 8.230 nan 0.000 0.433 35 D N -0.724 119.745 120.400 0.116 0.000 2.219 35 D HA -0.128 4.512 4.640 0.001 0.000 0.205 35 D C 2.343 178.659 176.300 0.027 0.000 0.970 35 D CA 1.505 55.545 54.000 0.067 0.000 0.851 35 D CB 0.083 40.906 40.800 0.038 0.000 0.943 35 D HN 0.376 nan 8.370 nan 0.000 0.488 36 S N -0.166 115.529 115.700 -0.009 0.000 2.383 36 S HA -0.076 4.394 4.470 0.001 0.000 0.229 36 S C 1.941 176.418 174.600 -0.204 0.000 1.030 36 S CA 1.777 59.917 58.200 -0.100 0.000 1.002 36 S CB -0.369 62.757 63.200 -0.124 0.000 0.829 36 S HN 0.325 nan 8.310 nan 0.000 0.467 37 G N 0.561 109.155 108.800 -0.344 0.000 2.162 37 G HA2 -0.275 3.685 3.960 0.001 0.000 0.260 37 G HA3 -0.275 3.685 3.960 0.001 0.000 0.260 37 G C 0.087 174.514 174.900 -0.789 0.000 0.976 37 G CA 0.357 45.193 45.100 -0.439 0.000 0.655 37 G HN 0.802 nan 8.290 nan 0.000 0.533 38 R N -0.230 119.712 120.500 -0.930 0.000 2.388 38 R HA 0.675 5.015 4.340 0.001 0.000 0.314 38 R C 0.272 176.181 176.300 -0.652 0.000 0.959 38 R CA -1.298 54.443 56.100 -0.599 0.000 0.851 38 R CB 0.129 30.261 30.300 -0.280 0.000 1.168 38 R HN 0.258 nan 8.270 nan 0.000 0.472 39 Y N 3.022 123.331 120.300 0.014 0.000 2.442 39 Y HA 0.390 4.941 4.550 0.001 0.000 0.250 39 Y C 0.208 176.120 175.900 0.020 0.000 1.113 39 Y CA -0.245 57.864 58.100 0.015 0.000 1.273 39 Y CB 0.903 39.372 38.460 0.014 0.000 1.138 39 Y HN 0.149 nan 8.280 nan 0.000 0.522 40 L N 0.178 121.464 121.223 0.105 0.000 2.409 40 L HA 0.379 4.720 4.340 0.001 0.000 0.262 40 L C -0.540 176.360 176.870 0.050 0.000 0.992 40 L CA -1.174 53.718 54.840 0.086 0.000 0.817 40 L CB 2.488 44.607 42.059 0.099 0.000 1.350 40 L HN 0.014 nan 8.230 nan 0.000 0.411 41 L N 1.576 122.831 121.223 0.054 0.000 3.854 41 L HA -0.261 4.079 4.340 0.001 0.000 0.460 41 L C 0.501 177.385 176.870 0.023 0.000 1.228 41 L CA 0.466 55.332 54.840 0.044 0.000 0.760 41 L CB -2.010 40.075 42.059 0.043 0.000 1.597 41 L HN 0.859 nan 8.230 nan 0.000 0.852 42 G N -0.228 108.584 108.800 0.020 0.000 2.971 42 G HA2 0.668 4.629 3.960 0.001 0.000 0.235 42 G HA3 0.668 4.629 3.960 0.001 0.000 0.235 42 G C -1.918 172.990 174.900 0.014 0.000 1.351 42 G CA -0.148 44.952 45.100 -0.000 0.000 1.039 42 G HN 0.103 nan 8.290 nan 0.000 0.563 43 P HA 0.067 nan 4.420 nan 0.000 0.229 43 P C 1.166 178.485 177.300 0.032 0.000 1.160 43 P CA 0.719 63.829 63.100 0.016 0.000 0.777 43 P CB 0.414 32.117 31.700 0.004 0.000 0.814 44 E N -0.014 120.204 120.200 0.030 0.000 2.072 44 E HA -0.110 4.241 4.350 0.001 0.000 0.190 44 E C 1.980 178.629 176.600 0.082 0.000 0.982 44 E CA 0.661 57.086 56.400 0.042 0.000 0.803 44 E CB -1.028 28.683 29.700 0.019 0.000 0.755 44 E HN 0.183 nan 8.360 nan 0.000 0.453 45 L N 1.984 123.254 121.223 0.078 0.000 2.012 45 L HA -0.183 4.158 4.340 0.001 0.000 0.210 45 L C 2.029 178.984 176.870 0.141 0.000 1.073 45 L CA 1.880 56.793 54.840 0.122 0.000 0.748 45 L CB -0.471 41.646 42.059 0.098 0.000 0.891 45 L HN 0.039 nan 8.230 nan 0.000 0.431 46 E N -0.609 119.646 120.200 0.091 0.000 2.038 46 E HA -0.211 4.139 4.350 0.001 0.000 0.195 46 E C 2.057 178.697 176.600 0.066 0.000 1.000 46 E CA 1.169 57.612 56.400 0.072 0.000 0.803 46 E CB -0.648 29.080 29.700 0.047 0.000 0.750 46 E HN 0.691 nan 8.360 nan 0.000 0.448 47 G N 0.834 109.675 108.800 0.069 0.000 2.446 47 G HA2 -0.292 3.669 3.960 0.001 0.000 0.217 47 G HA3 -0.292 3.669 3.960 0.001 0.000 0.217 47 G C 1.379 176.324 174.900 0.076 0.000 1.168 47 G CA 0.691 45.827 45.100 0.059 0.000 0.771 47 G HN 0.226 nan 8.290 nan 0.000 0.551 48 F N 1.489 121.427 119.950 -0.021 0.000 2.113 48 F HA 0.039 4.566 4.527 0.001 0.000 0.297 48 F C 2.612 178.428 175.800 0.026 0.000 1.103 48 F CA 1.868 59.841 58.000 -0.045 0.000 1.248 48 F CB -0.310 38.617 39.000 -0.122 0.000 0.999 48 F HN 0.255 nan 8.300 nan 0.000 0.475 49 E N 0.182 120.364 120.200 -0.030 0.000 2.097 49 E HA -0.255 4.096 4.350 0.001 0.000 0.196 49 E C 2.372 178.913 176.600 -0.099 0.000 1.000 49 E CA 1.261 57.626 56.400 -0.058 0.000 0.804 49 E CB -0.454 29.297 29.700 0.085 0.000 0.740 49 E HN 0.507 nan 8.360 nan 0.000 0.454 50 A N 1.214 123.997 122.820 -0.062 0.000 1.865 50 A HA -0.282 4.038 4.320 0.001 0.000 0.217 50 A C 1.952 179.477 177.584 -0.097 0.000 1.191 50 A CA 1.895 53.895 52.037 -0.060 0.000 0.623 50 A CB -0.555 18.428 19.000 -0.028 0.000 0.826 50 A HN 0.191 nan 8.150 nan 0.000 0.444 51 E N -1.521 118.605 120.200 -0.123 0.000 2.077 51 E HA -0.154 4.196 4.350 0.001 0.000 0.193 51 E C 1.775 178.300 176.600 -0.125 0.000 0.989 51 E CA 1.268 57.602 56.400 -0.110 0.000 0.800 51 E CB -0.279 29.368 29.700 -0.088 0.000 0.746 51 E HN 0.618 nan 8.360 nan 0.000 0.452 52 F N 1.366 120.996 119.950 -0.534 0.000 2.134 52 F HA -0.138 4.389 4.527 0.001 0.000 0.299 52 F C 2.161 177.838 175.800 -0.204 0.000 1.097 52 F CA 1.251 58.940 58.000 -0.518 0.000 1.264 52 F CB -0.592 37.837 39.000 -0.952 0.000 1.001 52 F HN -0.034 nan 8.300 nan 0.000 0.479 53 A N 0.185 122.876 122.820 -0.215 0.000 1.877 53 A HA -0.052 4.268 4.320 0.001 0.000 0.216 53 A C 2.452 179.923 177.584 -0.187 0.000 1.186 53 A CA 1.943 53.853 52.037 -0.211 0.000 0.620 53 A CB -1.557 17.372 19.000 -0.118 0.000 0.822 53 A HN 0.440 nan 8.150 nan 0.000 0.443 54 A N -1.647 121.097 122.820 -0.126 0.000 1.933 54 A HA -0.132 4.188 4.320 0.001 0.000 0.218 54 A C 2.132 179.663 177.584 -0.089 0.000 1.175 54 A CA 1.674 53.654 52.037 -0.094 0.000 0.628 54 A CB -0.834 18.132 19.000 -0.057 0.000 0.814 54 A HN 0.744 nan 8.150 nan 0.000 0.444 55 Y N 0.021 120.192 120.300 -0.215 0.000 2.165 55 Y HA -0.265 4.285 4.550 0.001 0.000 0.286 55 Y C 2.162 177.911 175.900 -0.251 0.000 1.155 55 Y CA 1.876 59.854 58.100 -0.204 0.000 1.164 55 Y CB -0.453 37.913 38.460 -0.156 0.000 0.978 55 Y HN 0.335 nan 8.280 nan 0.000 0.513 56 C N 1.450 120.556 119.300 -0.324 0.000 2.573 56 C HA 0.083 4.544 4.460 0.001 0.000 0.273 56 C C 0.518 175.376 174.990 -0.221 0.000 1.346 56 C CA 0.534 59.351 59.018 -0.336 0.000 1.702 56 C CB -2.078 25.416 27.740 -0.409 0.000 1.751 56 C HN 0.608 nan 8.230 nan 0.000 0.583 57 E N 0.468 120.547 120.200 -0.202 0.000 2.320 57 E HA -0.199 4.152 4.350 0.001 0.000 0.234 57 E C 0.177 176.710 176.600 -0.112 0.000 1.183 57 E CA 0.740 57.055 56.400 -0.142 0.000 0.713 57 E CB -1.213 28.411 29.700 -0.126 0.000 1.226 57 E HN 0.659 nan 8.360 nan 0.000 0.382 58 T N -2.061 112.418 114.554 -0.126 0.000 2.812 58 T HA 0.244 4.594 4.350 0.001 0.000 0.294 58 T C 0.081 174.689 174.700 -0.153 0.000 1.159 58 T CA -0.482 61.553 62.100 -0.108 0.000 1.008 58 T CB 1.586 70.416 68.868 -0.065 0.000 1.289 58 T HN 0.008 nan 8.240 nan 0.000 0.514 59 D N -0.093 120.183 120.400 -0.207 0.000 2.201 59 D HA 0.075 4.716 4.640 0.001 0.000 0.209 59 D C 0.202 176.143 176.300 -0.598 0.000 0.961 59 D CA 1.044 54.772 54.000 -0.453 0.000 0.861 59 D CB 0.145 40.551 40.800 -0.657 0.000 0.997 59 D HN 0.518 nan 8.370 nan 0.000 0.486 60 H N -0.625 118.443 119.070 -0.004 0.000 2.717 60 H HA 0.663 5.220 4.556 0.001 0.000 0.366 60 H C -0.837 174.512 175.328 0.036 0.000 1.132 60 H CA -0.798 55.259 56.048 0.015 0.000 1.180 60 H CB 2.313 32.091 29.762 0.027 0.000 1.678 60 H HN -0.089 nan 8.280 nan 0.000 0.537 61 A N 2.316 125.245 122.820 0.183 0.000 2.353 61 A HA 0.517 4.838 4.320 0.001 0.000 0.299 61 A C -0.834 176.873 177.584 0.206 0.000 1.089 61 A CA -0.640 51.515 52.037 0.197 0.000 0.736 61 A CB 1.064 20.167 19.000 0.172 0.000 1.195 61 A HN 0.366 nan 8.150 nan 0.000 0.447 62 V N 2.797 122.845 119.914 0.224 0.000 2.304 62 V HA 0.515 4.635 4.120 0.001 0.000 0.278 62 V C 0.967 177.198 176.094 0.229 0.000 1.018 62 V CA -0.298 62.115 62.300 0.188 0.000 0.814 62 V CB 1.130 33.032 31.823 0.133 0.000 1.021 62 V HN 1.113 nan 8.190 nan 0.000 0.440 63 G N 3.755 112.704 108.800 0.249 0.000 2.365 63 G HA2 0.486 4.447 3.960 0.001 0.000 0.249 63 G HA3 0.486 4.447 3.960 0.001 0.000 0.249 63 G C -0.108 174.909 174.900 0.195 0.000 1.288 63 G CA 0.341 45.611 45.100 0.284 0.000 0.887 63 G HN 0.962 nan 8.290 nan 0.000 0.524 64 V N 0.484 120.512 119.914 0.190 0.000 3.119 64 V HA 0.579 4.699 4.120 0.001 0.000 0.311 64 V C 1.129 177.294 176.094 0.118 0.000 1.259 64 V CA -0.778 61.595 62.300 0.122 0.000 1.067 64 V CB 1.637 33.513 31.823 0.089 0.000 1.123 64 V HN 0.515 nan 8.190 nan 0.000 0.463 65 N N 0.456 119.204 118.700 0.081 0.000 2.354 65 N HA 0.086 4.827 4.740 0.001 0.000 0.179 65 N C 0.403 175.961 175.510 0.080 0.000 1.021 65 N CA 1.112 54.209 53.050 0.078 0.000 0.887 65 N CB 0.118 38.639 38.487 0.056 0.000 0.974 65 N HN 1.181 nan 8.380 nan 0.000 0.437 66 S N -3.856 111.879 115.700 0.059 0.000 2.611 66 S HA 0.512 4.982 4.470 0.001 0.000 0.268 66 S C 0.948 175.550 174.600 0.004 0.000 1.156 66 S CA -0.457 57.769 58.200 0.043 0.000 0.817 66 S CB 0.807 64.037 63.200 0.049 0.000 1.122 66 S HN 0.029 nan 8.310 nan 0.000 0.466 67 G N 0.908 109.697 108.800 -0.019 0.000 2.418 67 G HA2 -0.170 3.791 3.960 0.001 0.000 0.217 67 G HA3 -0.170 3.791 3.960 0.001 0.000 0.217 67 G C 1.216 176.105 174.900 -0.018 0.000 1.158 67 G CA 1.174 46.246 45.100 -0.046 0.000 0.771 67 G HN 0.826 nan 8.290 nan 0.000 0.545 68 M N 0.726 120.331 119.600 0.009 0.000 2.065 68 M HA -0.074 4.407 4.480 0.001 0.000 0.259 68 M C 1.928 178.234 176.300 0.010 0.000 1.069 68 M CA 2.237 57.548 55.300 0.020 0.000 1.110 68 M CB -0.184 32.438 32.600 0.036 0.000 1.328 68 M HN 0.052 nan 8.290 nan 0.000 0.405 69 D N 0.587 120.995 120.400 0.013 0.000 2.144 69 D HA -0.093 4.547 4.640 0.001 0.000 0.199 69 D C 2.069 178.376 176.300 0.010 0.000 0.984 69 D CA 1.637 55.644 54.000 0.011 0.000 0.834 69 D CB -0.481 40.328 40.800 0.015 0.000 0.955 69 D HN 0.558 nan 8.370 nan 0.000 0.465 70 A N 0.748 123.576 122.820 0.014 0.000 1.917 70 A HA -0.184 4.137 4.320 0.001 0.000 0.219 70 A C 2.373 179.959 177.584 0.002 0.000 1.182 70 A CA 1.122 53.171 52.037 0.021 0.000 0.633 70 A CB -0.852 18.161 19.000 0.021 0.000 0.819 70 A HN 0.229 nan 8.150 nan 0.000 0.448 71 L N -1.125 120.089 121.223 -0.015 0.000 2.027 71 L HA -0.237 4.103 4.340 0.001 0.000 0.206 71 L C 2.974 179.832 176.870 -0.021 0.000 1.074 71 L CA 1.910 56.733 54.840 -0.028 0.000 0.745 71 L CB -0.469 41.572 42.059 -0.029 0.000 0.898 71 L HN 0.623 nan 8.230 nan 0.000 0.433 72 Q N 0.303 120.096 119.800 -0.010 0.000 2.079 72 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 72 Q C 2.327 178.319 176.000 -0.014 0.000 0.974 72 Q CA 1.456 57.253 55.803 -0.009 0.000 0.840 72 Q CB -0.023 28.714 28.738 -0.002 0.000 0.898 72 Q HN 0.518 nan 8.270 nan 0.000 0.430 73 L N 0.185 121.403 121.223 -0.009 0.000 2.093 73 L HA -0.099 4.241 4.340 0.001 0.000 0.208 73 L C 2.603 179.462 176.870 -0.019 0.000 1.085 73 L CA 0.829 55.663 54.840 -0.011 0.000 0.755 73 L CB -0.642 41.416 42.059 -0.001 0.000 0.904 73 L HN 0.251 nan 8.230 nan 0.000 0.435 74 A N 0.488 123.296 122.820 -0.020 0.000 1.902 74 A HA -0.135 4.185 4.320 0.001 0.000 0.217 74 A C 2.275 179.821 177.584 -0.064 0.000 1.181 74 A CA 1.344 53.359 52.037 -0.037 0.000 0.623 74 A CB -0.603 18.379 19.000 -0.030 0.000 0.818 74 A HN 0.332 nan 8.150 nan 0.000 0.443 75 L N -1.262 119.929 121.223 -0.053 0.000 1.994 75 L HA -0.168 4.173 4.340 0.001 0.000 0.208 75 L C 2.793 179.631 176.870 -0.053 0.000 1.071 75 L CA 1.807 56.613 54.840 -0.057 0.000 0.745 75 L CB -0.518 41.518 42.059 -0.038 0.000 0.892 75 L HN 0.386 nan 8.230 nan 0.000 0.431 76 R N 0.185 120.663 120.500 -0.036 0.000 2.083 76 R HA -0.169 4.172 4.340 0.001 0.000 0.237 76 R C 2.271 178.549 176.300 -0.036 0.000 1.137 76 R CA 1.627 57.710 56.100 -0.027 0.000 0.951 76 R CB -0.641 29.648 30.300 -0.018 0.000 0.851 76 R HN 0.446 nan 8.270 nan 0.000 0.434 77 G N 0.523 109.296 108.800 -0.045 0.000 2.450 77 G HA2 -0.217 3.744 3.960 0.001 0.000 0.220 77 G HA3 -0.217 3.744 3.960 0.001 0.000 0.220 77 G C 1.275 176.123 174.900 -0.086 0.000 1.130 77 G CA 0.524 45.592 45.100 -0.054 0.000 0.760 77 G HN 0.273 nan 8.290 nan 0.000 0.557 78 L N 0.185 121.330 121.223 -0.129 0.000 2.591 78 L HA 0.276 4.616 4.340 0.001 0.000 0.228 78 L C 1.974 178.783 176.870 -0.102 0.000 1.133 78 L CA 0.416 55.120 54.840 -0.227 0.000 0.880 78 L CB 0.122 41.918 42.059 -0.437 0.000 1.033 78 L HN 0.359 nan 8.230 nan 0.000 0.450 79 G N 0.660 109.432 108.800 -0.046 0.000 2.141 79 G HA2 -0.279 3.682 3.960 0.001 0.000 0.242 79 G HA3 -0.279 3.682 3.960 0.001 0.000 0.242 79 G C 0.149 175.054 174.900 0.008 0.000 0.982 79 G CA -0.271 44.826 45.100 -0.005 0.000 0.662 79 G HN 0.235 nan 8.290 nan 0.000 0.527 80 I N 0.968 121.536 120.570 -0.004 0.000 2.575 80 I HA 0.566 4.736 4.170 0.001 0.000 0.285 80 I C 1.219 177.334 176.117 -0.002 0.000 1.085 80 I CA 1.584 62.886 61.300 0.003 0.000 1.403 80 I CB 1.306 39.304 38.000 -0.003 0.000 1.409 80 I HN 0.410 nan 8.210 nan 0.000 0.557 81 G N 5.422 114.222 108.800 -0.000 0.000 2.510 81 G HA2 0.374 4.335 3.960 0.001 0.000 0.277 81 G HA3 0.374 4.335 3.960 0.001 0.000 0.277 81 G C -3.126 171.772 174.900 -0.002 0.000 1.223 81 G CA -0.680 44.420 45.100 -0.001 0.000 0.887 81 G HN 0.267 nan 8.290 nan 0.000 0.485 82 P HA 0.322 nan 4.420 nan 0.000 0.265 82 P C 0.907 178.205 177.300 -0.003 0.000 1.193 82 P CA 1.848 64.947 63.100 -0.001 0.000 0.765 82 P CB 0.905 32.606 31.700 0.002 0.000 0.823 83 G N 1.630 110.426 108.800 -0.007 0.000 2.199 83 G HA2 -0.173 3.788 3.960 0.001 0.000 0.254 83 G HA3 -0.173 3.788 3.960 0.001 0.000 0.254 83 G C -0.183 174.707 174.900 -0.016 0.000 0.982 83 G CA -0.208 44.886 45.100 -0.010 0.000 0.632 83 G HN 0.527 nan 8.290 nan 0.000 0.529 84 D N 0.800 121.190 120.400 -0.017 0.000 2.217 84 D HA 0.571 5.211 4.640 0.001 0.000 0.248 84 D C 0.213 176.489 176.300 -0.039 0.000 1.008 84 D CA -0.134 53.852 54.000 -0.023 0.000 0.914 84 D CB 1.308 42.101 40.800 -0.012 0.000 1.182 84 D HN 0.468 nan 8.370 nan 0.000 0.451 85 E N 0.158 120.327 120.200 -0.053 0.000 2.199 85 E HA 0.530 4.880 4.350 0.001 0.000 0.269 85 E C -1.026 175.521 176.600 -0.089 0.000 0.899 85 E CA -0.899 55.453 56.400 -0.081 0.000 0.772 85 E CB 2.449 32.095 29.700 -0.091 0.000 1.155 85 E HN 0.028 nan 8.360 nan 0.000 0.408 86 V N 4.154 123.994 119.914 -0.124 0.000 2.483 86 V HA 0.315 4.436 4.120 0.001 0.000 0.297 86 V C -0.239 175.736 176.094 -0.199 0.000 1.027 86 V CA -0.661 61.559 62.300 -0.133 0.000 0.855 86 V CB 1.478 33.227 31.823 -0.123 0.000 0.995 86 V HN 0.654 nan 8.190 nan 0.000 0.424 87 I N 5.845 126.309 120.570 -0.176 0.000 2.452 87 I HA 0.307 4.477 4.170 0.001 0.000 0.287 87 I C 0.188 176.163 176.117 -0.236 0.000 1.079 87 I CA 0.172 61.347 61.300 -0.209 0.000 1.387 87 I CB 1.198 39.106 38.000 -0.154 0.000 1.404 87 I HN 0.589 nan 8.210 nan 0.000 0.522 88 V N 5.359 125.069 119.914 -0.340 0.000 3.019 88 V HA 0.727 4.848 4.120 0.001 0.000 0.317 88 V C -2.740 173.210 176.094 -0.239 0.000 1.094 88 V CA -2.570 59.519 62.300 -0.351 0.000 1.000 88 V CB 1.494 32.922 31.823 -0.658 0.000 1.060 88 V HN 0.433 nan 8.190 nan 0.000 0.443 89 P HA 0.307 nan 4.420 nan 0.000 0.284 89 P C 0.648 178.041 177.300 0.155 0.000 1.253 89 P CA -0.116 62.984 63.100 -0.001 0.000 0.800 89 P CB 1.536 33.228 31.700 -0.012 0.000 0.961 90 S N 1.386 117.182 115.700 0.161 0.000 2.406 90 S HA -0.137 4.334 4.470 0.001 0.000 0.228 90 S C 0.736 175.510 174.600 0.290 0.000 1.020 90 S CA 0.841 59.208 58.200 0.278 0.000 0.965 90 S CB -0.986 62.304 63.200 0.150 0.000 0.798 90 S HN 0.623 nan 8.310 nan 0.000 0.488 91 H N 0.959 120.090 119.070 0.102 0.000 2.685 91 H HA 0.657 5.213 4.556 0.001 0.000 0.286 91 H C -0.272 175.030 175.328 -0.043 0.000 1.102 91 H CA 0.494 56.548 56.048 0.012 0.000 1.254 91 H CB 0.531 30.256 29.762 -0.062 0.000 1.397 91 H HN 0.278 nan 8.280 nan 0.000 0.473 92 T N 3.139 117.522 114.554 -0.284 0.000 2.663 92 T HA 0.109 4.460 4.350 0.001 0.000 0.305 92 T C -1.920 172.633 174.700 -0.244 0.000 1.660 92 T CA -0.774 61.177 62.100 -0.248 0.000 0.976 92 T CB -0.111 68.696 68.868 -0.100 0.000 1.705 92 T HN 0.367 nan 8.240 nan 0.000 0.494 93 Y N 2.242 122.327 120.300 -0.358 0.000 2.377 93 Y HA 0.442 4.992 4.550 0.001 0.000 0.330 93 Y C 1.608 177.272 175.900 -0.393 0.000 1.108 93 Y CA -0.505 57.198 58.100 -0.662 0.000 1.308 93 Y CB 0.401 38.583 38.460 -0.463 0.000 1.216 93 Y HN 0.694 nan 8.280 nan 0.000 0.518 94 I N 4.784 124.626 120.570 -1.214 0.000 2.290 94 I HA -0.391 3.779 4.170 0.001 0.000 0.253 94 I C 2.055 177.867 176.117 -0.508 0.000 1.112 94 I CA 2.056 62.850 61.300 -0.844 0.000 1.377 94 I CB -0.192 37.359 38.000 -0.748 0.000 1.060 94 I HN 0.902 nan 8.210 nan 0.000 0.428 95 A N -0.407 122.042 122.820 -0.618 0.000 2.032 95 A HA -0.244 4.076 4.320 0.001 0.000 0.221 95 A C 2.350 179.933 177.584 -0.002 0.000 1.165 95 A CA 2.188 54.147 52.037 -0.130 0.000 0.645 95 A CB -0.819 18.266 19.000 0.141 0.000 0.807 95 A HN 0.565 nan 8.150 nan 0.000 0.453 96 S N -1.087 114.621 115.700 0.013 0.000 2.370 96 S HA -0.196 4.274 4.470 0.001 0.000 0.226 96 S C 1.534 176.229 174.600 0.159 0.000 1.033 96 S CA 1.481 59.729 58.200 0.080 0.000 1.011 96 S CB -0.459 62.795 63.200 0.090 0.000 0.852 96 S HN 0.846 nan 8.310 nan 0.000 0.457 97 W N 1.784 122.994 121.300 -0.149 0.000 2.443 97 W HA 0.281 4.941 4.660 0.001 0.000 0.296 97 W C 2.009 178.550 176.519 0.037 0.000 1.202 97 W CA -0.409 56.852 57.345 -0.139 0.000 1.312 97 W CB -1.269 27.943 29.460 -0.413 0.000 1.120 97 W HN 0.191 nan 8.180 nan 0.000 0.536 98 L N 0.397 121.818 121.223 0.330 0.000 2.043 98 L HA -0.243 4.097 4.340 0.001 0.000 0.212 98 L C 2.546 179.486 176.870 0.116 0.000 1.075 98 L CA 1.626 56.594 54.840 0.213 0.000 0.752 98 L CB -1.506 40.601 42.059 0.081 0.000 0.891 98 L HN -0.019 nan 8.230 nan 0.000 0.432 99 A N -0.388 122.478 122.820 0.077 0.000 1.933 99 A HA -0.111 4.210 4.320 0.001 0.000 0.218 99 A C 2.365 179.966 177.584 0.028 0.000 1.175 99 A CA 1.609 53.667 52.037 0.035 0.000 0.628 99 A CB -0.667 18.341 19.000 0.013 0.000 0.814 99 A HN 0.196 nan 8.150 nan 0.000 0.444 100 V N -0.286 119.649 119.914 0.034 0.000 2.270 100 V HA -0.199 3.921 4.120 0.001 0.000 0.245 100 V C 2.794 178.912 176.094 0.040 0.000 1.043 100 V CA 2.307 64.611 62.300 0.006 0.000 1.014 100 V CB -0.808 30.986 31.823 -0.047 0.000 0.645 100 V HN 0.560 nan 8.190 nan 0.000 0.447 101 S N 0.469 116.235 115.700 0.110 0.000 2.370 101 S HA -0.225 4.245 4.470 0.001 0.000 0.226 101 S C 2.190 176.829 174.600 0.064 0.000 1.033 101 S CA 1.462 59.739 58.200 0.128 0.000 1.011 101 S CB -0.587 62.753 63.200 0.234 0.000 0.852 101 S HN 0.656 nan 8.310 nan 0.000 0.457 102 A N 1.383 124.233 122.820 0.052 0.000 1.978 102 A HA -0.138 4.182 4.320 0.001 0.000 0.220 102 A C 2.333 179.925 177.584 0.014 0.000 1.170 102 A CA 2.036 54.087 52.037 0.024 0.000 0.636 102 A CB -1.164 17.847 19.000 0.018 0.000 0.810 102 A HN 0.646 nan 8.150 nan 0.000 0.448 103 T N -4.609 109.952 114.554 0.012 0.000 3.113 103 T HA 0.372 4.722 4.350 0.001 0.000 0.256 103 T C 1.407 176.110 174.700 0.006 0.000 1.131 103 T CA 1.129 63.232 62.100 0.004 0.000 1.074 103 T CB -0.056 68.810 68.868 -0.003 0.000 0.944 103 T HN 1.725 nan 8.240 nan 0.000 0.516 104 G N 0.710 109.517 108.800 0.012 0.000 2.175 104 G HA2 -0.007 3.954 3.960 0.001 0.000 0.244 104 G HA3 -0.007 3.954 3.960 0.001 0.000 0.244 104 G C 0.265 175.170 174.900 0.008 0.000 0.982 104 G CA -0.094 45.013 45.100 0.011 0.000 0.641 104 G HN 1.160 nan 8.290 nan 0.000 0.527 105 A N -0.345 122.478 122.820 0.004 0.000 2.252 105 A HA 0.821 5.142 4.320 0.001 0.000 0.305 105 A C 0.482 178.058 177.584 -0.012 0.000 1.097 105 A CA 0.625 52.656 52.037 -0.009 0.000 0.849 105 A CB 0.747 19.735 19.000 -0.020 0.000 1.142 105 A HN 0.708 nan 8.150 nan 0.000 0.499 106 T N 3.296 117.827 114.554 -0.038 0.000 2.733 106 T HA 0.510 4.860 4.350 0.001 0.000 0.294 106 T C -2.669 171.946 174.700 -0.142 0.000 0.956 106 T CA -0.873 61.191 62.100 -0.060 0.000 0.987 106 T CB 0.888 69.722 68.868 -0.057 0.000 0.920 106 T HN 0.448 nan 8.240 nan 0.000 0.470 107 P HA 0.291 nan 4.420 nan 0.000 0.282 107 P C -0.833 176.143 177.300 -0.540 0.000 1.262 107 P CA -0.408 62.424 63.100 -0.447 0.000 0.773 107 P CB 0.710 32.004 31.700 -0.677 0.000 0.879 108 V N 6.678 126.301 119.914 -0.486 0.000 2.293 108 V HA 0.250 4.370 4.120 0.001 0.000 0.275 108 V C -1.984 173.836 176.094 -0.456 0.000 1.021 108 V CA -2.167 59.893 62.300 -0.401 0.000 0.815 108 V CB 1.234 32.910 31.823 -0.243 0.000 1.025 108 V HN 0.497 nan 8.190 nan 0.000 0.448 109 P HA 0.172 nan 4.420 nan 0.000 0.268 109 P C -0.744 176.449 177.300 -0.178 0.000 1.205 109 P CA 0.204 63.089 63.100 -0.359 0.000 0.771 109 P CB 1.234 32.841 31.700 -0.155 0.000 0.858 110 V N 3.043 122.889 119.914 -0.113 0.000 2.733 110 V HA 0.193 4.314 4.120 0.001 0.000 0.306 110 V C 0.368 176.460 176.094 -0.004 0.000 1.084 110 V CA -0.764 61.497 62.300 -0.064 0.000 0.905 110 V CB 1.972 33.750 31.823 -0.074 0.000 1.010 110 V HN 0.489 nan 8.190 nan 0.000 0.424 111 E N 5.162 125.370 120.200 0.012 0.000 2.404 111 E HA 0.233 4.584 4.350 0.001 0.000 0.261 111 E C -2.362 174.288 176.600 0.083 0.000 1.074 111 E CA -1.299 55.134 56.400 0.056 0.000 0.917 111 E CB 0.983 30.703 29.700 0.034 0.000 0.965 111 E HN 0.396 nan 8.360 nan 0.000 0.433 112 P HA 0.016 nan 4.420 nan 0.000 0.276 112 P C -0.133 177.272 177.300 0.175 0.000 1.252 112 P CA -0.182 63.026 63.100 0.180 0.000 0.802 112 P CB 0.495 32.350 31.700 0.259 0.000 1.035 113 H N 1.751 120.894 119.070 0.121 0.000 2.895 113 H HA -0.060 4.497 4.556 0.001 0.000 0.371 113 H C 1.336 176.720 175.328 0.094 0.000 1.219 113 H CA 0.736 56.845 56.048 0.102 0.000 1.431 113 H CB 0.824 30.662 29.762 0.126 0.000 1.414 113 H HN 0.597 nan 8.280 nan 0.000 0.617 114 E N 1.679 121.600 120.200 -0.464 0.000 2.268 114 E HA -0.155 4.196 4.350 0.001 0.000 0.195 114 E C 0.068 176.712 176.600 0.073 0.000 0.995 114 E CA 1.331 57.627 56.400 -0.173 0.000 0.836 114 E CB 0.187 29.749 29.700 -0.231 0.000 0.763 114 E HN 0.599 nan 8.360 nan 0.000 0.491 115 D N -0.692 119.981 120.400 0.455 0.000 2.423 115 D HA 0.057 4.697 4.640 0.001 0.000 0.208 115 D C 0.041 176.550 176.300 0.348 0.000 1.068 115 D CA 0.235 54.454 54.000 0.364 0.000 0.860 115 D CB 0.467 41.470 40.800 0.337 0.000 0.992 115 D HN 0.216 nan 8.370 nan 0.000 0.504 116 H N 0.955 120.185 119.070 0.267 0.000 2.600 116 H HA 0.163 4.720 4.556 0.001 0.000 0.357 116 H C -2.009 173.442 175.328 0.205 0.000 1.106 116 H CA -1.835 54.296 56.048 0.139 0.000 1.193 116 H CB 3.189 32.969 29.762 0.029 0.000 1.594 116 H HN -0.276 nan 8.280 nan 0.000 0.526 117 P HA -0.077 nan 4.420 nan 0.000 0.261 117 P C 0.134 177.448 177.300 0.023 0.000 1.288 117 P CA 0.462 63.613 63.100 0.085 0.000 0.751 117 P CB -0.385 31.245 31.700 -0.118 0.000 1.103 118 T N -3.663 110.950 114.554 0.097 0.000 2.942 118 T HA 0.428 4.778 4.350 0.001 0.000 0.289 118 T C -0.104 174.690 174.700 0.156 0.000 1.044 118 T CA -1.344 60.826 62.100 0.118 0.000 1.023 118 T CB 0.792 69.778 68.868 0.196 0.000 1.123 118 T HN -0.250 nan 8.240 nan 0.000 0.512 119 L N 2.767 124.040 121.223 0.083 0.000 2.706 119 L HA 0.102 4.443 4.340 0.001 0.000 0.282 119 L C 0.592 177.523 176.870 0.102 0.000 1.219 119 L CA 0.679 55.557 54.840 0.064 0.000 0.935 119 L CB -0.528 41.530 42.059 -0.002 0.000 1.204 119 L HN 0.748 nan 8.230 nan 0.000 0.491 120 D N 7.551 128.016 120.400 0.108 0.000 2.344 120 D HA 0.086 4.726 4.640 0.001 0.000 0.253 120 D C -1.617 174.727 176.300 0.074 0.000 1.255 120 D CA -1.781 52.293 54.000 0.124 0.000 0.894 120 D CB 1.292 42.142 40.800 0.085 0.000 1.067 120 D HN 0.307 nan 8.370 nan 0.000 0.492 121 P HA -0.149 nan 4.420 nan 0.000 0.216 121 P C 1.845 179.169 177.300 0.040 0.000 1.150 121 P CA 0.816 63.945 63.100 0.049 0.000 0.843 121 P CB 0.296 32.027 31.700 0.051 0.000 0.787 122 L N -1.531 119.722 121.223 0.050 0.000 2.046 122 L HA -0.147 4.194 4.340 0.001 0.000 0.208 122 L C 2.585 179.463 176.870 0.013 0.000 1.077 122 L CA 1.398 56.257 54.840 0.032 0.000 0.747 122 L CB -1.003 41.076 42.059 0.033 0.000 0.896 122 L HN -0.019 nan 8.230 nan 0.000 0.432 123 L N -1.064 120.164 121.223 0.009 0.000 2.056 123 L HA -0.174 4.166 4.340 0.001 0.000 0.207 123 L C 2.609 179.465 176.870 -0.024 0.000 1.078 123 L CA 0.670 55.504 54.840 -0.010 0.000 0.749 123 L CB -0.562 41.493 42.059 -0.007 0.000 0.901 123 L HN 0.040 nan 8.230 nan 0.000 0.433 124 V N 0.451 120.355 119.914 -0.017 0.000 2.231 124 V HA -0.388 3.732 4.120 0.001 0.000 0.250 124 V C 2.568 178.633 176.094 -0.048 0.000 1.058 124 V CA 2.389 64.668 62.300 -0.035 0.000 1.022 124 V CB -0.464 31.346 31.823 -0.021 0.000 0.640 124 V HN 0.550 nan 8.190 nan 0.000 0.445 125 E N 0.076 120.263 120.200 -0.022 0.000 2.049 125 E HA -0.296 4.054 4.350 0.001 0.000 0.198 125 E C 2.238 178.803 176.600 -0.059 0.000 1.007 125 E CA 1.932 58.317 56.400 -0.024 0.000 0.809 125 E CB -0.178 29.539 29.700 0.029 0.000 0.749 125 E HN 0.591 nan 8.360 nan 0.000 0.450 126 K N -0.016 120.359 120.400 -0.041 0.000 2.113 126 K HA -0.186 4.134 4.320 0.001 0.000 0.208 126 K C 2.217 178.771 176.600 -0.076 0.000 1.047 126 K CA 1.156 57.413 56.287 -0.050 0.000 0.928 126 K CB -0.257 32.221 32.500 -0.037 0.000 0.716 126 K HN 0.218 nan 8.250 nan 0.000 0.446 127 A N 1.805 124.575 122.820 -0.083 0.000 1.972 127 A HA -0.076 4.245 4.320 0.001 0.000 0.219 127 A C 1.180 178.687 177.584 -0.128 0.000 1.169 127 A CA 0.611 52.588 52.037 -0.101 0.000 0.635 127 A CB -0.600 18.338 19.000 -0.103 0.000 0.810 127 A HN 0.192 nan 8.150 nan 0.000 0.446 128 I N 1.816 122.287 120.570 -0.165 0.000 2.741 128 I HA 0.060 4.230 4.170 0.001 0.000 0.288 128 I C 0.917 176.913 176.117 -0.201 0.000 1.192 128 I CA 0.518 61.682 61.300 -0.227 0.000 1.426 128 I CB 0.161 37.911 38.000 -0.417 0.000 1.367 128 I HN 0.410 nan 8.210 nan 0.000 0.563 129 T N 3.642 118.102 114.554 -0.158 0.000 2.907 129 T HA 0.451 4.801 4.350 0.001 0.000 0.290 129 T C -2.037 172.605 174.700 -0.098 0.000 1.066 129 T CA -1.816 60.216 62.100 -0.115 0.000 1.012 129 T CB 2.021 70.838 68.868 -0.086 0.000 1.184 129 T HN 0.295 nan 8.240 nan 0.000 0.522 130 P HA 0.032 nan 4.420 nan 0.000 0.223 130 P C 1.078 178.353 177.300 -0.043 0.000 1.144 130 P CA 0.761 63.833 63.100 -0.046 0.000 0.783 130 P CB 0.078 31.760 31.700 -0.031 0.000 0.771 131 R N -1.076 119.394 120.500 -0.050 0.000 2.210 131 R HA 0.096 4.437 4.340 0.001 0.000 0.203 131 R C 0.456 176.725 176.300 -0.052 0.000 1.010 131 R CA 0.292 56.365 56.100 -0.045 0.000 1.008 131 R CB -0.449 29.824 30.300 -0.044 0.000 0.923 131 R HN 0.114 nan 8.270 nan 0.000 0.469 132 T N 1.055 115.567 114.554 -0.069 0.000 2.905 132 T HA 0.011 4.362 4.350 0.001 0.000 0.299 132 T C 0.908 175.576 174.700 -0.054 0.000 1.024 132 T CA 0.313 62.367 62.100 -0.076 0.000 1.151 132 T CB 0.992 69.795 68.868 -0.108 0.000 0.987 132 T HN 0.037 nan 8.240 nan 0.000 0.535 133 R N 0.780 121.256 120.500 -0.040 0.000 2.507 133 R HA 0.549 4.889 4.340 0.001 0.000 0.230 133 R C 0.221 176.528 176.300 0.011 0.000 0.897 133 R CA 0.132 56.224 56.100 -0.013 0.000 1.006 133 R CB 0.449 30.762 30.300 0.021 0.000 1.341 133 R HN 0.753 nan 8.270 nan 0.000 0.604 134 A N 0.219 123.039 122.820 -0.000 0.000 2.612 134 A HA 0.658 4.979 4.320 0.001 0.000 0.293 134 A C -1.570 175.993 177.584 -0.035 0.000 1.075 134 A CA -0.626 51.422 52.037 0.018 0.000 0.680 134 A CB 1.037 20.072 19.000 0.059 0.000 1.279 134 A HN 0.032 nan 8.150 nan 0.000 0.411 135 L N 0.954 122.157 121.223 -0.033 0.000 2.325 135 L HA 0.603 4.944 4.340 0.001 0.000 0.278 135 L C -0.544 176.278 176.870 -0.080 0.000 1.023 135 L CA -0.499 54.301 54.840 -0.066 0.000 0.811 135 L CB 1.748 43.775 42.059 -0.054 0.000 1.249 135 L HN 0.659 nan 8.230 nan 0.000 0.431 136 L N 5.210 126.364 121.223 -0.115 0.000 2.495 136 L HA 0.410 4.751 4.340 0.001 0.000 0.248 136 L C -2.304 174.469 176.870 -0.161 0.000 1.229 136 L CA -1.500 53.261 54.840 -0.133 0.000 0.942 136 L CB 1.275 43.253 42.059 -0.134 0.000 1.242 136 L HN 0.328 nan 8.230 nan 0.000 0.484 137 P HA 0.121 nan 4.420 nan 0.000 0.275 137 P C -0.806 176.271 177.300 -0.372 0.000 1.228 137 P CA -0.052 62.901 63.100 -0.245 0.000 0.786 137 P CB 1.757 33.296 31.700 -0.267 0.000 0.927 138 V N 4.071 123.780 119.914 -0.340 0.000 2.409 138 V HA 0.157 4.278 4.120 0.001 0.000 0.291 138 V C 0.429 176.309 176.094 -0.356 0.000 1.020 138 V CA -0.590 61.499 62.300 -0.352 0.000 0.848 138 V CB 0.817 32.514 31.823 -0.210 0.000 0.990 138 V HN 0.541 nan 8.190 nan 0.000 0.430 139 H N 4.909 123.915 119.070 -0.106 0.000 2.998 139 H HA 0.219 4.775 4.556 0.001 0.000 0.241 139 H C 0.040 175.323 175.328 -0.076 0.000 1.852 139 H CA -0.438 55.571 56.048 -0.065 0.000 1.419 139 H CB 0.367 30.097 29.762 -0.052 0.000 1.793 139 H HN 0.370 nan 8.280 nan 0.000 0.553 140 L N 2.493 123.657 121.223 -0.097 0.000 2.490 140 L HA -0.103 4.237 4.340 0.001 0.000 0.274 140 L C 0.161 176.962 176.870 -0.116 0.000 1.201 140 L CA 0.350 55.025 54.840 -0.276 0.000 0.869 140 L CB -0.111 41.553 42.059 -0.660 0.000 1.123 140 L HN 0.490 nan 8.230 nan 0.000 0.484 141 Y N 2.211 122.598 120.300 0.146 0.000 4.851 141 Y HA -0.227 4.324 4.550 0.001 0.000 0.235 141 Y C 1.461 177.470 175.900 0.181 0.000 0.998 141 Y CA 1.071 59.297 58.100 0.209 0.000 1.980 141 Y CB -2.236 36.336 38.460 0.187 0.000 1.561 141 Y HN 0.901 nan 8.280 nan 0.000 0.585 142 G N -1.418 107.510 108.800 0.214 0.000 2.144 142 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 142 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 142 G C -0.225 174.536 174.900 -0.232 0.000 0.988 142 G CA -0.031 45.079 45.100 0.016 0.000 0.659 142 G HN 0.682 nan 8.290 nan 0.000 0.522 143 H N 1.000 120.040 119.070 -0.050 0.000 2.519 143 H HA 0.342 4.898 4.556 0.001 0.000 0.316 143 H C -2.411 172.997 175.328 0.134 0.000 1.065 143 H CA -1.494 54.542 56.048 -0.021 0.000 1.264 143 H CB 1.859 31.514 29.762 -0.179 0.000 1.413 143 H HN 0.111 nan 8.280 nan 0.000 0.465 144 P HA 0.070 nan 4.420 nan 0.000 0.272 144 P C -0.354 177.169 177.300 0.371 0.000 1.223 144 P CA -0.213 62.976 63.100 0.149 0.000 0.784 144 P CB 0.788 32.482 31.700 -0.011 0.000 0.923 145 A N 1.542 124.652 122.820 0.483 0.000 2.272 145 A HA 0.231 4.551 4.320 0.001 0.000 0.275 145 A C 0.313 177.890 177.584 -0.013 0.000 1.096 145 A CA -0.241 51.937 52.037 0.235 0.000 0.822 145 A CB -0.153 18.918 19.000 0.118 0.000 1.088 145 A HN 0.462 nan 8.150 nan 0.000 0.495 146 D N 1.622 122.012 120.400 -0.018 0.000 2.541 146 D HA 0.079 4.719 4.640 0.001 0.000 0.231 146 D C 1.158 177.315 176.300 -0.239 0.000 1.163 146 D CA -0.092 53.867 54.000 -0.069 0.000 1.077 146 D CB -0.154 40.661 40.800 0.025 0.000 1.110 146 D HN 0.309 nan 8.370 nan 0.000 0.499 147 M N 1.269 120.436 119.600 -0.723 0.000 2.108 147 M HA -0.151 4.329 4.480 0.001 0.000 0.261 147 M C 1.186 177.345 176.300 -0.235 0.000 1.066 147 M CA 1.212 56.173 55.300 -0.566 0.000 1.107 147 M CB -0.558 31.589 32.600 -0.755 0.000 1.356 147 M HN 0.266 nan 8.290 nan 0.000 0.406 148 D N 0.450 120.818 120.400 -0.053 0.000 2.097 148 D HA -0.049 4.592 4.640 0.001 0.000 0.195 148 D C 2.061 178.389 176.300 0.047 0.000 0.989 148 D CA 1.715 55.779 54.000 0.106 0.000 0.827 148 D CB -0.199 40.733 40.800 0.220 0.000 0.966 148 D HN 0.330 nan 8.370 nan 0.000 0.456 149 A N 0.739 123.585 122.820 0.043 0.000 1.877 149 A HA -0.127 4.194 4.320 0.001 0.000 0.216 149 A C 2.418 180.008 177.584 0.011 0.000 1.186 149 A CA 0.995 53.051 52.037 0.031 0.000 0.620 149 A CB -0.881 18.142 19.000 0.038 0.000 0.822 149 A HN 0.207 nan 8.150 nan 0.000 0.443 150 L N -1.169 120.046 121.223 -0.013 0.000 2.013 150 L HA -0.241 4.100 4.340 0.001 0.000 0.212 150 L C 2.889 179.752 176.870 -0.011 0.000 1.073 150 L CA 1.816 56.645 54.840 -0.018 0.000 0.753 150 L CB -0.540 41.493 42.059 -0.044 0.000 0.890 150 L HN 0.359 nan 8.230 nan 0.000 0.432 151 R N 0.077 120.567 120.500 -0.016 0.000 2.096 151 R HA -0.212 4.129 4.340 0.001 0.000 0.235 151 R C 2.294 178.593 176.300 -0.002 0.000 1.127 151 R CA 1.689 57.785 56.100 -0.006 0.000 0.968 151 R CB -0.215 30.084 30.300 -0.002 0.000 0.861 151 R HN 0.518 nan 8.270 nan 0.000 0.440 152 E N 0.841 121.043 120.200 0.002 0.000 2.077 152 E HA -0.198 4.153 4.350 0.001 0.000 0.193 152 E C 1.886 178.478 176.600 -0.013 0.000 0.989 152 E CA 1.124 57.522 56.400 -0.005 0.000 0.800 152 E CB -0.300 29.401 29.700 0.003 0.000 0.746 152 E HN 0.274 nan 8.360 nan 0.000 0.452 153 L N 0.461 121.690 121.223 0.011 0.000 1.994 153 L HA -0.161 4.179 4.340 0.001 0.000 0.208 153 L C 2.758 179.665 176.870 0.060 0.000 1.071 153 L CA 1.299 56.169 54.840 0.050 0.000 0.745 153 L CB -0.696 41.402 42.059 0.066 0.000 0.892 153 L HN 0.390 nan 8.230 nan 0.000 0.431 154 A N 0.228 123.067 122.820 0.032 0.000 1.841 154 A HA -0.291 4.029 4.320 0.001 0.000 0.216 154 A C 1.828 179.407 177.584 -0.008 0.000 1.199 154 A CA 2.239 54.287 52.037 0.019 0.000 0.621 154 A CB -0.887 18.113 19.000 0.001 0.000 0.835 154 A HN 0.435 nan 8.150 nan 0.000 0.445 155 D N -0.842 119.544 120.400 -0.024 0.000 2.149 155 D HA -0.212 4.428 4.640 0.001 0.000 0.194 155 D C 2.005 178.259 176.300 -0.077 0.000 1.001 155 D CA 1.651 55.625 54.000 -0.043 0.000 0.849 155 D CB -0.409 40.372 40.800 -0.031 0.000 0.939 155 D HN 0.538 nan 8.370 nan 0.000 0.449 156 R N -0.319 120.114 120.500 -0.111 0.000 2.070 156 R HA -0.114 4.227 4.340 0.001 0.000 0.233 156 R C 1.693 177.785 176.300 -0.348 0.000 1.137 156 R CA 1.215 57.169 56.100 -0.243 0.000 0.945 156 R CB -0.037 30.073 30.300 -0.317 0.000 0.845 156 R HN 0.347 nan 8.270 nan 0.000 0.430 157 H N -1.266 117.778 119.070 -0.043 0.000 2.526 157 H HA 0.148 4.705 4.556 0.001 0.000 0.274 157 H C 0.648 175.935 175.328 -0.069 0.000 0.999 157 H CA 0.768 56.786 56.048 -0.050 0.000 1.157 157 H CB 0.696 30.428 29.762 -0.048 0.000 1.407 157 H HN 0.568 nan 8.280 nan 0.000 0.568 158 G N 1.529 110.321 108.800 -0.014 0.000 2.273 158 G HA2 -0.263 3.697 3.960 0.001 0.000 0.280 158 G HA3 -0.263 3.697 3.960 0.001 0.000 0.280 158 G C 0.052 174.876 174.900 -0.126 0.000 1.047 158 G CA 0.167 45.224 45.100 -0.071 0.000 0.869 158 G HN 0.277 nan 8.290 nan 0.000 0.502 159 L N -0.150 121.017 121.223 -0.095 0.000 2.352 159 L HA 0.624 4.965 4.340 0.001 0.000 0.269 159 L C 0.787 177.563 176.870 -0.157 0.000 1.034 159 L CA -1.370 53.399 54.840 -0.119 0.000 0.806 159 L CB 1.096 43.138 42.059 -0.028 0.000 1.244 159 L HN 0.136 nan 8.230 nan 0.000 0.447 160 H N 1.460 120.521 119.070 -0.014 0.000 2.517 160 H HA 0.582 5.139 4.556 0.001 0.000 0.346 160 H C -0.665 174.645 175.328 -0.029 0.000 1.222 160 H CA -0.403 55.635 56.048 -0.017 0.000 1.314 160 H CB 2.241 31.991 29.762 -0.020 0.000 1.609 160 H HN 0.337 nan 8.280 nan 0.000 0.571 161 I N 1.693 122.339 120.570 0.126 0.000 2.468 161 I HA 0.143 4.314 4.170 0.001 0.000 0.285 161 I C -0.636 175.484 176.117 0.006 0.000 1.039 161 I CA -0.648 60.672 61.300 0.033 0.000 1.074 161 I CB 2.010 40.013 38.000 0.005 0.000 1.228 161 I HN 0.018 nan 8.210 nan 0.000 0.436 162 V N 5.971 125.867 119.914 -0.030 0.000 2.334 162 V HA 0.265 4.385 4.120 0.001 0.000 0.281 162 V C 0.092 176.127 176.094 -0.098 0.000 1.016 162 V CA -0.567 61.699 62.300 -0.056 0.000 0.832 162 V CB 1.459 33.245 31.823 -0.062 0.000 0.999 162 V HN 0.685 nan 8.190 nan 0.000 0.439 163 E N 2.883 123.019 120.200 -0.108 0.000 2.313 163 E HA 0.187 4.537 4.350 0.001 0.000 0.276 163 E C -0.613 175.843 176.600 -0.240 0.000 1.031 163 E CA -0.377 55.915 56.400 -0.180 0.000 0.857 163 E CB 1.095 30.749 29.700 -0.078 0.000 1.040 163 E HN 0.562 nan 8.360 nan 0.000 0.408 164 D N 2.227 122.448 120.400 -0.297 0.000 2.428 164 D HA 0.214 4.855 4.640 0.001 0.000 0.221 164 D C -0.515 175.601 176.300 -0.307 0.000 1.123 164 D CA -0.314 53.526 54.000 -0.267 0.000 0.869 164 D CB 0.880 41.565 40.800 -0.192 0.000 1.032 164 D HN 0.447 nan 8.370 nan 0.000 0.506 165 A N 3.158 125.718 122.820 -0.435 0.000 2.500 165 A HA 0.458 4.779 4.320 0.001 0.000 0.267 165 A C 1.709 178.992 177.584 -0.501 0.000 1.290 165 A CA 0.333 52.071 52.037 -0.498 0.000 0.928 165 A CB 0.101 18.478 19.000 -1.039 0.000 1.066 165 A HN 0.533 nan 8.150 nan 0.000 0.516 166 A N -0.163 122.459 122.820 -0.329 0.000 2.131 166 A HA -0.157 4.163 4.320 0.001 0.000 0.220 166 A C 1.713 179.246 177.584 -0.085 0.000 1.158 166 A CA 1.490 53.413 52.037 -0.190 0.000 0.665 166 A CB -0.231 18.696 19.000 -0.120 0.000 0.795 166 A HN 0.610 nan 8.150 nan 0.000 0.460 167 Q N -1.848 117.890 119.800 -0.103 0.000 2.179 167 Q HA 0.441 4.782 4.340 0.001 0.000 0.213 167 Q C 0.346 176.417 176.000 0.119 0.000 0.833 167 Q CA 0.404 56.138 55.803 -0.116 0.000 0.990 167 Q CB 0.694 29.429 28.738 -0.006 0.000 1.132 167 Q HN 0.521 nan 8.270 nan 0.000 0.493 168 A N 0.319 123.222 122.820 0.137 0.000 2.674 168 A HA 0.246 4.567 4.320 0.001 0.000 0.286 168 A C -0.974 176.831 177.584 0.368 0.000 0.980 168 A CA -0.572 51.593 52.037 0.213 0.000 1.028 168 A CB -0.200 18.872 19.000 0.119 0.000 1.199 168 A HN 0.246 nan 8.150 nan 0.000 0.499 169 H N -0.322 119.023 119.070 0.458 0.000 3.070 169 H HA 0.370 4.927 4.556 0.001 0.000 0.313 169 H C 1.558 177.172 175.328 0.476 0.000 0.997 169 H CA 1.384 57.788 56.048 0.593 0.000 1.438 169 H CB 0.396 30.462 29.762 0.507 0.000 1.455 169 H HN 0.760 nan 8.280 nan 0.000 0.575 170 G N 1.085 110.260 108.800 0.624 0.000 2.205 170 G HA2 -0.272 3.689 3.960 0.001 0.000 0.261 170 G HA3 -0.272 3.689 3.960 0.001 0.000 0.261 170 G C 0.683 175.699 174.900 0.192 0.000 0.980 170 G CA 0.105 45.470 45.100 0.441 0.000 0.632 170 G HN 0.983 nan 8.290 nan 0.000 0.533 171 A N -0.022 122.908 122.820 0.182 0.000 2.406 171 A HA 0.710 5.030 4.320 0.001 0.000 0.243 171 A C 0.758 178.353 177.584 0.018 0.000 1.082 171 A CA 0.637 52.718 52.037 0.074 0.000 0.786 171 A CB 0.289 19.303 19.000 0.024 0.000 1.029 171 A HN 0.639 nan 8.150 nan 0.000 0.495 172 R N -0.774 119.730 120.500 0.005 0.000 2.740 172 R HA 0.485 4.825 4.340 0.001 0.000 0.282 172 R C -1.818 174.510 176.300 0.046 0.000 0.969 172 R CA -0.511 55.590 56.100 0.002 0.000 0.918 172 R CB 1.898 32.186 30.300 -0.021 0.000 1.175 172 R HN 0.739 nan 8.270 nan 0.000 0.464 173 Y N 1.616 121.867 120.300 -0.081 0.000 2.363 173 Y HA 0.264 4.814 4.550 0.001 0.000 0.325 173 Y C -0.312 175.557 175.900 -0.050 0.000 0.984 173 Y CA -0.549 57.508 58.100 -0.070 0.000 1.248 173 Y CB 0.823 39.229 38.460 -0.090 0.000 1.116 173 Y HN 0.716 nan 8.280 nan 0.000 0.470 174 R N 4.418 124.643 120.500 -0.458 0.000 3.418 174 R HA -0.205 4.135 4.340 0.001 0.000 0.274 174 R C 1.019 177.224 176.300 -0.158 0.000 1.108 174 R CA 0.927 56.809 56.100 -0.363 0.000 0.741 174 R CB -1.733 28.297 30.300 -0.451 0.000 1.223 174 R HN 1.423 nan 8.270 nan 0.000 0.434 175 G N -0.343 108.391 108.800 -0.110 0.000 2.245 175 G HA2 -0.391 3.570 3.960 0.001 0.000 0.264 175 G HA3 -0.391 3.570 3.960 0.001 0.000 0.264 175 G C 0.235 175.102 174.900 -0.054 0.000 0.985 175 G CA 0.712 45.771 45.100 -0.068 0.000 0.625 175 G HN 0.389 nan 8.290 nan 0.000 0.536 176 R N 0.674 121.152 120.500 -0.037 0.000 2.368 176 R HA 0.443 4.784 4.340 0.001 0.000 0.302 176 R C 0.490 176.775 176.300 -0.024 0.000 1.002 176 R CA -0.941 55.145 56.100 -0.023 0.000 0.929 176 R CB 0.659 30.967 30.300 0.014 0.000 1.073 176 R HN 0.086 nan 8.270 nan 0.000 0.464 177 R N 1.982 122.440 120.500 -0.069 0.000 2.623 177 R HA 0.077 4.417 4.340 0.001 0.000 0.271 177 R C 0.503 176.783 176.300 -0.033 0.000 1.043 177 R CA -0.077 55.971 56.100 -0.087 0.000 1.083 177 R CB 0.335 30.523 30.300 -0.186 0.000 0.974 177 R HN 0.446 nan 8.270 nan 0.000 0.436 178 I N 1.711 122.277 120.570 -0.008 0.000 2.618 178 I HA -0.004 4.167 4.170 0.001 0.000 0.284 178 I C 1.594 177.773 176.117 0.103 0.000 1.146 178 I CA 1.209 62.504 61.300 -0.009 0.000 1.425 178 I CB 0.347 38.298 38.000 -0.081 0.000 1.383 178 I HN 0.944 nan 8.210 nan 0.000 0.562 179 G N 4.844 113.694 108.800 0.083 0.000 2.213 179 G HA2 -0.158 3.802 3.960 0.001 0.000 0.226 179 G HA3 -0.158 3.802 3.960 0.001 0.000 0.226 179 G C 0.551 175.470 174.900 0.033 0.000 0.992 179 G CA 0.016 45.190 45.100 0.122 0.000 0.632 179 G HN 0.977 nan 8.290 nan 0.000 0.511 180 A N 0.338 123.158 122.820 -0.001 0.000 2.507 180 A HA 0.644 4.965 4.320 0.001 0.000 0.235 180 A C 2.232 179.813 177.584 -0.006 0.000 1.070 180 A CA 2.021 54.043 52.037 -0.025 0.000 0.768 180 A CB -0.250 18.731 19.000 -0.031 0.000 1.011 180 A HN 2.400 nan 8.150 nan 0.000 0.502 181 G N 1.177 109.966 108.800 -0.018 0.000 2.692 181 G HA2 -0.386 3.575 3.960 0.001 0.000 0.339 181 G HA3 -0.386 3.575 3.960 0.001 0.000 0.339 181 G C 1.499 176.407 174.900 0.014 0.000 1.226 181 G CA 2.172 47.268 45.100 -0.007 0.000 0.979 181 G HN 2.290 nan 8.290 nan 0.000 0.549 182 S N 0.146 115.859 115.700 0.023 0.000 2.593 182 S HA 0.479 4.949 4.470 0.001 0.000 0.217 182 S C 1.120 175.744 174.600 0.040 0.000 0.966 182 S CA 1.092 59.314 58.200 0.035 0.000 0.914 182 S CB 0.093 63.313 63.200 0.033 0.000 0.776 182 S HN 0.894 nan 8.310 nan 0.000 0.523 183 S N 1.385 117.106 115.700 0.035 0.000 2.573 183 S HA 0.357 4.828 4.470 0.001 0.000 0.277 183 S C -0.207 174.421 174.600 0.047 0.000 1.346 183 S CA -0.393 57.830 58.200 0.037 0.000 1.034 183 S CB 1.080 64.303 63.200 0.039 0.000 0.879 183 S HN 0.304 nan 8.310 nan 0.000 0.528 184 V N 2.441 122.377 119.914 0.036 0.000 2.325 184 V HA 0.662 4.782 4.120 0.001 0.000 0.280 184 V C -0.007 176.095 176.094 0.014 0.000 1.016 184 V CA -0.485 61.833 62.300 0.031 0.000 0.818 184 V CB 0.685 32.510 31.823 0.002 0.000 1.019 184 V HN 0.944 nan 8.190 nan 0.000 0.434 185 A N 3.956 126.800 122.820 0.041 0.000 2.386 185 A HA 0.976 5.296 4.320 0.001 0.000 0.311 185 A C -0.137 177.413 177.584 -0.056 0.000 1.068 185 A CA -0.369 51.635 52.037 -0.056 0.000 0.743 185 A CB 1.729 20.662 19.000 -0.112 0.000 1.258 185 A HN 1.150 nan 8.150 nan 0.000 0.429 186 A N 1.285 123.976 122.820 -0.215 0.000 2.312 186 A HA 0.860 5.180 4.320 0.001 0.000 0.326 186 A C -0.950 176.400 177.584 -0.390 0.000 1.172 186 A CA -0.242 51.710 52.037 -0.142 0.000 0.821 186 A CB 0.192 19.125 19.000 -0.112 0.000 1.166 186 A HN 0.724 nan 8.150 nan 0.000 0.493 187 F N 0.280 120.161 119.950 -0.116 0.000 2.603 187 F HA 0.640 5.167 4.527 0.001 0.000 0.317 187 F C 0.581 176.101 175.800 -0.467 0.000 1.066 187 F CA -0.387 57.435 58.000 -0.296 0.000 0.941 187 F CB 2.515 41.347 39.000 -0.280 0.000 1.291 187 F HN 0.528 nan 8.300 nan 0.000 0.472 188 S N 0.704 116.283 115.700 -0.202 0.000 2.503 188 S HA 0.623 5.093 4.470 0.001 0.000 0.301 188 S C -0.761 173.719 174.600 -0.199 0.000 1.087 188 S CA -0.399 57.669 58.200 -0.221 0.000 1.042 188 S CB 0.589 63.773 63.200 -0.027 0.000 1.043 188 S HN 0.441 nan 8.310 nan 0.000 0.489 189 F N 2.808 122.875 119.950 0.196 0.000 2.735 189 F HA 0.304 4.831 4.527 0.001 0.000 0.304 189 F C 0.210 176.039 175.800 0.047 0.000 1.119 189 F CA -1.142 56.890 58.000 0.054 0.000 1.280 189 F CB -0.689 38.250 39.000 -0.101 0.000 0.994 189 F HN 0.694 nan 8.300 nan 0.000 0.520 190 Y N 4.275 124.628 120.300 0.089 0.000 2.805 190 Y HA 0.037 4.588 4.550 0.001 0.000 0.337 190 Y C -1.310 174.624 175.900 0.057 0.000 1.252 190 Y CA -1.728 56.408 58.100 0.060 0.000 1.515 190 Y CB 0.636 39.121 38.460 0.041 0.000 1.305 190 Y HN -0.071 nan 8.280 nan 0.000 0.600 191 P HA -0.219 nan 4.420 nan 0.000 0.218 191 P C 1.090 178.263 177.300 -0.212 0.000 1.152 191 P CA 2.642 65.502 63.100 -0.400 0.000 0.857 191 P CB -0.091 31.365 31.700 -0.407 0.000 0.787 192 G N -1.705 106.978 108.800 -0.194 0.000 2.985 192 G HA2 -0.042 3.919 3.960 0.001 0.000 0.209 192 G HA3 -0.042 3.919 3.960 0.001 0.000 0.209 192 G C 0.590 175.716 174.900 0.377 0.000 1.165 192 G CA -0.065 45.154 45.100 0.199 0.000 0.776 192 G HN 0.164 nan 8.290 nan 0.000 0.541 193 K N 0.487 121.077 120.400 0.317 0.000 2.149 193 K HA 0.145 4.465 4.320 0.001 0.000 0.245 193 K C 0.875 177.577 176.600 0.171 0.000 1.024 193 K CA -0.613 55.814 56.287 0.234 0.000 0.899 193 K CB 0.321 32.931 32.500 0.184 0.000 1.038 193 K HN -0.142 nan 8.250 nan 0.000 0.496 194 N N -0.003 118.776 118.700 0.131 0.000 2.205 194 N HA -0.157 4.584 4.740 0.001 0.000 0.186 194 N C 0.153 175.674 175.510 0.018 0.000 1.015 194 N CA 0.797 53.953 53.050 0.178 0.000 0.862 194 N CB -0.087 38.575 38.487 0.292 0.000 0.986 194 N HN 0.272 nan 8.380 nan 0.000 0.429 195 L N 0.008 121.039 121.223 -0.321 0.000 2.388 195 L HA 0.667 5.007 4.340 0.001 0.000 0.267 195 L C -0.113 176.687 176.870 -0.116 0.000 0.995 195 L CA -0.489 54.206 54.840 -0.243 0.000 0.864 195 L CB 1.171 43.060 42.059 -0.282 0.000 1.216 195 L HN -0.011 nan 8.230 nan 0.000 0.430 196 G N 2.635 111.381 108.800 -0.090 0.000 2.658 196 G HA2 0.673 4.634 3.960 0.001 0.000 0.292 196 G HA3 0.673 4.634 3.960 0.001 0.000 0.292 196 G C -0.650 174.073 174.900 -0.295 0.000 1.320 196 G CA -0.153 44.887 45.100 -0.099 0.000 0.933 196 G HN 0.920 nan 8.290 nan 0.000 0.476 197 C N -2.558 116.539 119.300 -0.339 0.000 3.590 197 C HA 0.779 5.239 4.460 0.001 0.000 0.338 197 C C 0.305 174.878 174.990 -0.695 0.000 3.308 197 C CA -0.948 57.723 59.018 -0.578 0.000 1.716 197 C CB -0.043 27.475 27.740 -0.369 0.000 3.622 197 C HN 0.502 nan 8.230 nan 0.000 0.515 198 F N 1.615 121.499 119.950 -0.109 0.000 2.983 198 F HA 0.605 5.133 4.527 0.001 0.000 0.307 198 F C 1.113 176.856 175.800 -0.095 0.000 1.218 198 F CA 0.662 58.592 58.000 -0.117 0.000 1.323 198 F CB 0.150 39.064 39.000 -0.143 0.000 0.989 198 F HN 1.155 nan 8.300 nan 0.000 0.509 199 G N -1.059 107.742 108.800 0.003 0.000 2.325 199 G HA2 0.080 4.041 3.960 0.001 0.000 0.295 199 G HA3 0.080 4.041 3.960 0.001 0.000 0.295 199 G C -2.003 172.915 174.900 0.030 0.000 1.274 199 G CA -0.944 44.169 45.100 0.022 0.000 0.857 199 G HN -0.146 nan 8.290 nan 0.000 0.499 200 D N 0.066 120.513 120.400 0.079 0.000 2.304 200 D HA 0.579 5.219 4.640 0.001 0.000 0.247 200 D C 0.468 176.839 176.300 0.119 0.000 1.089 200 D CA 1.212 55.290 54.000 0.130 0.000 0.910 200 D CB 1.582 42.462 40.800 0.134 0.000 1.199 200 D HN 0.961 nan 8.370 nan 0.000 0.426 201 G N -0.822 108.071 108.800 0.155 0.000 2.519 201 G HA2 0.568 4.528 3.960 0.001 0.000 0.292 201 G HA3 0.568 4.528 3.960 0.001 0.000 0.292 201 G C -0.967 174.017 174.900 0.141 0.000 1.507 201 G CA -0.320 44.897 45.100 0.195 0.000 0.806 201 G HN 0.628 nan 8.290 nan 0.000 0.523 202 G N -1.478 107.398 108.800 0.127 0.000 2.663 202 G HA2 1.074 5.035 3.960 0.001 0.000 0.299 202 G HA3 1.074 5.035 3.960 0.001 0.000 0.299 202 G C -1.115 173.831 174.900 0.077 0.000 1.372 202 G CA 0.195 45.204 45.100 -0.152 0.000 0.781 202 G HN 2.158 nan 8.290 nan 0.000 0.491 203 A N -1.325 121.534 122.820 0.065 0.000 2.594 203 A HA 0.695 5.016 4.320 0.001 0.000 0.296 203 A C -1.532 176.254 177.584 0.337 0.000 1.056 203 A CA -0.396 51.831 52.037 0.317 0.000 0.693 203 A CB 1.385 20.741 19.000 0.593 0.000 1.278 203 A HN 1.563 nan 8.150 nan 0.000 0.408 204 V N 1.048 121.141 119.914 0.297 0.000 2.581 204 V HA 0.715 4.835 4.120 0.001 0.000 0.303 204 V C -0.317 175.952 176.094 0.291 0.000 1.041 204 V CA -0.664 61.788 62.300 0.254 0.000 0.907 204 V CB 1.621 33.528 31.823 0.140 0.000 0.994 204 V HN 0.813 nan 8.190 nan 0.000 0.442 205 V N 3.315 123.403 119.914 0.290 0.000 2.604 205 V HA 0.845 4.965 4.120 0.001 0.000 0.305 205 V C -0.206 175.985 176.094 0.161 0.000 1.043 205 V CA 0.042 62.481 62.300 0.232 0.000 0.888 205 V CB 2.329 34.317 31.823 0.276 0.000 0.995 205 V HN 1.059 nan 8.190 nan 0.000 0.429 206 T N 2.611 117.257 114.554 0.152 0.000 2.886 206 T HA 0.473 4.824 4.350 0.001 0.000 0.330 206 T C 0.519 175.350 174.700 0.218 0.000 1.488 206 T CA 0.303 62.488 62.100 0.142 0.000 1.054 206 T CB 1.584 70.513 68.868 0.101 0.000 1.348 206 T HN 0.814 nan 8.240 nan 0.000 0.489 207 G N 1.211 110.108 108.800 0.162 0.000 3.088 207 G HA2 0.195 4.155 3.960 0.001 0.000 0.217 207 G HA3 0.195 4.155 3.960 0.001 0.000 0.217 207 G C 0.085 175.118 174.900 0.221 0.000 1.159 207 G CA -0.046 45.151 45.100 0.162 0.000 0.760 207 G HN 0.639 nan 8.290 nan 0.000 0.550 208 D N 0.785 121.288 120.400 0.172 0.000 2.317 208 D HA 0.256 4.897 4.640 0.001 0.000 0.234 208 D C -1.104 175.162 176.300 -0.057 0.000 1.112 208 D CA -2.440 51.603 54.000 0.072 0.000 0.840 208 D CB 2.382 43.197 40.800 0.026 0.000 1.078 208 D HN -0.021 nan 8.370 nan 0.000 0.486 209 P HA -0.151 nan 4.420 nan 0.000 0.217 209 P C 1.060 178.252 177.300 -0.180 0.000 1.150 209 P CA 0.962 63.933 63.100 -0.216 0.000 0.832 209 P CB 0.514 32.205 31.700 -0.014 0.000 0.787 210 E N -0.064 120.084 120.200 -0.087 0.000 2.072 210 E HA -0.144 4.206 4.350 0.001 0.000 0.191 210 E C 1.956 178.510 176.600 -0.076 0.000 0.985 210 E CA 0.633 56.995 56.400 -0.064 0.000 0.801 210 E CB -1.178 28.504 29.700 -0.029 0.000 0.750 210 E HN 0.024 nan 8.360 nan 0.000 0.452 211 L N 0.412 121.587 121.223 -0.080 0.000 2.046 211 L HA 0.016 4.357 4.340 0.001 0.000 0.208 211 L C 2.243 179.061 176.870 -0.088 0.000 1.077 211 L CA 2.189 56.985 54.840 -0.074 0.000 0.747 211 L CB -1.015 41.007 42.059 -0.062 0.000 0.896 211 L HN 0.206 nan 8.230 nan 0.000 0.432 212 A N -0.725 121.999 122.820 -0.161 0.000 1.908 212 A HA -0.288 4.032 4.320 0.001 0.000 0.218 212 A C 2.261 179.781 177.584 -0.106 0.000 1.181 212 A CA 1.932 53.865 52.037 -0.173 0.000 0.627 212 A CB -0.734 17.976 19.000 -0.484 0.000 0.818 212 A HN 0.580 nan 8.150 nan 0.000 0.445 213 E N -0.200 119.930 120.200 -0.117 0.000 2.047 213 E HA -0.144 4.206 4.350 0.001 0.000 0.191 213 E C 2.194 178.775 176.600 -0.032 0.000 0.987 213 E CA 1.399 57.762 56.400 -0.062 0.000 0.799 213 E CB -0.195 29.471 29.700 -0.058 0.000 0.752 213 E HN 0.572 nan 8.360 nan 0.000 0.449 214 R N -0.213 120.266 120.500 -0.036 0.000 2.091 214 R HA -0.097 4.243 4.340 0.001 0.000 0.238 214 R C 2.523 178.818 176.300 -0.009 0.000 1.136 214 R CA 1.521 57.610 56.100 -0.019 0.000 0.959 214 R CB -0.432 29.853 30.300 -0.025 0.000 0.856 214 R HN 0.249 nan 8.270 nan 0.000 0.437 215 L N 0.020 121.235 121.223 -0.013 0.000 2.042 215 L HA -0.212 4.128 4.340 0.001 0.000 0.210 215 L C 2.529 179.410 176.870 0.018 0.000 1.076 215 L CA 1.499 56.342 54.840 0.005 0.000 0.749 215 L CB -0.361 41.707 42.059 0.015 0.000 0.893 215 L HN 0.172 nan 8.230 nan 0.000 0.432 216 R N -0.688 119.823 120.500 0.018 0.000 2.115 216 R HA -0.110 4.230 4.340 0.001 0.000 0.230 216 R C 2.267 178.586 176.300 0.032 0.000 1.111 216 R CA 1.288 57.406 56.100 0.031 0.000 0.976 216 R CB -0.188 30.128 30.300 0.027 0.000 0.870 216 R HN 0.366 nan 8.270 nan 0.000 0.445 217 M N -0.020 119.596 119.600 0.026 0.000 2.160 217 M HA -0.079 4.401 4.480 0.001 0.000 0.264 217 M C 2.099 178.423 176.300 0.040 0.000 1.073 217 M CA 1.347 56.671 55.300 0.041 0.000 1.142 217 M CB -0.099 32.523 32.600 0.037 0.000 1.358 217 M HN 0.091 nan 8.290 nan 0.000 0.422 218 L N 0.322 121.557 121.223 0.020 0.000 2.079 218 L HA -0.224 4.116 4.340 0.001 0.000 0.210 218 L C 2.652 179.509 176.870 -0.022 0.000 1.081 218 L CA 1.452 56.294 54.840 0.003 0.000 0.752 218 L CB -0.677 41.380 42.059 -0.003 0.000 0.896 218 L HN 0.401 nan 8.230 nan 0.000 0.433 219 R N -0.242 120.253 120.500 -0.008 0.000 2.276 219 R HA -0.083 4.257 4.340 0.001 0.000 0.203 219 R C 0.670 176.944 176.300 -0.044 0.000 1.017 219 R CA 1.013 57.099 56.100 -0.023 0.000 1.010 219 R CB -0.224 30.087 30.300 0.018 0.000 0.900 219 R HN 0.170 nan 8.270 nan 0.000 0.469 220 N N -0.130 118.568 118.700 -0.003 0.000 2.723 220 N HA 0.076 4.817 4.740 0.001 0.000 0.290 220 N C -1.425 174.202 175.510 0.196 0.000 1.882 220 N CA -0.704 52.383 53.050 0.062 0.000 0.851 220 N CB -0.168 38.380 38.487 0.101 0.000 1.234 220 N HN 0.292 nan 8.380 nan 0.000 0.491 221 Y N -0.201 120.172 120.300 0.121 0.000 4.409 221 Y HA -0.283 4.267 4.550 0.001 0.000 0.228 221 Y C 1.387 177.432 175.900 0.242 0.000 1.108 221 Y CA 0.998 59.200 58.100 0.170 0.000 1.955 221 Y CB -1.485 37.114 38.460 0.233 0.000 1.615 221 Y HN 0.529 nan 8.280 nan 0.000 0.665 222 G N 0.345 109.277 108.800 0.220 0.000 2.221 222 G HA2 -0.151 3.809 3.960 0.001 0.000 0.265 222 G HA3 -0.151 3.809 3.960 0.001 0.000 0.265 222 G C 0.077 175.080 174.900 0.171 0.000 1.041 222 G CA 0.674 45.879 45.100 0.176 0.000 0.807 222 G HN 1.386 nan 8.290 nan 0.000 0.502 223 S N -1.682 114.111 115.700 0.156 0.000 2.570 223 S HA 0.829 5.299 4.470 0.001 0.000 0.286 223 S C 0.628 175.251 174.600 0.038 0.000 1.099 223 S CA -0.132 58.106 58.200 0.063 0.000 0.913 223 S CB 1.969 65.168 63.200 -0.001 0.000 1.085 223 S HN 0.851 nan 8.310 nan 0.000 0.480 224 R N 0.516 121.018 120.500 0.003 0.000 2.487 224 R HA 0.373 4.714 4.340 0.001 0.000 0.272 224 R C 0.221 176.508 176.300 -0.022 0.000 0.928 224 R CA -0.422 55.677 56.100 -0.001 0.000 1.077 224 R CB 0.255 30.556 30.300 0.001 0.000 1.265 224 R HN 0.668 nan 8.270 nan 0.000 0.537 225 Q N 1.920 121.692 119.800 -0.046 0.000 2.304 225 Q HA 0.266 4.606 4.340 0.001 0.000 0.270 225 Q C -1.431 174.495 176.000 -0.123 0.000 1.035 225 Q CA -0.940 54.819 55.803 -0.072 0.000 0.781 225 Q CB 2.309 31.012 28.738 -0.058 0.000 1.261 225 Q HN -0.073 nan 8.270 nan 0.000 0.444 226 K N 3.035 123.330 120.400 -0.174 0.000 2.491 226 K HA -0.116 4.204 4.320 0.001 0.000 0.279 226 K C -0.881 175.538 176.600 -0.301 0.000 1.026 226 K CA 1.214 57.299 56.287 -0.337 0.000 1.070 226 K CB -0.251 31.935 32.500 -0.523 0.000 0.887 226 K HN 0.770 nan 8.250 nan 0.000 0.481 227 Y N 0.153 120.329 120.300 -0.206 0.000 4.929 227 Y HA -0.316 4.234 4.550 0.000 0.000 0.252 227 Y C 0.109 175.750 175.900 -0.432 0.000 0.950 227 Y CA 0.316 58.257 58.100 -0.266 0.000 1.935 227 Y CB -1.730 36.699 38.460 -0.053 0.000 1.440 227 Y HN 0.533 nan 8.280 nan 0.000 0.567 228 S N 1.436 116.922 115.700 -0.357 0.000 2.505 228 S HA 0.289 4.759 4.470 0.001 0.000 0.280 228 S C -0.308 174.094 174.600 -0.330 0.000 1.197 228 S CA -0.613 57.440 58.200 -0.245 0.000 1.138 228 S CB 0.046 63.188 63.200 -0.097 0.000 1.010 228 S HN 0.265 nan 8.310 nan 0.000 0.480 229 H N 4.044 123.169 119.070 0.091 0.000 2.882 229 H HA 0.211 4.767 4.556 0.001 0.000 0.258 229 H C 0.811 176.178 175.328 0.064 0.000 1.579 229 H CA -0.180 55.922 56.048 0.090 0.000 1.340 229 H CB 0.334 30.156 29.762 0.100 0.000 1.645 229 H HN 0.716 nan 8.280 nan 0.000 0.541 230 E N 1.067 121.329 120.200 0.102 0.000 2.204 230 E HA -0.072 4.279 4.350 0.001 0.000 0.194 230 E C 0.726 177.375 176.600 0.082 0.000 0.989 230 E CA 0.762 57.206 56.400 0.073 0.000 0.824 230 E CB 0.499 30.225 29.700 0.042 0.000 0.756 230 E HN 0.314 nan 8.360 nan 0.000 0.477 231 T N -0.585 114.032 114.554 0.104 0.000 2.841 231 T HA 0.290 4.640 4.350 0.001 0.000 0.296 231 T C -1.395 173.368 174.700 0.104 0.000 1.166 231 T CA -0.889 61.262 62.100 0.084 0.000 1.007 231 T CB 1.442 70.346 68.868 0.059 0.000 1.253 231 T HN -0.219 nan 8.240 nan 0.000 0.511 232 K N 0.912 121.355 120.400 0.072 0.000 2.326 232 K HA 0.584 4.905 4.320 0.001 0.000 0.275 232 K C 0.318 176.954 176.600 0.060 0.000 1.018 232 K CA -0.109 56.218 56.287 0.067 0.000 0.962 232 K CB 0.903 33.427 32.500 0.040 0.000 0.953 232 K HN 0.731 nan 8.250 nan 0.000 0.475 233 G N 0.138 108.975 108.800 0.061 0.000 2.749 233 G HA2 0.438 4.398 3.960 0.001 0.000 0.300 233 G HA3 0.438 4.398 3.960 0.001 0.000 0.300 233 G C -1.223 173.621 174.900 -0.092 0.000 1.352 233 G CA -0.296 44.808 45.100 0.006 0.000 0.789 233 G HN 0.504 nan 8.290 nan 0.000 0.509 234 T N -1.354 113.072 114.554 -0.213 0.000 2.645 234 T HA 0.540 4.890 4.350 0.001 0.000 0.273 234 T C -1.386 172.927 174.700 -0.644 0.000 0.960 234 T CA -0.611 61.262 62.100 -0.379 0.000 1.051 234 T CB 1.727 70.486 68.868 -0.181 0.000 1.366 234 T HN 0.564 nan 8.240 nan 0.000 0.536 235 N N 1.496 119.888 118.700 -0.513 0.000 2.626 235 N HA 0.399 5.139 4.740 0.001 0.000 0.242 235 N C -1.663 173.769 175.510 -0.130 0.000 1.005 235 N CA -0.205 52.627 53.050 -0.363 0.000 0.905 235 N CB 0.990 39.333 38.487 -0.241 0.000 1.128 235 N HN 0.399 nan 8.380 nan 0.000 0.512 236 S N 3.857 119.510 115.700 -0.078 0.000 2.383 236 S HA 0.499 4.969 4.470 0.001 0.000 0.196 236 S C -0.843 173.771 174.600 0.023 0.000 1.364 236 S CA -0.689 57.503 58.200 -0.014 0.000 1.212 236 S CB 0.009 63.202 63.200 -0.012 0.000 1.171 236 S HN 0.551 nan 8.310 nan 0.000 0.456 237 R N 1.330 121.855 120.500 0.043 0.000 2.892 237 R HA 0.597 4.938 4.340 0.001 0.000 0.265 237 R C -1.369 174.979 176.300 0.080 0.000 1.025 237 R CA -1.085 55.055 56.100 0.067 0.000 0.982 237 R CB 1.229 31.571 30.300 0.069 0.000 1.185 237 R HN 0.396 nan 8.270 nan 0.000 0.484 238 L N 2.323 123.602 121.223 0.094 0.000 2.255 238 L HA 0.249 4.589 4.340 0.001 0.000 0.289 238 L C -0.876 176.027 176.870 0.055 0.000 1.046 238 L CA -0.317 54.575 54.840 0.085 0.000 0.816 238 L CB 0.638 42.768 42.059 0.119 0.000 1.197 238 L HN 0.440 nan 8.230 nan 0.000 0.427 239 D N 4.024 124.450 120.400 0.043 0.000 2.506 239 D HA -0.059 4.581 4.640 0.001 0.000 0.234 239 D C 1.022 177.340 176.300 0.030 0.000 1.143 239 D CA 0.086 54.115 54.000 0.047 0.000 0.871 239 D CB 0.854 41.682 40.800 0.048 0.000 1.190 239 D HN 0.542 nan 8.370 nan 0.000 0.459 240 E N 1.363 121.600 120.200 0.063 0.000 2.070 240 E HA -0.226 4.124 4.350 0.001 0.000 0.197 240 E C 1.839 178.456 176.600 0.029 0.000 1.004 240 E CA 0.845 57.275 56.400 0.049 0.000 0.805 240 E CB -0.180 29.567 29.700 0.078 0.000 0.744 240 E HN 0.563 nan 8.360 nan 0.000 0.451 241 M N 0.554 120.191 119.600 0.062 0.000 2.106 241 M HA -0.249 4.231 4.480 0.001 0.000 0.259 241 M C 1.974 178.273 176.300 -0.001 0.000 1.068 241 M CA 1.571 56.899 55.300 0.047 0.000 1.100 241 M CB 0.125 32.758 32.600 0.054 0.000 1.351 241 M HN -0.046 nan 8.290 nan 0.000 0.404 242 Q N -0.442 119.337 119.800 -0.035 0.000 2.187 242 Q HA 0.022 4.362 4.340 0.001 0.000 0.199 242 Q C 2.151 177.990 176.000 -0.268 0.000 0.957 242 Q CA 1.559 57.292 55.803 -0.115 0.000 0.857 242 Q CB -0.555 28.128 28.738 -0.092 0.000 0.929 242 Q HN 0.677 nan 8.270 nan 0.000 0.453 243 A N 1.202 123.876 122.820 -0.244 0.000 1.930 243 A HA -0.005 4.316 4.320 0.001 0.000 0.217 243 A C 2.323 179.731 177.584 -0.292 0.000 1.175 243 A CA 1.605 53.412 52.037 -0.383 0.000 0.627 243 A CB -0.540 18.360 19.000 -0.168 0.000 0.815 243 A HN 0.330 nan 8.150 nan 0.000 0.443 244 A N -0.519 122.219 122.820 -0.137 0.000 1.933 244 A HA -0.004 4.317 4.320 0.001 0.000 0.218 244 A C 2.215 179.739 177.584 -0.099 0.000 1.175 244 A CA 1.786 53.780 52.037 -0.072 0.000 0.628 244 A CB -0.825 18.166 19.000 -0.015 0.000 0.814 244 A HN 0.357 nan 8.150 nan 0.000 0.444 245 V N -0.025 119.809 119.914 -0.134 0.000 2.307 245 V HA -0.231 3.889 4.120 0.001 0.000 0.245 245 V C 2.541 178.471 176.094 -0.274 0.000 1.045 245 V CA 1.912 64.130 62.300 -0.137 0.000 1.024 245 V CB -0.715 31.039 31.823 -0.115 0.000 0.651 245 V HN 0.575 nan 8.190 nan 0.000 0.449 246 L N -0.550 120.384 121.223 -0.481 0.000 2.131 246 L HA -0.176 4.164 4.340 0.001 0.000 0.210 246 L C 2.716 179.370 176.870 -0.359 0.000 1.092 246 L CA 1.539 55.967 54.840 -0.687 0.000 0.759 246 L CB -0.607 40.532 42.059 -1.533 0.000 0.903 246 L HN 0.244 nan 8.230 nan 0.000 0.435 247 R N -0.041 120.349 120.500 -0.183 0.000 2.096 247 R HA -0.140 4.201 4.340 0.001 0.000 0.235 247 R C 2.254 178.544 176.300 -0.017 0.000 1.127 247 R CA 1.374 57.503 56.100 0.050 0.000 0.968 247 R CB -0.393 29.948 30.300 0.069 0.000 0.861 247 R HN 0.334 nan 8.270 nan 0.000 0.440 248 I N 0.376 120.911 120.570 -0.059 0.000 2.133 248 I HA -0.247 3.924 4.170 0.001 0.000 0.238 248 I C 2.427 178.504 176.117 -0.066 0.000 1.074 248 I CA 1.081 62.364 61.300 -0.029 0.000 1.342 248 I CB -0.206 37.778 38.000 -0.026 0.000 1.053 248 I HN 0.066 nan 8.210 nan 0.000 0.404 249 R N 0.452 120.831 120.500 -0.202 0.000 2.117 249 R HA -0.207 4.134 4.340 0.001 0.000 0.243 249 R C 2.211 178.325 176.300 -0.309 0.000 1.143 249 R CA 1.334 57.221 56.100 -0.356 0.000 0.968 249 R CB -1.231 28.852 30.300 -0.361 0.000 0.863 249 R HN 0.305 nan 8.270 nan 0.000 0.444 250 L N 0.973 122.071 121.223 -0.208 0.000 2.079 250 L HA -0.070 4.270 4.340 0.001 0.000 0.210 250 L C 2.208 178.950 176.870 -0.214 0.000 1.081 250 L CA 1.987 56.696 54.840 -0.219 0.000 0.752 250 L CB -0.724 41.276 42.059 -0.100 0.000 0.896 250 L HN 0.158 nan 8.230 nan 0.000 0.433 251 A N -1.882 120.856 122.820 -0.137 0.000 2.070 251 A HA -0.188 4.132 4.320 0.001 0.000 0.220 251 A C 1.798 179.188 177.584 -0.323 0.000 1.159 251 A CA 1.625 53.557 52.037 -0.176 0.000 0.656 251 A CB -0.793 18.119 19.000 -0.147 0.000 0.800 251 A HN 0.746 nan 8.150 nan 0.000 0.453 252 H N -2.035 116.823 119.070 -0.353 0.000 2.672 252 H HA 0.160 4.716 4.556 0.001 0.000 0.277 252 H C 1.536 176.563 175.328 -0.501 0.000 1.074 252 H CA 0.152 55.922 56.048 -0.464 0.000 1.173 252 H CB 0.377 29.636 29.762 -0.839 0.000 1.558 252 H HN 0.423 nan 8.280 nan 0.000 0.539 253 L N 1.334 122.420 121.223 -0.229 0.000 2.017 253 L HA -0.140 4.201 4.340 0.001 0.000 0.208 253 L C 1.700 178.651 176.870 0.136 0.000 1.073 253 L CA 1.786 56.587 54.840 -0.065 0.000 0.745 253 L CB -0.222 41.765 42.059 -0.120 0.000 0.894 253 L HN 0.014 nan 8.230 nan 0.000 0.432 254 D N -0.806 119.689 120.400 0.158 0.000 2.123 254 D HA -0.193 4.448 4.640 0.001 0.000 0.196 254 D C 2.430 178.840 176.300 0.182 0.000 0.992 254 D CA 1.646 55.769 54.000 0.205 0.000 0.833 254 D CB -0.205 40.710 40.800 0.191 0.000 0.954 254 D HN 0.570 nan 8.370 nan 0.000 0.455 255 S N -0.384 115.410 115.700 0.157 0.000 2.368 255 S HA -0.164 4.307 4.470 0.001 0.000 0.224 255 S C 2.012 176.820 174.600 0.347 0.000 1.029 255 S CA 0.741 59.068 58.200 0.211 0.000 0.988 255 S CB -0.592 62.725 63.200 0.195 0.000 0.838 255 S HN 0.235 nan 8.310 nan 0.000 0.462 256 W N 2.532 123.877 121.300 0.076 0.000 2.358 256 W HA 0.170 4.830 4.660 0.001 0.000 0.303 256 W C 2.363 178.918 176.519 0.059 0.000 1.208 256 W CA 0.399 57.764 57.345 0.034 0.000 1.274 256 W CB -1.491 27.994 29.460 0.041 0.000 1.138 256 W HN 0.347 nan 8.180 nan 0.000 0.515 257 N N -0.284 118.623 118.700 0.345 0.000 2.120 257 N HA -0.120 4.621 4.740 0.001 0.000 0.188 257 N C 2.031 177.679 175.510 0.231 0.000 1.024 257 N CA 1.918 55.140 53.050 0.285 0.000 0.852 257 N CB -1.217 37.441 38.487 0.284 0.000 1.003 257 N HN 0.195 nan 8.380 nan 0.000 0.424 258 G N 1.018 109.938 108.800 0.200 0.000 2.469 258 G HA2 -0.284 3.676 3.960 0.001 0.000 0.220 258 G HA3 -0.284 3.676 3.960 0.001 0.000 0.220 258 G C 1.692 176.648 174.900 0.092 0.000 1.136 258 G CA 0.644 45.831 45.100 0.144 0.000 0.759 258 G HN 0.331 nan 8.290 nan 0.000 0.562 259 R N -0.154 120.388 120.500 0.071 0.000 2.092 259 R HA 0.047 4.388 4.340 0.001 0.000 0.231 259 R C 2.824 179.094 176.300 -0.050 0.000 1.119 259 R CA 1.024 57.108 56.100 -0.028 0.000 0.970 259 R CB -0.231 29.999 30.300 -0.116 0.000 0.864 259 R HN 0.295 nan 8.270 nan 0.000 0.440 260 R N -0.028 120.488 120.500 0.027 0.000 2.075 260 R HA -0.017 4.323 4.340 0.001 0.000 0.232 260 R C 2.442 178.733 176.300 -0.016 0.000 1.126 260 R CA 1.414 57.538 56.100 0.040 0.000 0.963 260 R CB -0.249 30.180 30.300 0.215 0.000 0.858 260 R HN 0.072 nan 8.270 nan 0.000 0.435 261 S N 0.870 116.632 115.700 0.104 0.000 2.365 261 S HA -0.231 4.239 4.470 0.001 0.000 0.225 261 S C 2.119 176.643 174.600 -0.126 0.000 1.039 261 S CA 1.497 59.743 58.200 0.077 0.000 1.033 261 S CB -0.321 63.014 63.200 0.226 0.000 0.887 261 S HN 0.516 nan 8.310 nan 0.000 0.447 262 A N 1.223 123.986 122.820 -0.094 0.000 1.883 262 A HA -0.100 4.221 4.320 0.001 0.000 0.217 262 A C 2.156 179.582 177.584 -0.263 0.000 1.186 262 A CA 1.474 53.427 52.037 -0.140 0.000 0.624 262 A CB -0.841 18.095 19.000 -0.108 0.000 0.822 262 A HN 0.470 nan 8.150 nan 0.000 0.444 263 L N -0.870 120.157 121.223 -0.327 0.000 2.017 263 L HA -0.222 4.118 4.340 0.001 0.000 0.208 263 L C 3.138 179.579 176.870 -0.716 0.000 1.073 263 L CA 1.181 55.704 54.840 -0.527 0.000 0.745 263 L CB -0.590 41.191 42.059 -0.463 0.000 0.894 263 L HN 0.448 nan 8.230 nan 0.000 0.432 264 A N -0.032 122.401 122.820 -0.645 0.000 1.908 264 A HA -0.229 4.092 4.320 0.001 0.000 0.218 264 A C 2.540 179.833 177.584 -0.485 0.000 1.181 264 A CA 1.892 53.458 52.037 -0.785 0.000 0.627 264 A CB -0.813 17.179 19.000 -1.681 0.000 0.818 264 A HN 0.427 nan 8.150 nan 0.000 0.445 265 A N -0.302 122.304 122.820 -0.356 0.000 1.873 265 A HA -0.241 4.080 4.320 0.001 0.000 0.218 265 A C 1.917 179.395 177.584 -0.177 0.000 1.193 265 A CA 2.084 54.018 52.037 -0.172 0.000 0.629 265 A CB -0.722 18.206 19.000 -0.121 0.000 0.826 265 A HN 0.594 nan 8.150 nan 0.000 0.447 266 E N -1.312 118.719 120.200 -0.282 0.000 2.033 266 E HA -0.221 4.129 4.350 0.001 0.000 0.199 266 E C 1.884 178.341 176.600 -0.239 0.000 1.011 266 E CA 1.854 58.087 56.400 -0.278 0.000 0.815 266 E CB -0.423 29.049 29.700 -0.381 0.000 0.755 266 E HN 0.664 nan 8.360 nan 0.000 0.451 267 Y N 0.649 120.713 120.300 -0.394 0.000 2.002 267 Y HA -0.318 4.232 4.550 0.001 0.000 0.268 267 Y C 2.271 178.076 175.900 -0.158 0.000 1.177 267 Y CA 1.476 59.299 58.100 -0.461 0.000 1.111 267 Y CB -1.141 36.534 38.460 -1.309 0.000 0.952 267 Y HN 0.068 nan 8.280 nan 0.000 0.491 268 L N -0.496 120.796 121.223 0.116 0.000 2.010 268 L HA -0.363 3.978 4.340 0.001 0.000 0.219 268 L C 2.702 179.642 176.870 0.118 0.000 1.077 268 L CA 2.180 57.134 54.840 0.190 0.000 0.773 268 L CB -1.057 41.112 42.059 0.183 0.000 0.892 268 L HN 0.363 nan 8.230 nan 0.000 0.436 269 S N -0.050 115.684 115.700 0.056 0.000 2.345 269 S HA -0.109 4.362 4.470 0.001 0.000 0.220 269 S C 2.112 176.741 174.600 0.048 0.000 1.031 269 S CA 1.083 59.309 58.200 0.043 0.000 0.996 269 S CB -0.865 62.342 63.200 0.011 0.000 0.882 269 S HN 0.426 nan 8.310 nan 0.000 0.445 270 G N 1.511 110.333 108.800 0.037 0.000 2.442 270 G HA2 -0.025 3.935 3.960 0.001 0.000 0.219 270 G HA3 -0.025 3.935 3.960 0.001 0.000 0.219 270 G C 1.400 176.347 174.900 0.078 0.000 1.141 270 G CA 0.921 46.050 45.100 0.048 0.000 0.763 270 G HN 0.554 nan 8.290 nan 0.000 0.554 271 L N 0.933 122.220 121.223 0.108 0.000 2.591 271 L HA 0.331 4.671 4.340 0.001 0.000 0.228 271 L C 1.645 178.583 176.870 0.113 0.000 1.133 271 L CA -0.424 54.488 54.840 0.121 0.000 0.880 271 L CB -0.195 41.953 42.059 0.149 0.000 1.033 271 L HN 0.185 nan 8.230 nan 0.000 0.450 272 A N 0.324 123.203 122.820 0.099 0.000 2.520 272 A HA 0.427 4.747 4.320 0.001 0.000 0.245 272 A C 1.280 178.908 177.584 0.072 0.000 1.072 272 A CA 0.860 52.950 52.037 0.087 0.000 0.761 272 A CB -0.058 18.987 19.000 0.074 0.000 1.004 272 A HN 0.527 nan 8.150 nan 0.000 0.499 273 G N 1.471 110.312 108.800 0.069 0.000 3.642 273 G HA2 -0.214 3.747 3.960 0.001 0.000 0.205 273 G HA3 -0.214 3.747 3.960 0.001 0.000 0.205 273 G C 0.377 175.312 174.900 0.058 0.000 1.526 273 G CA -0.270 44.864 45.100 0.056 0.000 1.097 273 G HN 1.388 nan 8.290 nan 0.000 0.596 274 L N 3.229 124.492 121.223 0.068 0.000 3.152 274 L HA 0.023 4.364 4.340 0.001 0.000 0.321 274 L C -1.835 175.076 176.870 0.069 0.000 0.979 274 L CA -0.206 54.679 54.840 0.075 0.000 0.936 274 L CB -0.786 41.338 42.059 0.107 0.000 1.465 274 L HN 0.226 nan 8.230 nan 0.000 0.505 275 P HA 0.112 nan 4.420 nan 0.000 0.271 275 P C 1.028 178.357 177.300 0.048 0.000 1.216 275 P CA 0.722 63.843 63.100 0.035 0.000 0.771 275 P CB 1.319 33.026 31.700 0.012 0.000 0.864 276 G N 1.978 110.810 108.800 0.054 0.000 2.225 276 G HA2 -0.241 3.720 3.960 0.001 0.000 0.254 276 G HA3 -0.241 3.720 3.960 0.001 0.000 0.254 276 G C -0.041 174.931 174.900 0.119 0.000 0.988 276 G CA -0.312 44.835 45.100 0.078 0.000 0.625 276 G HN 0.472 nan 8.290 nan 0.000 0.527 277 I N 2.505 123.145 120.570 0.115 0.000 2.337 277 I HA 0.575 4.745 4.170 0.001 0.000 0.285 277 I C 0.972 177.137 176.117 0.081 0.000 1.041 277 I CA -0.875 60.495 61.300 0.117 0.000 1.199 277 I CB 1.109 39.198 38.000 0.149 0.000 1.370 277 I HN 0.243 nan 8.210 nan 0.000 0.470 278 G N 6.770 115.603 108.800 0.054 0.000 2.355 278 G HA2 0.524 4.484 3.960 0.001 0.000 0.276 278 G HA3 0.524 4.484 3.960 0.001 0.000 0.276 278 G C -0.554 174.365 174.900 0.031 0.000 1.198 278 G CA -0.222 44.897 45.100 0.031 0.000 0.876 278 G HN 0.306 nan 8.290 nan 0.000 0.478 279 L N 3.370 124.624 121.223 0.051 0.000 2.334 279 L HA 0.518 4.859 4.340 0.001 0.000 0.270 279 L C -1.809 175.086 176.870 0.042 0.000 1.018 279 L CA -1.892 52.982 54.840 0.057 0.000 0.811 279 L CB 1.508 43.650 42.059 0.137 0.000 1.271 279 L HN 0.330 nan 8.230 nan 0.000 0.443 280 P HA 0.213 nan 4.420 nan 0.000 0.275 280 P C -1.115 176.294 177.300 0.181 0.000 1.227 280 P CA -0.280 62.859 63.100 0.064 0.000 0.781 280 P CB 0.700 32.456 31.700 0.093 0.000 0.906 281 V N 3.064 123.072 119.914 0.158 0.000 2.328 281 V HA 0.199 4.319 4.120 0.001 0.000 0.278 281 V C 0.517 176.773 176.094 0.270 0.000 1.021 281 V CA -0.322 62.100 62.300 0.204 0.000 0.838 281 V CB 1.061 32.985 31.823 0.168 0.000 0.999 281 V HN 0.533 nan 8.190 nan 0.000 0.447 282 T N 4.957 119.700 114.554 0.316 0.000 2.832 282 T HA 0.496 4.847 4.350 0.001 0.000 0.296 282 T C 0.528 175.345 174.700 0.195 0.000 0.968 282 T CA 0.009 62.317 62.100 0.348 0.000 1.107 282 T CB 1.128 70.236 68.868 0.400 0.000 0.916 282 T HN 0.912 nan 8.240 nan 0.000 0.517 283 A N 6.061 128.951 122.820 0.117 0.000 2.388 283 A HA 0.556 4.877 4.320 0.001 0.000 0.257 283 A C -2.028 175.544 177.584 -0.020 0.000 1.095 283 A CA -1.502 50.481 52.037 -0.090 0.000 0.791 283 A CB -0.213 18.520 19.000 -0.445 0.000 1.029 283 A HN 0.542 nan 8.150 nan 0.000 0.489 284 P HA 0.155 nan 4.420 nan 0.000 0.269 284 P C -0.677 176.576 177.300 -0.080 0.000 1.209 284 P CA 0.354 63.432 63.100 -0.037 0.000 0.776 284 P CB 0.375 32.049 31.700 -0.043 0.000 0.876 285 D N -1.909 118.436 120.400 -0.091 0.000 3.090 285 D HA -0.108 4.533 4.640 0.001 0.000 0.215 285 D C 0.044 176.235 176.300 -0.181 0.000 1.140 285 D CA 1.612 55.504 54.000 -0.180 0.000 0.937 285 D CB -2.178 38.436 40.800 -0.311 0.000 1.108 285 D HN 0.653 nan 8.370 nan 0.000 0.420 286 T N -2.698 111.820 114.554 -0.059 0.000 2.900 286 T HA 0.573 4.924 4.350 0.001 0.000 0.295 286 T C -0.902 173.809 174.700 0.018 0.000 1.044 286 T CA -0.883 61.216 62.100 -0.002 0.000 0.995 286 T CB 2.981 71.897 68.868 0.079 0.000 1.072 286 T HN -0.183 nan 8.240 nan 0.000 0.473 287 D N 3.731 124.138 120.400 0.013 0.000 2.438 287 D HA 0.349 4.989 4.640 0.001 0.000 0.257 287 D C -2.506 173.785 176.300 -0.015 0.000 1.148 287 D CA -1.158 52.858 54.000 0.026 0.000 0.902 287 D CB 1.745 42.564 40.800 0.032 0.000 1.062 287 D HN 0.375 nan 8.370 nan 0.000 0.518 288 P HA 0.036 nan 4.420 nan 0.000 0.274 288 P C 1.010 178.180 177.300 -0.216 0.000 1.237 288 P CA -0.445 62.434 63.100 -0.369 0.000 0.793 288 P CB 1.231 32.333 31.700 -0.997 0.000 0.977 289 V N -3.798 116.005 119.914 -0.186 0.000 3.528 289 V HA 0.282 4.403 4.120 0.001 0.000 0.294 289 V C -0.157 176.099 176.094 0.270 0.000 1.404 289 V CA -0.562 61.809 62.300 0.118 0.000 1.065 289 V CB -1.824 30.131 31.823 0.220 0.000 0.904 289 V HN 0.559 nan 8.190 nan 0.000 0.435 290 W N 1.161 122.537 121.300 0.127 0.000 6.562 290 W HA -0.264 4.397 4.660 0.001 0.000 0.418 290 W C 1.574 178.223 176.519 0.216 0.000 1.645 290 W CA 1.069 58.525 57.345 0.186 0.000 1.086 290 W CB -2.487 27.093 29.460 0.202 0.000 2.865 290 W HN 0.682 nan 8.180 nan 0.000 1.517 291 H N 0.064 119.312 119.070 0.295 0.000 2.387 291 H HA 0.086 4.643 4.556 0.001 0.000 0.299 291 H C 0.769 176.243 175.328 0.243 0.000 1.090 291 H CA 2.283 58.487 56.048 0.261 0.000 1.332 291 H CB 0.195 30.102 29.762 0.241 0.000 1.386 291 H HN 0.296 nan 8.280 nan 0.000 0.516 292 L N 0.110 121.396 121.223 0.105 0.000 2.408 292 L HA 0.224 4.565 4.340 0.001 0.000 0.268 292 L C -1.414 175.610 176.870 0.256 0.000 0.986 292 L CA -0.988 53.865 54.840 0.021 0.000 0.820 292 L CB 2.402 44.376 42.059 -0.143 0.000 1.303 292 L HN 0.084 nan 8.230 nan 0.000 0.411 293 F N 2.845 122.865 119.950 0.118 0.000 2.332 293 F HA 0.464 4.992 4.527 0.001 0.000 0.368 293 F C 0.367 176.171 175.800 0.007 0.000 1.110 293 F CA -0.380 57.734 58.000 0.191 0.000 1.087 293 F CB 1.096 40.176 39.000 0.133 0.000 1.235 293 F HN 0.442 nan 8.300 nan 0.000 0.470 294 T N 4.134 118.457 114.554 -0.384 0.000 2.855 294 T HA 0.735 5.086 4.350 0.001 0.000 0.281 294 T C -0.468 174.062 174.700 -0.282 0.000 1.007 294 T CA -0.599 61.313 62.100 -0.313 0.000 1.009 294 T CB 1.440 70.004 68.868 -0.508 0.000 0.983 294 T HN 0.571 nan 8.240 nan 0.000 0.455 295 V N 0.641 120.491 119.914 -0.107 0.000 3.046 295 V HA 0.836 4.957 4.120 0.001 0.000 0.316 295 V C -0.547 175.539 176.094 -0.013 0.000 1.104 295 V CA -1.465 60.806 62.300 -0.047 0.000 1.006 295 V CB 1.779 33.609 31.823 0.011 0.000 1.058 295 V HN 1.056 nan 8.190 nan 0.000 0.440 296 R N 0.502 120.999 120.500 -0.006 0.000 2.750 296 R HA 0.891 5.231 4.340 0.001 0.000 0.281 296 R C -1.180 175.127 176.300 0.012 0.000 0.972 296 R CA -0.398 55.696 56.100 -0.010 0.000 0.912 296 R CB 2.595 32.856 30.300 -0.066 0.000 1.187 296 R HN 1.066 nan 8.270 nan 0.000 0.464 297 T N 0.653 115.219 114.554 0.020 0.000 2.827 297 T HA 0.100 4.450 4.350 0.001 0.000 0.328 297 T C -1.692 173.049 174.700 0.067 0.000 1.598 297 T CA -1.058 61.083 62.100 0.069 0.000 1.043 297 T CB 1.718 70.656 68.868 0.116 0.000 1.447 297 T HN 0.678 nan 8.240 nan 0.000 0.491 298 E N 1.820 122.078 120.200 0.097 0.000 2.174 298 E HA 0.648 4.999 4.350 0.001 0.000 0.282 298 E C 0.185 176.878 176.600 0.155 0.000 0.992 298 E CA -0.997 55.455 56.400 0.087 0.000 0.803 298 E CB 1.466 31.199 29.700 0.056 0.000 1.090 298 E HN 0.799 nan 8.360 nan 0.000 0.396 299 R N 2.446 123.030 120.500 0.140 0.000 3.397 299 R HA -0.138 4.202 4.340 0.001 0.000 0.361 299 R C 0.510 176.890 176.300 0.134 0.000 1.083 299 R CA 0.598 56.821 56.100 0.206 0.000 0.849 299 R CB -1.265 29.229 30.300 0.322 0.000 1.612 299 R HN 0.750 nan 8.270 nan 0.000 0.474 300 R N 1.172 121.691 120.500 0.032 0.000 2.094 300 R HA -0.174 4.166 4.340 0.001 0.000 0.239 300 R C 0.504 176.744 176.300 -0.101 0.000 1.137 300 R CA 2.467 58.527 56.100 -0.067 0.000 0.943 300 R CB -0.277 30.004 30.300 -0.031 0.000 0.850 300 R HN 0.402 nan 8.270 nan 0.000 0.433 301 D N 0.397 120.778 120.400 -0.032 0.000 2.104 301 D HA -0.164 4.476 4.640 0.001 0.000 0.194 301 D C 1.931 178.214 176.300 -0.027 0.000 0.994 301 D CA 1.640 55.624 54.000 -0.026 0.000 0.830 301 D CB -0.234 40.571 40.800 0.008 0.000 0.959 301 D HN 0.448 nan 8.370 nan 0.000 0.452 302 E N -0.187 120.035 120.200 0.036 0.000 2.118 302 E HA -0.162 4.189 4.350 0.001 0.000 0.195 302 E C 1.990 178.551 176.600 -0.066 0.000 0.992 302 E CA 0.392 56.865 56.400 0.123 0.000 0.804 302 E CB -0.108 29.788 29.700 0.326 0.000 0.741 302 E HN 0.138 nan 8.360 nan 0.000 0.458 303 L N 1.612 122.560 121.223 -0.459 0.000 2.046 303 L HA -0.166 4.174 4.340 0.001 0.000 0.208 303 L C 2.357 178.911 176.870 -0.526 0.000 1.077 303 L CA 1.802 55.952 54.840 -1.150 0.000 0.747 303 L CB -0.417 40.823 42.059 -1.365 0.000 0.896 303 L HN -0.026 nan 8.230 nan 0.000 0.432 304 R N -0.335 119.994 120.500 -0.284 0.000 2.070 304 R HA -0.166 4.175 4.340 0.001 0.000 0.233 304 R C 2.312 178.551 176.300 -0.102 0.000 1.137 304 R CA 1.945 57.946 56.100 -0.166 0.000 0.945 304 R CB -0.723 29.504 30.300 -0.121 0.000 0.845 304 R HN 0.628 nan 8.270 nan 0.000 0.430 305 S N 0.363 116.031 115.700 -0.053 0.000 2.380 305 S HA -0.334 4.136 4.470 0.001 0.000 0.229 305 S C 1.973 176.593 174.600 0.033 0.000 1.050 305 S CA 1.727 59.932 58.200 0.008 0.000 1.100 305 S CB -1.209 62.024 63.200 0.055 0.000 0.984 305 S HN 0.704 nan 8.310 nan 0.000 0.434 306 H N 2.019 121.066 119.070 -0.037 0.000 2.321 306 H HA -0.047 4.509 4.556 0.001 0.000 0.295 306 H C 1.983 177.303 175.328 -0.013 0.000 1.102 306 H CA 2.250 58.308 56.048 0.017 0.000 1.266 306 H CB -0.689 29.109 29.762 0.060 0.000 1.363 306 H HN 0.395 nan 8.280 nan 0.000 0.492 307 L N -0.332 120.784 121.223 -0.179 0.000 2.046 307 L HA -0.163 4.177 4.340 0.001 0.000 0.208 307 L C 2.390 179.177 176.870 -0.138 0.000 1.077 307 L CA 1.708 56.429 54.840 -0.198 0.000 0.747 307 L CB -0.553 41.426 42.059 -0.132 0.000 0.896 307 L HN 0.388 nan 8.230 nan 0.000 0.432 308 D N 0.231 120.577 120.400 -0.091 0.000 2.104 308 D HA -0.187 4.454 4.640 0.001 0.000 0.194 308 D C 2.111 178.378 176.300 -0.056 0.000 0.994 308 D CA 1.589 55.555 54.000 -0.056 0.000 0.830 308 D CB 0.175 40.953 40.800 -0.036 0.000 0.959 308 D HN 0.236 nan 8.370 nan 0.000 0.452 309 A N 0.501 123.285 122.820 -0.059 0.000 1.972 309 A HA -0.129 4.191 4.320 0.001 0.000 0.219 309 A C 2.129 179.667 177.584 -0.076 0.000 1.169 309 A CA 1.007 53.018 52.037 -0.044 0.000 0.635 309 A CB -0.411 18.589 19.000 0.001 0.000 0.810 309 A HN 0.175 nan 8.150 nan 0.000 0.446 310 R N -0.750 119.658 120.500 -0.153 0.000 2.328 310 R HA 0.093 4.433 4.340 0.001 0.000 0.200 310 R C 0.940 177.193 176.300 -0.077 0.000 0.983 310 R CA 0.614 56.630 56.100 -0.141 0.000 1.062 310 R CB -0.637 29.523 30.300 -0.233 0.000 0.956 310 R HN 0.743 nan 8.270 nan 0.000 0.479 311 G N 1.871 110.638 108.800 -0.056 0.000 2.289 311 G HA2 -0.255 3.705 3.960 0.001 0.000 0.280 311 G HA3 -0.255 3.705 3.960 0.001 0.000 0.280 311 G C -0.072 174.816 174.900 -0.021 0.000 1.089 311 G CA -0.130 44.953 45.100 -0.029 0.000 0.939 311 G HN 0.323 nan 8.290 nan 0.000 0.499 312 I N 0.913 121.467 120.570 -0.026 0.000 2.466 312 I HA 0.221 4.392 4.170 0.001 0.000 0.279 312 I C -0.582 175.547 176.117 0.021 0.000 1.033 312 I CA -0.982 60.316 61.300 -0.002 0.000 1.123 312 I CB 1.262 39.251 38.000 -0.019 0.000 1.237 312 I HN -0.041 nan 8.210 nan 0.000 0.460 313 D N 4.667 125.104 120.400 0.063 0.000 2.414 313 D HA 0.317 4.957 4.640 0.001 0.000 0.242 313 D C 0.385 176.786 176.300 0.169 0.000 1.129 313 D CA 0.543 54.598 54.000 0.092 0.000 0.885 313 D CB 1.278 42.155 40.800 0.128 0.000 1.198 313 D HN 0.592 nan 8.370 nan 0.000 0.437 314 T N -1.325 113.259 114.554 0.049 0.000 2.787 314 T HA 0.792 5.143 4.350 0.001 0.000 0.297 314 T C -0.720 173.770 174.700 -0.351 0.000 1.221 314 T CA -0.841 61.253 62.100 -0.009 0.000 1.006 314 T CB 1.005 69.870 68.868 -0.004 0.000 1.328 314 T HN 0.218 nan 8.240 nan 0.000 0.509 315 L N -0.338 120.593 121.223 -0.485 0.000 2.568 315 L HA 0.727 5.067 4.340 0.001 0.000 0.257 315 L C -0.747 175.878 176.870 -0.408 0.000 1.024 315 L CA -0.886 53.611 54.840 -0.571 0.000 0.854 315 L CB 2.756 44.279 42.059 -0.892 0.000 1.460 315 L HN 0.867 nan 8.230 nan 0.000 0.409 316 T N -0.910 113.344 114.554 -0.500 0.000 2.809 316 T HA 0.464 4.815 4.350 0.001 0.000 0.284 316 T C -1.131 173.208 174.700 -0.601 0.000 0.992 316 T CA -0.508 61.376 62.100 -0.358 0.000 0.957 316 T CB 0.557 69.318 68.868 -0.179 0.000 0.942 316 T HN 0.412 nan 8.240 nan 0.000 0.439 317 H N 2.539 121.416 119.070 -0.322 0.000 2.697 317 H HA 0.479 5.035 4.556 0.001 0.000 0.270 317 H C -1.040 174.089 175.328 -0.331 0.000 1.188 317 H CA -0.307 55.263 56.048 -0.797 0.000 1.322 317 H CB 0.294 29.587 29.762 -0.782 0.000 1.405 317 H HN 0.539 nan 8.280 nan 0.000 0.502 318 Y N 1.677 122.105 120.300 0.212 0.000 2.598 318 Y HA 0.248 4.798 4.550 0.001 0.000 0.340 318 Y C -1.531 174.402 175.900 0.056 0.000 1.038 318 Y CA -2.616 55.539 58.100 0.092 0.000 1.100 318 Y CB 1.252 39.764 38.460 0.087 0.000 1.281 318 Y HN 0.369 nan 8.280 nan 0.000 0.488 319 P HA -0.097 nan 4.420 nan 0.000 0.214 319 P C -0.372 176.970 177.300 0.070 0.000 1.163 319 P CA 1.354 64.496 63.100 0.070 0.000 0.883 319 P CB 0.352 32.069 31.700 0.027 0.000 0.788 320 V N 0.583 120.530 119.914 0.056 0.000 2.680 320 V HA 0.368 4.488 4.120 0.001 0.000 0.309 320 V C -2.453 173.629 176.094 -0.021 0.000 1.052 320 V CA -2.151 60.146 62.300 -0.006 0.000 0.908 320 V CB 1.660 33.447 31.823 -0.059 0.000 1.001 320 V HN -0.072 nan 8.190 nan 0.000 0.431 321 P HA 0.244 nan 4.420 nan 0.000 0.280 321 P C 1.048 178.208 177.300 -0.232 0.000 1.244 321 P CA -0.111 62.969 63.100 -0.034 0.000 0.784 321 P CB 1.181 32.940 31.700 0.099 0.000 0.913 322 V N 2.734 122.458 119.914 -0.316 0.000 2.277 322 V HA -0.338 3.783 4.120 0.001 0.000 0.255 322 V C 2.497 178.217 176.094 -0.624 0.000 1.074 322 V CA 2.575 64.462 62.300 -0.689 0.000 1.058 322 V CB -1.800 29.157 31.823 -1.442 0.000 0.656 322 V HN 0.768 nan 8.190 nan 0.000 0.449 323 H N 0.327 119.122 119.070 -0.458 0.000 2.457 323 H HA -0.113 4.444 4.556 0.001 0.000 0.297 323 H C 1.702 176.993 175.328 -0.062 0.000 1.092 323 H CA 1.659 57.615 56.048 -0.154 0.000 1.309 323 H CB -0.573 29.240 29.762 0.085 0.000 1.382 323 H HN 0.467 nan 8.280 nan 0.000 0.535 324 L N 2.308 123.172 121.223 -0.599 0.000 2.653 324 L HA 0.140 4.480 4.340 0.001 0.000 0.231 324 L C 0.543 177.282 176.870 -0.219 0.000 1.153 324 L CA -0.143 54.462 54.840 -0.391 0.000 0.933 324 L CB 0.083 41.868 42.059 -0.457 0.000 1.175 324 L HN 0.153 nan 8.230 nan 0.000 0.473 325 S N -1.260 114.323 115.700 -0.196 0.000 2.537 325 S HA 0.309 4.780 4.470 0.001 0.000 0.275 325 S C -1.717 172.827 174.600 -0.094 0.000 1.272 325 S CA -1.274 56.839 58.200 -0.145 0.000 1.050 325 S CB 1.314 64.414 63.200 -0.167 0.000 0.961 325 S HN -0.119 nan 8.310 nan 0.000 0.496 326 P HA -0.149 nan 4.420 nan 0.000 0.216 326 P C 1.629 178.872 177.300 -0.095 0.000 1.150 326 P CA 1.926 64.981 63.100 -0.074 0.000 0.843 326 P CB -0.268 31.390 31.700 -0.070 0.000 0.787 327 A N -1.744 120.993 122.820 -0.138 0.000 1.927 327 A HA -0.238 4.082 4.320 0.001 0.000 0.220 327 A C 1.981 179.364 177.584 -0.335 0.000 1.185 327 A CA 1.920 53.813 52.037 -0.240 0.000 0.639 327 A CB -1.668 17.161 19.000 -0.286 0.000 0.820 327 A HN 0.249 nan 8.150 nan 0.000 0.451 328 Y N -2.354 117.882 120.300 -0.108 0.000 2.535 328 Y HA 0.341 4.892 4.550 0.001 0.000 0.264 328 Y C 2.598 178.492 175.900 -0.009 0.000 1.087 328 Y CA 0.142 58.216 58.100 -0.044 0.000 1.285 328 Y CB -0.067 38.342 38.460 -0.085 0.000 1.200 328 Y HN 0.296 nan 8.280 nan 0.000 0.514 329 A N 0.748 123.625 122.820 0.094 0.000 1.968 329 A HA -0.380 3.940 4.320 0.001 0.000 0.227 329 A C 2.399 180.032 177.584 0.081 0.000 1.381 329 A CA 2.466 54.539 52.037 0.060 0.000 0.697 329 A CB -1.646 17.353 19.000 -0.001 0.000 0.836 329 A HN 0.528 nan 8.150 nan 0.000 0.497 330 G N -1.125 107.712 108.800 0.062 0.000 2.559 330 G HA2 0.015 3.976 3.960 0.001 0.000 0.216 330 G HA3 0.015 3.976 3.960 0.001 0.000 0.216 330 G C 1.086 176.039 174.900 0.088 0.000 1.126 330 G CA 1.119 46.253 45.100 0.057 0.000 0.778 330 G HN 0.824 nan 8.290 nan 0.000 0.543 331 E N -0.821 119.467 120.200 0.147 0.000 2.606 331 E HA 0.504 4.854 4.350 0.001 0.000 0.224 331 E C 1.058 177.775 176.600 0.194 0.000 0.930 331 E CA 0.001 56.500 56.400 0.164 0.000 1.125 331 E CB 0.721 30.538 29.700 0.195 0.000 1.123 331 E HN 0.274 nan 8.360 nan 0.000 0.522 332 A N 2.364 125.328 122.820 0.239 0.000 2.242 332 A HA 0.530 4.850 4.320 0.001 0.000 0.304 332 A C -2.349 175.350 177.584 0.190 0.000 1.100 332 A CA -1.497 50.699 52.037 0.264 0.000 0.860 332 A CB -0.209 19.029 19.000 0.397 0.000 1.168 332 A HN -0.128 nan 8.150 nan 0.000 0.503 333 P HA 0.197 nan 4.420 nan 0.000 0.265 333 P C -2.419 174.979 177.300 0.164 0.000 1.193 333 P CA -0.565 62.598 63.100 0.106 0.000 0.765 333 P CB -0.392 31.320 31.700 0.020 0.000 0.823 334 P HA -0.019 nan 4.420 nan 0.000 0.269 334 P C 0.129 177.527 177.300 0.163 0.000 1.217 334 P CA 0.129 63.300 63.100 0.119 0.000 0.783 334 P CB 0.491 32.233 31.700 0.070 0.000 0.898 335 E N 0.106 120.396 120.200 0.149 0.000 2.442 335 E HA 0.161 4.511 4.350 0.001 0.000 0.262 335 E C 1.198 177.867 176.600 0.115 0.000 1.004 335 E CA 1.213 57.711 56.400 0.163 0.000 0.928 335 E CB -0.257 29.497 29.700 0.091 0.000 0.937 335 E HN 0.778 nan 8.360 nan 0.000 0.446 336 G N 2.424 111.298 108.800 0.123 0.000 2.308 336 G HA2 -0.322 3.638 3.960 0.001 0.000 0.221 336 G HA3 -0.322 3.638 3.960 0.001 0.000 0.221 336 G C 0.982 175.906 174.900 0.039 0.000 1.032 336 G CA 0.403 45.545 45.100 0.069 0.000 0.623 336 G HN 0.562 nan 8.290 nan 0.000 0.506 337 S N 0.031 115.746 115.700 0.026 0.000 2.481 337 S HA 0.345 4.815 4.470 0.001 0.000 0.231 337 S C 1.071 175.628 174.600 -0.071 0.000 0.996 337 S CA 0.937 59.126 58.200 -0.019 0.000 0.942 337 S CB 0.166 63.357 63.200 -0.016 0.000 0.768 337 S HN 0.496 nan 8.310 nan 0.000 0.520 338 L N 1.616 122.771 121.223 -0.114 0.000 2.783 338 L HA 0.293 4.634 4.340 0.001 0.000 0.265 338 L C -2.040 174.824 176.870 -0.009 0.000 1.398 338 L CA -1.799 52.947 54.840 -0.156 0.000 0.802 338 L CB 1.366 43.133 42.059 -0.487 0.000 1.126 338 L HN -0.017 nan 8.230 nan 0.000 0.529 339 P HA -0.233 nan 4.420 nan 0.000 0.216 339 P C 1.514 178.848 177.300 0.057 0.000 1.157 339 P CA 1.512 64.638 63.100 0.044 0.000 0.880 339 P CB 0.254 31.963 31.700 0.015 0.000 0.791 340 R N -0.417 120.112 120.500 0.048 0.000 2.103 340 R HA -0.140 4.200 4.340 0.001 0.000 0.234 340 R C 2.527 178.931 176.300 0.173 0.000 1.132 340 R CA 2.127 58.266 56.100 0.064 0.000 0.925 340 R CB -1.243 29.099 30.300 0.071 0.000 0.842 340 R HN 0.145 nan 8.270 nan 0.000 0.430 341 A N 1.565 124.519 122.820 0.224 0.000 1.883 341 A HA -0.243 4.077 4.320 0.001 0.000 0.217 341 A C 2.007 179.787 177.584 0.328 0.000 1.186 341 A CA 1.965 54.200 52.037 0.331 0.000 0.624 341 A CB -0.665 18.530 19.000 0.326 0.000 0.822 341 A HN 0.620 nan 8.150 nan 0.000 0.444 342 E N -0.501 119.866 120.200 0.279 0.000 2.085 342 E HA -0.194 4.156 4.350 0.001 0.000 0.194 342 E C 2.090 178.786 176.600 0.159 0.000 0.994 342 E CA 1.549 58.087 56.400 0.230 0.000 0.801 342 E CB -0.559 29.280 29.700 0.231 0.000 0.743 342 E HN 0.499 nan 8.360 nan 0.000 0.453 343 S N -0.243 115.525 115.700 0.114 0.000 2.402 343 S HA -0.102 4.368 4.470 0.001 0.000 0.229 343 S C 1.646 176.284 174.600 0.062 0.000 1.021 343 S CA 0.477 58.705 58.200 0.047 0.000 0.974 343 S CB -0.469 62.712 63.200 -0.031 0.000 0.800 343 S HN 0.403 nan 8.310 nan 0.000 0.484 344 F N 1.712 121.661 119.950 -0.003 0.000 2.102 344 F HA -0.029 4.498 4.527 0.001 0.000 0.298 344 F C 2.622 178.463 175.800 0.067 0.000 1.105 344 F CA 0.974 58.957 58.000 -0.028 0.000 1.239 344 F CB -0.427 38.444 39.000 -0.215 0.000 0.991 344 F HN 0.327 nan 8.300 nan 0.000 0.474 345 A N 0.151 123.177 122.820 0.344 0.000 1.940 345 A HA -0.224 4.096 4.320 0.001 0.000 0.219 345 A C 2.114 179.787 177.584 0.148 0.000 1.176 345 A CA 1.722 53.900 52.037 0.235 0.000 0.631 345 A CB -0.622 18.487 19.000 0.182 0.000 0.814 345 A HN 0.383 nan 8.150 nan 0.000 0.446 346 R N -1.207 119.364 120.500 0.119 0.000 2.153 346 R HA 0.002 4.342 4.340 0.001 0.000 0.218 346 R C 1.825 178.159 176.300 0.057 0.000 1.072 346 R CA 1.340 57.482 56.100 0.071 0.000 0.990 346 R CB -0.066 30.266 30.300 0.054 0.000 0.889 346 R HN 0.662 nan 8.270 nan 0.000 0.452 347 Q N -0.479 119.359 119.800 0.064 0.000 2.316 347 Q HA 0.169 4.509 4.340 0.001 0.000 0.235 347 Q C -0.026 176.002 176.000 0.047 0.000 0.863 347 Q CA -0.174 55.651 55.803 0.036 0.000 0.939 347 Q CB 1.305 30.040 28.738 -0.005 0.000 1.108 347 Q HN -0.006 nan 8.270 nan 0.000 0.522 348 V N 1.675 121.660 119.914 0.117 0.000 2.715 348 V HA 0.157 4.277 4.120 0.001 0.000 0.299 348 V C -0.820 175.299 176.094 0.042 0.000 1.054 348 V CA 0.096 62.476 62.300 0.132 0.000 1.077 348 V CB 1.054 33.061 31.823 0.306 0.000 0.972 348 V HN 0.117 nan 8.190 nan 0.000 0.484 349 L N 5.384 126.611 121.223 0.008 0.000 2.482 349 L HA 0.561 4.902 4.340 0.001 0.000 0.263 349 L C -0.344 176.527 176.870 0.001 0.000 0.957 349 L CA 0.234 55.059 54.840 -0.024 0.000 0.836 349 L CB 2.510 44.532 42.059 -0.063 0.000 1.324 349 L HN 0.614 nan 8.230 nan 0.000 0.406 350 S N 4.774 120.512 115.700 0.064 0.000 2.442 350 S HA 0.687 5.157 4.470 0.001 0.000 0.297 350 S C -0.440 174.368 174.600 0.348 0.000 1.131 350 S CA -0.528 57.804 58.200 0.219 0.000 1.092 350 S CB 0.719 64.187 63.200 0.445 0.000 0.998 350 S HN 0.466 nan 8.310 nan 0.000 0.478 351 L N 3.925 125.284 121.223 0.227 0.000 2.343 351 L HA 0.438 4.779 4.340 0.001 0.000 0.275 351 L C -2.293 174.584 176.870 0.011 0.000 1.056 351 L CA -2.635 52.248 54.840 0.071 0.000 0.804 351 L CB 0.775 42.659 42.059 -0.290 0.000 1.203 351 L HN 0.285 nan 8.230 nan 0.000 0.440 352 P HA 0.103 nan 4.420 nan 0.000 0.260 352 P C -0.741 176.485 177.300 -0.123 0.000 1.172 352 P CA 0.777 63.753 63.100 -0.207 0.000 0.760 352 P CB 0.502 32.179 31.700 -0.038 0.000 0.773 353 I N 1.854 122.238 120.570 -0.309 0.000 2.828 353 I HA 0.686 4.856 4.170 0.001 0.000 0.295 353 I C -0.425 175.577 176.117 -0.192 0.000 1.459 353 I CA -0.180 61.027 61.300 -0.155 0.000 1.015 353 I CB 2.162 40.169 38.000 0.011 0.000 1.345 353 I HN 0.610 nan 8.210 nan 0.000 0.449 354 G N 5.271 113.993 108.800 -0.129 0.000 2.321 354 G HA2 0.210 4.171 3.960 0.001 0.000 0.298 354 G HA3 0.210 4.171 3.960 0.001 0.000 0.298 354 G C -3.040 171.736 174.900 -0.206 0.000 1.385 354 G CA -0.484 44.550 45.100 -0.110 0.000 0.856 354 G HN 0.291 nan 8.290 nan 0.000 0.584 355 P HA 0.099 nan 4.420 nan 0.000 0.237 355 P C 0.513 177.137 177.300 -1.126 0.000 1.178 355 P CA 1.093 63.725 63.100 -0.781 0.000 0.766 355 P CB -0.035 30.873 31.700 -1.321 0.000 0.876 356 H N -2.058 116.801 119.070 -0.352 0.000 2.784 356 H HA 0.246 4.803 4.556 0.001 0.000 0.273 356 H C 0.350 175.565 175.328 -0.188 0.000 1.112 356 H CA -0.652 55.227 56.048 -0.281 0.000 1.162 356 H CB -0.049 29.544 29.762 -0.283 0.000 1.586 356 H HN -0.016 nan 8.280 nan 0.000 0.548 357 L N 2.084 123.225 121.223 -0.137 0.000 2.367 357 L HA 0.214 4.555 4.340 0.001 0.000 0.275 357 L C 0.049 176.837 176.870 -0.136 0.000 1.129 357 L CA -0.262 54.505 54.840 -0.123 0.000 0.839 357 L CB 0.632 42.602 42.059 -0.148 0.000 1.133 357 L HN 0.134 nan 8.230 nan 0.000 0.453 358 E N 3.030 123.166 120.200 -0.105 0.000 2.283 358 E HA 0.254 4.604 4.350 0.001 0.000 0.271 358 E C 0.721 177.247 176.600 -0.123 0.000 1.031 358 E CA -0.316 56.021 56.400 -0.104 0.000 0.868 358 E CB 1.206 30.862 29.700 -0.073 0.000 1.094 358 E HN 0.552 nan 8.360 nan 0.000 0.401 359 R N 2.843 123.268 120.500 -0.125 0.000 2.103 359 R HA -0.139 4.201 4.340 0.001 0.000 0.242 359 R C -0.934 175.294 176.300 -0.120 0.000 1.142 359 R CA 1.833 57.848 56.100 -0.142 0.000 0.960 359 R CB -0.841 29.383 30.300 -0.126 0.000 0.858 359 R HN 0.411 nan 8.270 nan 0.000 0.439 360 P HA -0.148 nan 4.420 nan 0.000 0.215 360 P C 0.704 177.971 177.300 -0.056 0.000 1.157 360 P CA 1.498 64.561 63.100 -0.062 0.000 0.863 360 P CB -0.159 31.513 31.700 -0.046 0.000 0.787 361 Q N -0.178 119.587 119.800 -0.058 0.000 2.181 361 Q HA -0.112 4.228 4.340 0.001 0.000 0.205 361 Q C 2.173 178.150 176.000 -0.039 0.000 0.980 361 Q CA 1.657 57.435 55.803 -0.042 0.000 0.862 361 Q CB -0.915 27.798 28.738 -0.041 0.000 0.905 361 Q HN 0.190 nan 8.270 nan 0.000 0.429 362 A N 1.027 123.793 122.820 -0.090 0.000 2.014 362 A HA -0.052 4.268 4.320 0.001 0.000 0.218 362 A C 2.061 179.615 177.584 -0.050 0.000 1.163 362 A CA 0.666 52.632 52.037 -0.118 0.000 0.652 362 A CB -0.425 18.363 19.000 -0.353 0.000 0.808 362 A HN 0.271 nan 8.150 nan 0.000 0.449 363 L N -0.013 121.172 121.223 -0.063 0.000 2.017 363 L HA -0.225 4.116 4.340 0.001 0.000 0.208 363 L C 2.910 179.787 176.870 0.012 0.000 1.073 363 L CA 1.835 56.657 54.840 -0.030 0.000 0.745 363 L CB -0.594 41.441 42.059 -0.041 0.000 0.894 363 L HN 0.576 nan 8.230 nan 0.000 0.432 364 R N 0.162 120.666 120.500 0.007 0.000 2.127 364 R HA -0.127 4.214 4.340 0.001 0.000 0.238 364 R C 1.942 178.263 176.300 0.035 0.000 1.134 364 R CA 1.668 57.778 56.100 0.017 0.000 0.975 364 R CB -1.180 29.122 30.300 0.003 0.000 0.865 364 R HN 0.182 nan 8.270 nan 0.000 0.447 365 V N 1.916 121.864 119.914 0.057 0.000 2.332 365 V HA -0.253 3.868 4.120 0.001 0.000 0.248 365 V C 2.615 178.759 176.094 0.083 0.000 1.055 365 V CA 1.522 63.866 62.300 0.073 0.000 1.038 365 V CB -0.468 31.439 31.823 0.140 0.000 0.651 365 V HN 0.245 nan 8.190 nan 0.000 0.450 366 I N 0.191 120.835 120.570 0.123 0.000 2.113 366 I HA -0.190 3.981 4.170 0.001 0.000 0.238 366 I C 2.401 178.571 176.117 0.089 0.000 1.070 366 I CA 1.626 62.994 61.300 0.113 0.000 1.332 366 I CB -1.460 36.596 38.000 0.093 0.000 1.044 366 I HN 0.332 nan 8.210 nan 0.000 0.402 367 D N 1.115 121.556 120.400 0.069 0.000 2.126 367 D HA -0.205 4.436 4.640 0.001 0.000 0.190 367 D C 2.220 178.581 176.300 0.102 0.000 1.001 367 D CA 1.992 56.035 54.000 0.070 0.000 0.841 367 D CB -0.176 40.652 40.800 0.048 0.000 0.949 367 D HN 0.341 nan 8.370 nan 0.000 0.446 368 A N 0.658 123.533 122.820 0.091 0.000 1.883 368 A HA -0.167 4.153 4.320 0.001 0.000 0.217 368 A C 2.633 180.357 177.584 0.233 0.000 1.186 368 A CA 1.675 53.787 52.037 0.125 0.000 0.624 368 A CB -0.857 18.145 19.000 0.002 0.000 0.822 368 A HN 0.169 nan 8.150 nan 0.000 0.444 369 V N 0.061 120.073 119.914 0.164 0.000 2.332 369 V HA -0.312 3.809 4.120 0.001 0.000 0.248 369 V C 2.614 178.864 176.094 0.260 0.000 1.055 369 V CA 2.301 64.721 62.300 0.201 0.000 1.038 369 V CB -0.906 30.981 31.823 0.106 0.000 0.651 369 V HN 0.536 nan 8.190 nan 0.000 0.450 370 R N 0.224 120.834 120.500 0.183 0.000 2.103 370 R HA -0.262 4.079 4.340 0.001 0.000 0.234 370 R C 2.451 178.843 176.300 0.154 0.000 1.132 370 R CA 2.247 58.436 56.100 0.149 0.000 0.925 370 R CB -0.674 29.689 30.300 0.105 0.000 0.842 370 R HN 0.799 nan 8.270 nan 0.000 0.430 371 E N 0.313 120.615 120.200 0.170 0.000 2.033 371 E HA -0.292 4.058 4.350 0.001 0.000 0.199 371 E C 1.954 178.622 176.600 0.115 0.000 1.011 371 E CA 1.717 58.204 56.400 0.146 0.000 0.815 371 E CB -0.625 29.191 29.700 0.192 0.000 0.755 371 E HN 0.475 nan 8.360 nan 0.000 0.451 372 W N 1.625 122.934 121.300 0.015 0.000 2.290 372 W HA -0.320 4.340 4.660 0.001 0.000 0.311 372 W C 2.403 178.850 176.519 -0.121 0.000 1.238 372 W CA 3.162 60.360 57.345 -0.245 0.000 1.255 372 W CB -0.549 28.875 29.460 -0.059 0.000 1.145 372 W HN 0.309 nan 8.180 nan 0.000 0.506 373 A N -0.296 122.590 122.820 0.110 0.000 1.898 373 A HA -0.103 4.217 4.320 0.001 0.000 0.214 373 A C 1.619 179.122 177.584 -0.136 0.000 1.183 373 A CA 1.419 53.415 52.037 -0.068 0.000 0.622 373 A CB -0.737 18.357 19.000 0.157 0.000 0.824 373 A HN 0.401 nan 8.150 nan 0.000 0.444 374 E N -0.665 119.504 120.200 -0.051 0.000 2.335 374 E HA 0.069 4.419 4.350 0.001 0.000 0.191 374 E C 1.286 177.830 176.600 -0.094 0.000 1.150 374 E CA -0.026 56.341 56.400 -0.054 0.000 1.001 374 E CB 0.095 29.792 29.700 -0.006 0.000 1.127 374 E HN 0.513 nan 8.360 nan 0.000 0.462 375 R N -0.986 119.404 120.500 -0.183 0.000 3.609 375 R HA 0.162 4.503 4.340 0.001 0.000 0.149 375 R C 0.730 176.867 176.300 -0.272 0.000 0.948 375 R CA -0.221 55.755 56.100 -0.207 0.000 1.014 375 R CB 0.072 30.226 30.300 -0.243 0.000 1.404 375 R HN -0.064 nan 8.270 nan 0.000 0.493 376 V N 0.000 119.638 119.914 -0.460 0.000 2.409 376 V HA 0.000 4.120 4.120 0.001 0.000 0.244 376 V CA 0.000 61.985 62.300 -0.526 0.000 1.235 376 V CB 0.000 31.192 31.823 -1.052 0.000 1.184 376 V HN 0.000 nan 8.190 nan 0.000 0.556