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 1ylo_1_E DATA FIRST_RESID 0 DATA SEQUENCE AXDLSLLKAL SEADAIASSE QEVRQILLEE AARLQKEVRF DGLGSVLIRL DATA SEQUENCE NESTGPKVXI CAHXDEVGFX VRSISREGAI DVLPVGNVRX AARQLQPVRI DATA SEQUENCE TTREECKIPG LLDGDRQGND VSAXRVDIGA RTYDEVXQAG IRPGDRVTFD DATA SEQUENCE TTFQVLPHQR VXGKAFDDRL SCYLLVTLLR ELHDAELPAE VWLVASSSEE DATA SEQUENCE VGLRGGQTAT RAVSPDVAIV LDTACWAKNF DYGAANHRQI GNGPXLVLSD DATA SEQUENCE KSLIAPPKLT AWIETVAAEI GVPLQADXFS NGGTDGGAVH LTGTGVPTLV DATA SEQUENCE XGPATRHGHC AASIADCRDI LQXEQLLSAL IQRLTRETVV QLTDFR 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.631 177.584 0.078 0.000 1.274 0 A CA 0.000 52.065 52.037 0.047 0.000 0.836 0 A CB 0.000 19.023 19.000 0.038 0.000 0.831 3 L N 1.228 122.503 121.223 0.087 0.000 2.201 3 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 3 L C 2.458 179.295 176.870 -0.055 0.000 1.105 3 L CA 1.440 56.303 54.840 0.038 0.000 0.775 3 L CB -0.309 41.832 42.059 0.137 0.000 0.913 3 L HN 0.374 nan 8.230 nan 0.000 0.440 4 S N 0.124 115.820 115.700 -0.006 0.000 2.406 4 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 4 S C 1.909 176.474 174.600 -0.057 0.000 1.020 4 S CA 0.823 59.004 58.200 -0.031 0.000 0.965 4 S CB -0.511 62.690 63.200 0.001 0.000 0.798 4 S HN 0.316 nan 8.310 nan 0.000 0.488 5 L N 0.785 122.003 121.223 -0.008 0.000 2.056 5 L HA 0.225 4.565 4.340 -0.000 0.000 0.207 5 L C 2.232 179.110 176.870 0.014 0.000 1.078 5 L CA 1.407 56.255 54.840 0.015 0.000 0.749 5 L CB -0.873 41.204 42.059 0.031 0.000 0.901 5 L HN 0.373 nan 8.230 nan 0.000 0.433 6 L N -0.059 121.155 121.223 -0.016 0.000 2.093 6 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 6 L C 2.556 179.077 176.870 -0.582 0.000 1.085 6 L CA 1.943 56.632 54.840 -0.252 0.000 0.755 6 L CB -0.887 40.872 42.059 -0.499 0.000 0.904 6 L HN 0.423 nan 8.230 nan 0.000 0.435 7 K N -0.640 119.268 120.400 -0.820 0.000 2.026 7 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 7 K C 1.984 178.448 176.600 -0.227 0.000 1.048 7 K CA 1.462 57.314 56.287 -0.725 0.000 0.929 7 K CB -0.242 32.020 32.500 -0.397 0.000 0.713 7 K HN 0.403 nan 8.250 nan 0.000 0.439 8 A N 1.261 123.999 122.820 -0.135 0.000 1.902 8 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 8 A C 2.142 179.719 177.584 -0.012 0.000 1.181 8 A CA 1.351 53.362 52.037 -0.043 0.000 0.623 8 A CB -0.545 18.440 19.000 -0.026 0.000 0.818 8 A HN 0.332 nan 8.150 nan 0.000 0.443 9 L N -1.065 120.148 121.223 -0.016 0.000 2.044 9 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 9 L C 2.930 179.841 176.870 0.069 0.000 1.075 9 L CA 1.421 56.279 54.840 0.031 0.000 0.747 9 L CB -0.479 41.609 42.059 0.049 0.000 0.903 9 L HN 0.489 nan 8.230 nan 0.000 0.435 10 S N -0.079 115.669 115.700 0.080 0.000 2.370 10 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 10 S C 1.787 176.485 174.600 0.163 0.000 1.033 10 S CA 1.685 60.011 58.200 0.210 0.000 1.011 10 S CB -0.143 63.291 63.200 0.391 0.000 0.852 10 S HN 0.456 nan 8.310 nan 0.000 0.457 11 E N 0.810 121.079 120.200 0.115 0.000 2.371 11 E HA 0.232 4.582 4.350 -0.000 0.000 0.194 11 E C 0.765 177.414 176.600 0.082 0.000 1.012 11 E CA 0.226 56.690 56.400 0.106 0.000 0.860 11 E CB -0.044 29.713 29.700 0.095 0.000 0.811 11 E HN 0.602 nan 8.360 nan 0.000 0.502 12 A N 2.008 124.869 122.820 0.070 0.000 2.531 12 A HA -0.005 4.315 4.320 -0.000 0.000 0.236 12 A C -0.345 177.280 177.584 0.067 0.000 1.062 12 A CA 0.095 52.167 52.037 0.059 0.000 0.760 12 A CB 0.246 19.277 19.000 0.052 0.000 0.995 12 A HN -0.047 nan 8.150 nan 0.000 0.501 13 D N 1.308 121.742 120.400 0.056 0.000 2.373 13 D HA 0.547 5.186 4.640 -0.000 0.000 0.227 13 D C -0.404 175.923 176.300 0.044 0.000 1.091 13 D CA 0.625 54.657 54.000 0.053 0.000 0.840 13 D CB 1.409 42.236 40.800 0.045 0.000 1.060 13 D HN 0.694 nan 8.370 nan 0.000 0.502 14 A N 3.088 125.937 122.820 0.048 0.000 2.442 14 A HA 0.618 4.938 4.320 -0.000 0.000 0.284 14 A C -0.335 177.273 177.584 0.041 0.000 1.058 14 A CA -0.776 51.288 52.037 0.044 0.000 0.738 14 A CB 0.543 19.576 19.000 0.055 0.000 1.242 14 A HN 0.556 nan 8.150 nan 0.000 0.421 15 I N -0.533 120.052 120.570 0.024 0.000 3.170 15 I HA 0.915 5.085 4.170 -0.000 0.000 0.312 15 I C 0.571 176.696 176.117 0.013 0.000 1.085 15 I CA -1.401 59.905 61.300 0.010 0.000 0.999 15 I CB 1.894 39.883 38.000 -0.018 0.000 1.233 15 I HN 0.728 nan 8.210 nan 0.000 0.467 16 A N 2.140 124.962 122.820 0.003 0.000 2.580 16 A HA 0.266 4.586 4.320 -0.000 0.000 0.244 16 A C 1.120 178.707 177.584 0.005 0.000 1.045 16 A CA 0.977 53.017 52.037 0.005 0.000 0.761 16 A CB -0.696 18.298 19.000 -0.010 0.000 0.962 16 A HN 1.174 nan 8.150 nan 0.000 0.512 17 S N 0.408 116.115 115.700 0.011 0.000 2.524 17 S HA -0.170 4.300 4.470 -0.000 0.000 0.254 17 S C 0.519 175.121 174.600 0.005 0.000 1.258 17 S CA 1.578 59.782 58.200 0.006 0.000 1.448 17 S CB -1.490 61.711 63.200 0.001 0.000 1.806 17 S HN 1.411 nan 8.310 nan 0.000 0.630 18 S N 0.838 116.543 115.700 0.009 0.000 2.252 18 S HA 0.437 4.907 4.470 -0.000 0.000 0.187 18 S C 0.025 174.637 174.600 0.020 0.000 1.587 18 S CA -0.621 57.584 58.200 0.009 0.000 1.215 18 S CB 1.159 64.363 63.200 0.007 0.000 1.085 18 S HN 0.401 nan 8.310 nan 0.000 0.466 19 E N 1.439 121.654 120.200 0.025 0.000 2.693 19 E HA 0.005 4.355 4.350 -0.000 0.000 0.214 19 E C 1.977 178.600 176.600 0.038 0.000 0.990 19 E CA -0.126 56.298 56.400 0.040 0.000 1.047 19 E CB 0.356 30.089 29.700 0.055 0.000 1.039 19 E HN 0.544 nan 8.360 nan 0.000 0.475 20 Q N 0.885 120.699 119.800 0.023 0.000 2.135 20 Q HA -0.253 4.086 4.340 -0.000 0.000 0.204 20 Q C 1.172 177.190 176.000 0.029 0.000 0.981 20 Q CA 1.539 57.354 55.803 0.020 0.000 0.856 20 Q CB -0.214 28.527 28.738 0.004 0.000 0.902 20 Q HN 0.382 nan 8.270 nan 0.000 0.425 21 E N 0.401 120.619 120.200 0.030 0.000 2.110 21 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 21 E C 2.171 178.794 176.600 0.038 0.000 0.988 21 E CA 1.399 57.818 56.400 0.032 0.000 0.804 21 E CB 0.141 29.861 29.700 0.033 0.000 0.745 21 E HN 0.224 nan 8.360 nan 0.000 0.458 22 V N 0.712 120.653 119.914 0.046 0.000 2.446 22 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 22 V C 2.348 178.476 176.094 0.057 0.000 1.039 22 V CA 1.513 63.843 62.300 0.051 0.000 1.045 22 V CB -0.387 31.472 31.823 0.059 0.000 0.681 22 V HN 0.152 nan 8.190 nan 0.000 0.459 23 R N 0.764 121.306 120.500 0.069 0.000 2.091 23 R HA -0.263 4.077 4.340 -0.000 0.000 0.238 23 R C 2.484 178.835 176.300 0.084 0.000 1.136 23 R CA 2.228 58.386 56.100 0.095 0.000 0.959 23 R CB -0.305 30.062 30.300 0.111 0.000 0.856 23 R HN 0.795 nan 8.270 nan 0.000 0.437 24 Q N 0.046 119.881 119.800 0.059 0.000 2.084 24 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 24 Q C 2.074 178.096 176.000 0.036 0.000 0.978 24 Q CA 1.807 57.638 55.803 0.047 0.000 0.844 24 Q CB -0.437 28.320 28.738 0.032 0.000 0.898 24 Q HN 0.445 nan 8.270 nan 0.000 0.426 25 I N 0.447 121.035 120.570 0.029 0.000 2.163 25 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 25 I C 2.076 178.198 176.117 0.008 0.000 1.085 25 I CA 0.838 62.146 61.300 0.014 0.000 1.347 25 I CB -0.299 37.708 38.000 0.012 0.000 1.044 25 I HN 0.210 nan 8.210 nan 0.000 0.408 26 L N -0.198 121.038 121.223 0.021 0.000 2.046 26 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 26 L C 2.321 179.198 176.870 0.013 0.000 1.077 26 L CA 1.744 56.592 54.840 0.015 0.000 0.747 26 L CB -1.112 40.969 42.059 0.037 0.000 0.896 26 L HN 0.185 nan 8.230 nan 0.000 0.432 27 L N -0.741 120.507 121.223 0.042 0.000 2.141 27 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 27 L C 2.489 179.369 176.870 0.016 0.000 1.094 27 L CA 1.385 56.253 54.840 0.046 0.000 0.763 27 L CB -0.852 41.267 42.059 0.100 0.000 0.908 27 L HN 0.353 nan 8.230 nan 0.000 0.437 28 E N -0.974 119.231 120.200 0.009 0.000 2.072 28 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 28 E C 2.047 178.629 176.600 -0.030 0.000 0.985 28 E CA 0.853 57.248 56.400 -0.008 0.000 0.801 28 E CB 0.075 29.771 29.700 -0.007 0.000 0.750 28 E HN 0.408 nan 8.360 nan 0.000 0.452 29 E N 0.463 120.640 120.200 -0.038 0.000 2.051 29 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 29 E C 2.099 178.654 176.600 -0.075 0.000 0.991 29 E CA 1.109 57.471 56.400 -0.064 0.000 0.799 29 E CB -0.273 29.384 29.700 -0.071 0.000 0.748 29 E HN 0.241 nan 8.360 nan 0.000 0.449 30 A N 1.460 124.244 122.820 -0.060 0.000 1.933 30 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 30 A C 2.405 179.950 177.584 -0.064 0.000 1.175 30 A CA 2.042 54.037 52.037 -0.069 0.000 0.628 30 A CB -0.497 18.464 19.000 -0.064 0.000 0.814 30 A HN 0.268 nan 8.150 nan 0.000 0.444 31 A N -0.602 122.191 122.820 -0.045 0.000 1.898 31 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 31 A C 2.203 179.758 177.584 -0.049 0.000 1.181 31 A CA 1.513 53.529 52.037 -0.036 0.000 0.620 31 A CB -0.439 18.552 19.000 -0.016 0.000 0.819 31 A HN 0.496 nan 8.150 nan 0.000 0.442 32 R N -0.704 119.760 120.500 -0.061 0.000 2.127 32 R HA -0.012 4.328 4.340 -0.000 0.000 0.238 32 R C 1.053 177.288 176.300 -0.108 0.000 1.134 32 R CA 1.281 57.335 56.100 -0.077 0.000 0.975 32 R CB -0.258 29.991 30.300 -0.085 0.000 0.865 32 R HN 0.517 nan 8.270 nan 0.000 0.447 33 L N 0.513 121.657 121.223 -0.131 0.000 2.700 33 L HA 0.153 4.493 4.340 -0.000 0.000 0.234 33 L C -0.102 176.717 176.870 -0.085 0.000 1.156 33 L CA -0.033 54.705 54.840 -0.171 0.000 0.946 33 L CB 0.202 42.103 42.059 -0.263 0.000 1.216 33 L HN 0.223 nan 8.230 nan 0.000 0.493 34 Q N -0.086 119.676 119.800 -0.063 0.000 2.453 34 Q HA -0.222 4.118 4.340 -0.000 0.000 0.294 34 Q C -0.190 175.781 176.000 -0.047 0.000 1.295 34 Q CA 0.679 56.457 55.803 -0.042 0.000 0.853 34 Q CB -1.235 27.488 28.738 -0.026 0.000 1.193 34 Q HN 0.222 nan 8.270 nan 0.000 0.461 35 K N 2.192 122.554 120.400 -0.064 0.000 2.156 35 K HA 0.143 4.463 4.320 -0.000 0.000 0.271 35 K C 0.028 176.574 176.600 -0.090 0.000 0.995 35 K CA -0.566 55.670 56.287 -0.085 0.000 0.890 35 K CB 0.813 33.253 32.500 -0.100 0.000 1.073 35 K HN 0.142 nan 8.250 nan 0.000 0.454 36 E N 2.658 122.795 120.200 -0.106 0.000 2.360 36 E HA 0.100 4.450 4.350 -0.000 0.000 0.269 36 E C -0.749 175.774 176.600 -0.128 0.000 1.022 36 E CA -0.349 55.994 56.400 -0.095 0.000 0.887 36 E CB 0.697 30.350 29.700 -0.079 0.000 0.990 36 E HN 0.094 nan 8.360 nan 0.000 0.426 37 V N 4.087 123.921 119.914 -0.134 0.000 2.487 37 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 37 V C 0.285 176.181 176.094 -0.331 0.000 1.028 37 V CA -0.802 61.351 62.300 -0.244 0.000 0.860 37 V CB 1.450 33.090 31.823 -0.305 0.000 0.991 37 V HN 0.591 nan 8.190 nan 0.000 0.427 38 R N 2.965 123.283 120.500 -0.304 0.000 2.828 38 R HA 0.815 5.155 4.340 -0.000 0.000 0.264 38 R C -1.502 174.479 176.300 -0.532 0.000 1.022 38 R CA -0.504 55.436 56.100 -0.267 0.000 1.021 38 R CB 1.951 32.278 30.300 0.044 0.000 1.163 38 R HN 0.555 nan 8.270 nan 0.000 0.494 39 F N -0.209 119.785 119.950 0.072 0.000 2.588 39 F HA 0.264 4.791 4.527 -0.000 0.000 0.314 39 F C 0.142 175.961 175.800 0.032 0.000 1.069 39 F CA -1.046 56.986 58.000 0.052 0.000 0.931 39 F CB 1.460 40.485 39.000 0.040 0.000 1.260 39 F HN 0.557 nan 8.300 nan 0.000 0.465 40 D N 0.078 120.609 120.400 0.218 0.000 2.506 40 D HA 0.292 4.932 4.640 -0.000 0.000 0.272 40 D C 1.296 177.663 176.300 0.112 0.000 1.214 40 D CA -0.553 53.519 54.000 0.120 0.000 1.067 40 D CB 0.446 41.287 40.800 0.069 0.000 1.117 40 D HN 0.601 nan 8.370 nan 0.000 0.578 41 G N -1.055 107.782 108.800 0.062 0.000 2.498 41 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 41 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 41 G C 1.123 176.040 174.900 0.028 0.000 1.119 41 G CA 0.323 45.446 45.100 0.038 0.000 0.766 41 G HN 0.312 nan 8.290 nan 0.000 0.552 42 L N -0.226 121.022 121.223 0.041 0.000 2.585 42 L HA 0.380 4.720 4.340 -0.000 0.000 0.226 42 L C 1.961 178.855 176.870 0.040 0.000 1.113 42 L CA 0.850 55.710 54.840 0.033 0.000 0.876 42 L CB 0.328 42.408 42.059 0.036 0.000 1.072 42 L HN 0.323 nan 8.230 nan 0.000 0.468 43 G N -1.537 107.301 108.800 0.064 0.000 2.144 43 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 43 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 43 G C 0.447 175.466 174.900 0.198 0.000 0.988 43 G CA 0.216 45.363 45.100 0.077 0.000 0.659 43 G HN 0.247 nan 8.290 nan 0.000 0.522 44 S N -0.484 115.327 115.700 0.185 0.000 2.560 44 S HA 0.412 4.882 4.470 -0.000 0.000 0.284 44 S C 0.667 175.415 174.600 0.247 0.000 1.327 44 S CA -0.027 58.281 58.200 0.181 0.000 1.055 44 S CB 1.995 65.269 63.200 0.123 0.000 0.868 44 S HN 0.716 nan 8.310 nan 0.000 0.506 45 V N 4.393 124.416 119.914 0.182 0.000 2.383 45 V HA 0.287 4.407 4.120 -0.000 0.000 0.275 45 V C -0.660 175.460 176.094 0.043 0.000 1.036 45 V CA -0.620 61.736 62.300 0.094 0.000 0.889 45 V CB 0.823 32.711 31.823 0.109 0.000 0.985 45 V HN 0.528 nan 8.190 nan 0.000 0.459 46 L N 7.114 128.327 121.223 -0.017 0.000 2.324 46 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 46 L C -0.258 176.699 176.870 0.145 0.000 1.012 46 L CA -0.238 54.692 54.840 0.149 0.000 0.859 46 L CB 1.030 43.201 42.059 0.188 0.000 1.224 46 L HN 0.468 nan 8.230 nan 0.000 0.429 47 I N 3.218 123.845 120.570 0.096 0.000 2.330 47 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 47 I C 0.616 176.545 176.117 -0.313 0.000 1.001 47 I CA -0.542 60.702 61.300 -0.093 0.000 1.193 47 I CB 1.099 39.048 38.000 -0.085 0.000 1.345 47 I HN 0.477 nan 8.210 nan 0.000 0.461 48 R N 6.322 126.413 120.500 -0.682 0.000 2.242 48 R HA 0.204 4.544 4.340 -0.000 0.000 0.334 48 R C 0.901 176.859 176.300 -0.571 0.000 1.071 48 R CA -0.177 55.225 56.100 -1.163 0.000 0.922 48 R CB 0.611 30.121 30.300 -1.316 0.000 1.023 48 R HN 0.799 nan 8.270 nan 0.000 0.458 49 L N 3.894 124.846 121.223 -0.453 0.000 2.056 49 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 49 L C 0.346 177.094 176.870 -0.203 0.000 1.078 49 L CA 1.853 56.550 54.840 -0.238 0.000 0.749 49 L CB -0.076 41.887 42.059 -0.159 0.000 0.901 49 L HN 0.814 nan 8.230 nan 0.000 0.433 50 N N -2.364 116.188 118.700 -0.245 0.000 3.039 50 N HA 0.231 4.971 4.740 -0.000 0.000 0.257 50 N C -1.501 173.914 175.510 -0.157 0.000 1.497 50 N CA -0.934 52.020 53.050 -0.160 0.000 0.861 50 N CB 1.305 39.728 38.487 -0.105 0.000 1.479 50 N HN -0.131 nan 8.380 nan 0.000 0.547 51 E N 0.233 120.379 120.200 -0.091 0.000 2.165 51 E HA 0.480 4.830 4.350 -0.000 0.000 0.266 51 E C -1.555 175.029 176.600 -0.027 0.000 0.889 51 E CA -0.777 55.592 56.400 -0.052 0.000 0.756 51 E CB 1.936 31.613 29.700 -0.039 0.000 1.131 51 E HN 0.465 nan 8.360 nan 0.000 0.411 52 S N 0.876 116.574 115.700 -0.004 0.000 2.541 52 S HA 0.247 4.717 4.470 -0.000 0.000 0.271 52 S C 0.425 175.039 174.600 0.023 0.000 1.133 52 S CA -0.496 57.707 58.200 0.006 0.000 0.876 52 S CB 1.468 64.671 63.200 0.005 0.000 1.105 52 S HN 0.542 nan 8.310 nan 0.000 0.470 53 T N 0.818 115.382 114.554 0.016 0.000 3.081 53 T HA 0.332 4.682 4.350 -0.000 0.000 0.250 53 T C 1.090 175.800 174.700 0.017 0.000 1.100 53 T CA 0.367 62.478 62.100 0.019 0.000 1.038 53 T CB -0.414 68.460 68.868 0.010 0.000 0.962 53 T HN 0.789 nan 8.240 nan 0.000 0.516 54 G N 2.722 111.532 108.800 0.016 0.000 2.611 54 G HA2 0.491 4.451 3.960 -0.000 0.000 0.273 54 G HA3 0.491 4.451 3.960 -0.000 0.000 0.273 54 G C -2.464 172.450 174.900 0.023 0.000 1.305 54 G CA -1.400 43.708 45.100 0.012 0.000 1.010 54 G HN 0.222 nan 8.290 nan 0.000 0.509 55 P HA 0.150 nan 4.420 nan 0.000 0.269 55 P C -0.594 176.737 177.300 0.052 0.000 1.215 55 P CA -0.026 63.085 63.100 0.017 0.000 0.780 55 P CB 0.749 32.442 31.700 -0.011 0.000 0.898 56 K N 1.338 121.778 120.400 0.068 0.000 2.312 56 K HA 0.341 4.661 4.320 -0.000 0.000 0.287 56 K C -0.052 176.612 176.600 0.106 0.000 1.062 56 K CA -0.480 55.882 56.287 0.125 0.000 0.934 56 K CB 0.519 33.081 32.500 0.103 0.000 1.027 56 K HN 0.220 nan 8.250 nan 0.000 0.478 60 C N 5.964 125.320 119.300 0.094 0.000 2.408 60 C HA 0.962 5.422 4.460 -0.000 0.000 0.321 60 C C 0.256 175.308 174.990 0.103 0.000 1.245 60 C CA 0.234 59.312 59.018 0.100 0.000 1.523 60 C CB 0.704 28.506 27.740 0.102 0.000 2.178 60 C HN 0.980 nan 8.230 nan 0.000 0.488 61 A N 3.808 126.688 122.820 0.100 0.000 2.430 61 A HA 0.905 5.225 4.320 -0.000 0.000 0.300 61 A C -0.857 176.807 177.584 0.133 0.000 1.124 61 A CA -0.500 51.588 52.037 0.086 0.000 0.766 61 A CB 1.032 20.054 19.000 0.036 0.000 1.328 61 A HN 1.157 nan 8.150 nan 0.000 0.424 65 E N -0.562 119.700 120.200 0.103 0.000 2.281 65 E HA 0.602 4.952 4.350 -0.000 0.000 0.262 65 E C 0.040 176.630 176.600 -0.016 0.000 0.933 65 E CA -1.158 55.291 56.400 0.082 0.000 0.809 65 E CB 2.236 31.991 29.700 0.092 0.000 1.242 65 E HN 0.435 nan 8.360 nan 0.000 0.418 66 V N -1.173 118.686 119.914 -0.090 0.000 2.775 66 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 66 V C 0.367 176.337 176.094 -0.206 0.000 1.062 66 V CA 0.748 62.923 62.300 -0.208 0.000 1.063 66 V CB 0.371 31.985 31.823 -0.349 0.000 0.994 66 V HN 0.957 nan 8.190 nan 0.000 0.483 67 G N 2.681 111.227 108.800 -0.423 0.000 2.635 67 G HA2 0.664 4.624 3.960 -0.000 0.000 0.194 67 G HA3 0.664 4.624 3.960 -0.000 0.000 0.194 67 G C -1.527 172.758 174.900 -1.026 0.000 1.198 67 G CA -0.558 44.170 45.100 -0.620 0.000 0.972 67 G HN 0.746 nan 8.290 nan 0.000 0.520 71 R N 1.882 122.391 120.500 0.016 0.000 2.140 71 R HA 0.488 4.828 4.340 -0.000 0.000 0.200 71 R C 0.597 176.912 176.300 0.025 0.000 1.069 71 R CA 1.064 57.177 56.100 0.021 0.000 1.088 71 R CB 0.813 31.127 30.300 0.023 0.000 1.012 71 R HN 0.690 nan 8.270 nan 0.000 0.500 72 S N -0.693 115.023 115.700 0.026 0.000 2.547 72 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 72 S C -1.805 172.825 174.600 0.051 0.000 1.150 72 S CA -0.740 57.488 58.200 0.047 0.000 0.850 72 S CB 1.387 64.613 63.200 0.044 0.000 1.118 72 S HN 0.121 nan 8.310 nan 0.000 0.461 73 I N 3.166 123.799 120.570 0.105 0.000 2.418 73 I HA 0.407 4.577 4.170 -0.000 0.000 0.287 73 I C 0.441 176.693 176.117 0.225 0.000 1.008 73 I CA -0.182 61.186 61.300 0.113 0.000 1.104 73 I CB 2.022 40.017 38.000 -0.008 0.000 1.264 73 I HN 0.648 nan 8.210 nan 0.000 0.438 74 S N 5.690 121.475 115.700 0.141 0.000 2.645 74 S HA 0.359 4.829 4.470 -0.000 0.000 0.266 74 S C 1.290 175.988 174.600 0.163 0.000 1.258 74 S CA -0.552 57.719 58.200 0.117 0.000 0.990 74 S CB 0.826 64.059 63.200 0.055 0.000 0.967 74 S HN 0.748 nan 8.310 nan 0.000 0.556 75 R N 0.096 120.646 120.500 0.083 0.000 2.193 75 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 75 R C 0.805 177.152 176.300 0.079 0.000 1.110 75 R CA 1.493 57.637 56.100 0.073 0.000 0.988 75 R CB -0.574 29.728 30.300 0.002 0.000 0.871 75 R HN 0.629 nan 8.270 nan 0.000 0.458 76 E N 0.309 120.544 120.200 0.058 0.000 2.489 76 E HA 0.124 4.474 4.350 -0.000 0.000 0.193 76 E C 0.859 177.482 176.600 0.039 0.000 1.057 76 E CA 0.733 57.157 56.400 0.039 0.000 0.866 76 E CB 0.625 30.338 29.700 0.022 0.000 0.916 76 E HN 0.602 nan 8.360 nan 0.000 0.500 77 G N 0.252 109.087 108.800 0.059 0.000 2.143 77 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.248 77 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.248 77 G C 0.399 175.302 174.900 0.005 0.000 0.991 77 G CA 0.044 45.160 45.100 0.026 0.000 0.689 77 G HN 0.521 nan 8.290 nan 0.000 0.522 78 A N -0.301 122.527 122.820 0.013 0.000 2.425 78 A HA 0.656 4.976 4.320 -0.000 0.000 0.249 78 A C 0.489 178.070 177.584 -0.005 0.000 1.084 78 A CA 0.195 52.230 52.037 -0.003 0.000 0.781 78 A CB 0.289 19.289 19.000 0.000 0.000 1.019 78 A HN 0.851 nan 8.150 nan 0.000 0.490 79 I N 2.966 123.520 120.570 -0.026 0.000 2.388 79 I HA 0.139 4.309 4.170 -0.000 0.000 0.281 79 I C -0.737 175.359 176.117 -0.035 0.000 1.046 79 I CA -0.593 60.688 61.300 -0.031 0.000 1.187 79 I CB 0.880 38.850 38.000 -0.049 0.000 1.351 79 I HN 0.519 nan 8.210 nan 0.000 0.472 80 D N 5.970 126.361 120.400 -0.015 0.000 2.458 80 D HA 0.191 4.831 4.640 -0.000 0.000 0.243 80 D C 0.029 176.321 176.300 -0.013 0.000 1.146 80 D CA 0.397 54.389 54.000 -0.013 0.000 0.877 80 D CB 1.381 42.185 40.800 0.005 0.000 1.176 80 D HN 0.270 nan 8.370 nan 0.000 0.461 81 V N -0.160 119.742 119.914 -0.019 0.000 2.962 81 V HA 0.665 4.785 4.120 -0.000 0.000 0.313 81 V C -0.562 175.569 176.094 0.063 0.000 1.099 81 V CA -1.035 61.272 62.300 0.012 0.000 0.971 81 V CB 1.942 33.748 31.823 -0.029 0.000 1.028 81 V HN 0.344 nan 8.190 nan 0.000 0.430 82 L N 3.078 124.363 121.223 0.103 0.000 2.342 82 L HA 0.669 5.009 4.340 -0.000 0.000 0.271 82 L C -2.371 174.609 176.870 0.183 0.000 1.008 82 L CA -1.966 52.947 54.840 0.121 0.000 0.818 82 L CB 2.761 44.858 42.059 0.062 0.000 1.296 82 L HN 0.513 nan 8.230 nan 0.000 0.427 83 P HA 0.124 nan 4.420 nan 0.000 0.275 83 P C -0.944 176.291 177.300 -0.108 0.000 1.228 83 P CA -0.233 62.849 63.100 -0.030 0.000 0.786 83 P CB 1.269 32.956 31.700 -0.022 0.000 0.927 84 V N 2.869 122.645 119.914 -0.229 0.000 2.326 84 V HA 0.648 4.768 4.120 -0.000 0.000 0.281 84 V C 0.695 176.673 176.094 -0.194 0.000 1.015 84 V CA 0.521 62.727 62.300 -0.157 0.000 0.823 84 V CB 0.246 31.994 31.823 -0.124 0.000 1.009 84 V HN 1.122 nan 8.190 nan 0.000 0.436 85 G N 4.996 113.713 108.800 -0.139 0.000 2.710 85 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.668 85 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.668 85 G C -0.409 174.413 174.900 -0.131 0.000 1.320 85 G CA -0.527 44.485 45.100 -0.147 0.000 0.860 85 G HN 0.727 nan 8.290 nan 0.000 0.538 86 N N 0.021 118.666 118.700 -0.092 0.000 2.663 86 N HA 0.401 5.141 4.740 -0.000 0.000 0.250 86 N C 0.323 175.857 175.510 0.039 0.000 1.129 86 N CA -0.257 52.803 53.050 0.016 0.000 0.995 86 N CB 0.872 39.433 38.487 0.124 0.000 1.324 86 N HN 0.568 nan 8.380 nan 0.000 0.512 87 V N 2.674 122.571 119.914 -0.029 0.000 2.508 87 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 87 V C 1.308 177.481 176.094 0.131 0.000 1.041 87 V CA -0.409 61.920 62.300 0.048 0.000 1.016 87 V CB 0.430 32.229 31.823 -0.041 0.000 0.984 87 V HN 0.601 nan 8.190 nan 0.000 0.478 91 A N 0.149 123.038 122.820 0.116 0.000 2.507 91 A HA 0.486 4.806 4.320 -0.000 0.000 0.270 91 A C 1.052 178.837 177.584 0.336 0.000 1.318 91 A CA 0.140 52.287 52.037 0.183 0.000 0.924 91 A CB -0.392 18.708 19.000 0.166 0.000 1.061 91 A HN 0.330 nan 8.150 nan 0.000 0.516 92 R N -0.393 120.237 120.500 0.217 0.000 2.565 92 R HA 0.215 4.555 4.340 -0.000 0.000 0.347 92 R C -0.564 175.774 176.300 0.064 0.000 1.010 92 R CA 0.091 56.300 56.100 0.180 0.000 1.126 92 R CB 0.605 31.015 30.300 0.184 0.000 1.331 92 R HN 0.461 nan 8.270 nan 0.000 0.552 93 Q N 0.919 120.759 119.800 0.066 0.000 2.292 93 Q HA 0.331 4.671 4.340 -0.000 0.000 0.270 93 Q C -0.540 175.475 176.000 0.024 0.000 1.024 93 Q CA -0.617 55.202 55.803 0.026 0.000 0.768 93 Q CB 2.457 31.210 28.738 0.025 0.000 1.250 93 Q HN 0.138 nan 8.270 nan 0.000 0.447 94 L N 2.150 123.374 121.223 0.002 0.000 3.762 94 L HA -0.266 4.074 4.340 -0.000 0.000 0.460 94 L C -0.682 176.202 176.870 0.023 0.000 1.255 94 L CA 0.586 55.428 54.840 0.002 0.000 0.783 94 L CB -1.278 40.782 42.059 0.002 0.000 1.600 94 L HN 0.633 nan 8.230 nan 0.000 0.862 95 Q N 0.276 120.097 119.800 0.036 0.000 2.333 95 Q HA 0.456 4.796 4.340 -0.000 0.000 0.265 95 Q C -2.197 173.847 176.000 0.074 0.000 0.989 95 Q CA -1.965 53.902 55.803 0.106 0.000 0.842 95 Q CB 1.737 30.631 28.738 0.261 0.000 1.262 95 Q HN 0.008 nan 8.270 nan 0.000 0.451 96 P HA -0.003 nan 4.420 nan 0.000 0.267 96 P C -0.533 176.821 177.300 0.091 0.000 1.209 96 P CA 0.133 63.271 63.100 0.064 0.000 0.763 96 P CB 0.641 32.379 31.700 0.063 0.000 0.816 97 V N 1.426 121.350 119.914 0.017 0.000 3.156 97 V HA 0.844 4.964 4.120 -0.000 0.000 0.310 97 V C -0.864 175.226 176.094 -0.007 0.000 1.234 97 V CA -1.302 60.990 62.300 -0.013 0.000 1.065 97 V CB 2.576 34.318 31.823 -0.134 0.000 1.088 97 V HN 0.560 nan 8.190 nan 0.000 0.451 98 R N 0.608 121.105 120.500 -0.006 0.000 2.651 98 R HA 0.792 5.132 4.340 -0.000 0.000 0.278 98 R C -1.664 174.631 176.300 -0.008 0.000 1.010 98 R CA -0.857 55.241 56.100 -0.003 0.000 0.896 98 R CB 2.119 32.429 30.300 0.017 0.000 1.211 98 R HN 0.718 nan 8.270 nan 0.000 0.456 99 I N 1.983 122.545 120.570 -0.014 0.000 2.359 99 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 99 I C -0.313 175.800 176.117 -0.006 0.000 0.987 99 I CA -0.816 60.476 61.300 -0.013 0.000 1.225 99 I CB 2.258 40.242 38.000 -0.026 0.000 1.366 99 I HN 0.618 nan 8.210 nan 0.000 0.466 100 T N 3.833 118.386 114.554 -0.001 0.000 2.756 100 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 100 T C 0.378 175.075 174.700 -0.005 0.000 0.985 100 T CA -0.680 61.420 62.100 0.000 0.000 0.955 100 T CB 1.051 69.923 68.868 0.008 0.000 0.930 100 T HN 0.747 nan 8.240 nan 0.000 0.451 101 T N 1.229 115.778 114.554 -0.009 0.000 2.788 101 T HA 0.301 4.651 4.350 -0.000 0.000 0.280 101 T C 1.460 176.154 174.700 -0.009 0.000 0.984 101 T CA -0.765 61.327 62.100 -0.013 0.000 0.972 101 T CB 0.830 69.688 68.868 -0.017 0.000 1.039 101 T HN 0.497 nan 8.240 nan 0.000 0.530 102 R N 0.146 120.639 120.500 -0.011 0.000 2.152 102 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 102 R C 1.892 178.187 176.300 -0.007 0.000 1.117 102 R CA 1.470 57.565 56.100 -0.009 0.000 0.981 102 R CB -0.245 30.049 30.300 -0.010 0.000 0.870 102 R HN 0.728 nan 8.270 nan 0.000 0.451 103 E N 0.395 120.590 120.200 -0.008 0.000 2.489 103 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 103 E C -0.256 176.342 176.600 -0.004 0.000 1.057 103 E CA 0.037 56.433 56.400 -0.006 0.000 0.866 103 E CB 0.387 30.082 29.700 -0.008 0.000 0.916 103 E HN 0.084 nan 8.360 nan 0.000 0.500 104 E N -1.450 118.748 120.200 -0.003 0.000 3.070 104 E HA -0.208 4.142 4.350 -0.000 0.000 0.285 104 E C -0.619 175.982 176.600 0.001 0.000 0.972 104 E CA 0.486 56.886 56.400 0.001 0.000 0.915 104 E CB -2.705 26.996 29.700 0.003 0.000 1.466 104 E HN 0.296 nan 8.360 nan 0.000 0.432 105 C N 0.938 120.237 119.300 -0.002 0.000 2.539 105 C HA 0.401 4.861 4.460 -0.000 0.000 0.392 105 C C 1.062 176.051 174.990 -0.002 0.000 1.269 105 C CA -0.339 58.678 59.018 -0.002 0.000 2.250 105 C CB 0.423 28.159 27.740 -0.007 0.000 2.584 105 C HN 0.096 nan 8.230 nan 0.000 0.589 106 K N 2.345 122.746 120.400 0.001 0.000 2.339 106 K HA 0.592 4.912 4.320 -0.000 0.000 0.264 106 K C -1.294 175.306 176.600 -0.001 0.000 0.986 106 K CA -0.165 56.123 56.287 0.003 0.000 0.866 106 K CB 1.128 33.635 32.500 0.011 0.000 1.103 106 K HN 0.463 nan 8.250 nan 0.000 0.441 107 I N 5.600 126.166 120.570 -0.007 0.000 2.355 107 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 107 I C -2.117 173.992 176.117 -0.012 0.000 0.999 107 I CA -2.301 58.992 61.300 -0.012 0.000 1.163 107 I CB 1.254 39.241 38.000 -0.021 0.000 1.316 107 I HN 0.401 nan 8.210 nan 0.000 0.454 108 P HA 0.445 nan 4.420 nan 0.000 0.277 108 P C -0.219 177.070 177.300 -0.018 0.000 1.240 108 P CA -0.167 62.929 63.100 -0.007 0.000 0.798 108 P CB 1.466 33.167 31.700 0.002 0.000 0.979 109 G N 0.640 109.425 108.800 -0.024 0.000 2.645 109 G HA2 0.511 4.471 3.960 -0.000 0.000 0.292 109 G HA3 0.511 4.471 3.960 -0.000 0.000 0.292 109 G C -2.230 172.645 174.900 -0.040 0.000 1.415 109 G CA -0.599 44.479 45.100 -0.037 0.000 0.785 109 G HN 0.526 nan 8.290 nan 0.000 0.483 110 L N 0.394 121.588 121.223 -0.048 0.000 2.305 110 L HA 0.744 5.084 4.340 -0.000 0.000 0.284 110 L C -0.465 176.352 176.870 -0.088 0.000 1.013 110 L CA -0.807 54.003 54.840 -0.051 0.000 0.819 110 L CB 1.471 43.511 42.059 -0.032 0.000 1.227 110 L HN 0.561 nan 8.230 nan 0.000 0.417 111 L N 4.527 125.677 121.223 -0.123 0.000 2.312 111 L HA 0.580 4.920 4.340 -0.000 0.000 0.281 111 L C -1.087 175.704 176.870 -0.132 0.000 1.070 111 L CA 0.131 54.852 54.840 -0.198 0.000 0.805 111 L CB 1.168 42.998 42.059 -0.381 0.000 1.174 111 L HN 0.731 nan 8.230 nan 0.000 0.434 112 D N 2.491 122.816 120.400 -0.125 0.000 2.753 112 D HA 0.690 5.330 4.640 -0.000 0.000 0.224 112 D C -0.841 175.417 176.300 -0.071 0.000 1.213 112 D CA -0.071 53.884 54.000 -0.074 0.000 0.833 112 D CB 2.205 42.977 40.800 -0.047 0.000 1.607 112 D HN 0.706 nan 8.370 nan 0.000 0.463 113 G N 0.756 109.532 108.800 -0.039 0.000 2.630 113 G HA2 0.439 4.399 3.960 -0.000 0.000 0.296 113 G HA3 0.439 4.399 3.960 -0.000 0.000 0.296 113 G C -1.211 173.686 174.900 -0.006 0.000 1.285 113 G CA -0.576 44.511 45.100 -0.022 0.000 0.958 113 G HN 0.383 nan 8.290 nan 0.000 0.479 114 D N -0.057 120.343 120.400 -0.000 0.000 2.280 114 D HA 0.261 4.901 4.640 -0.000 0.000 0.243 114 D C 0.122 176.429 176.300 0.011 0.000 1.129 114 D CA -0.361 53.641 54.000 0.004 0.000 0.848 114 D CB 1.148 41.950 40.800 0.003 0.000 1.107 114 D HN 0.314 nan 8.370 nan 0.000 0.471 115 R N 3.100 123.606 120.500 0.011 0.000 2.308 115 R HA 0.206 4.546 4.340 -0.000 0.000 0.305 115 R C -0.666 175.641 176.300 0.011 0.000 1.053 115 R CA -0.388 55.720 56.100 0.014 0.000 0.957 115 R CB 0.548 30.857 30.300 0.013 0.000 1.022 115 R HN 0.387 nan 8.270 nan 0.000 0.461 116 Q N 3.406 123.214 119.800 0.013 0.000 2.397 116 Q HA 0.225 4.565 4.340 -0.000 0.000 0.260 116 Q C 0.319 176.326 176.000 0.011 0.000 1.002 116 Q CA 0.118 55.927 55.803 0.010 0.000 0.716 116 Q CB 1.973 30.717 28.738 0.010 0.000 1.258 116 Q HN 1.052 nan 8.270 nan 0.000 0.477 117 G N 4.018 112.823 108.800 0.009 0.000 2.565 117 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.295 117 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.295 117 G C 0.799 175.704 174.900 0.010 0.000 1.165 117 G CA 0.440 45.545 45.100 0.008 0.000 0.977 117 G HN 0.570 nan 8.290 nan 0.000 0.546 118 N N 2.110 120.816 118.700 0.010 0.000 2.409 118 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 118 N C -0.011 175.510 175.510 0.018 0.000 1.032 118 N CA 1.027 54.084 53.050 0.011 0.000 0.898 118 N CB -0.060 38.431 38.487 0.008 0.000 0.971 118 N HN 0.524 nan 8.380 nan 0.000 0.441 119 D N 0.560 120.971 120.400 0.019 0.000 2.210 119 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 119 D C -0.351 175.967 176.300 0.029 0.000 1.078 119 D CA -0.154 53.861 54.000 0.026 0.000 0.875 119 D CB 2.674 43.487 40.800 0.023 0.000 1.175 119 D HN -0.281 nan 8.370 nan 0.000 0.440 120 V N 2.062 122.000 119.914 0.040 0.000 2.409 120 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 120 V C 0.051 176.173 176.094 0.048 0.000 1.020 120 V CA -0.261 62.064 62.300 0.042 0.000 0.848 120 V CB 1.554 33.408 31.823 0.052 0.000 0.990 120 V HN 0.531 nan 8.190 nan 0.000 0.430 121 S N 2.297 118.018 115.700 0.034 0.000 2.794 121 S HA 0.955 5.425 4.470 -0.000 0.000 0.299 121 S C 0.056 174.668 174.600 0.020 0.000 1.179 121 S CA -0.012 58.209 58.200 0.034 0.000 0.838 121 S CB 1.780 64.999 63.200 0.031 0.000 1.206 121 S HN 1.889 nan 8.310 nan 0.000 0.523 125 V N 1.547 121.389 119.914 -0.120 0.000 2.483 125 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 125 V C -0.601 175.446 176.094 -0.078 0.000 1.035 125 V CA -0.421 61.806 62.300 -0.122 0.000 0.896 125 V CB 1.810 33.552 31.823 -0.137 0.000 0.986 125 V HN 0.603 nan 8.190 nan 0.000 0.447 126 D N 3.526 123.885 120.400 -0.068 0.000 2.425 126 D HA 0.389 5.029 4.640 -0.000 0.000 0.240 126 D C 0.410 176.685 176.300 -0.042 0.000 1.080 126 D CA -0.464 53.508 54.000 -0.047 0.000 0.836 126 D CB 1.548 42.325 40.800 -0.039 0.000 1.125 126 D HN 0.531 nan 8.370 nan 0.000 0.525 127 I N 0.643 121.191 120.570 -0.037 0.000 3.941 127 I HA 0.475 4.645 4.170 -0.000 0.000 0.335 127 I C 1.112 177.214 176.117 -0.024 0.000 1.402 127 I CA -0.283 60.998 61.300 -0.032 0.000 1.112 127 I CB 0.333 38.311 38.000 -0.036 0.000 1.043 127 I HN 0.487 nan 8.210 nan 0.000 0.395 128 G N 1.445 110.231 108.800 -0.022 0.000 2.157 128 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 128 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 128 G C 0.408 175.299 174.900 -0.014 0.000 0.979 128 G CA -0.029 45.061 45.100 -0.016 0.000 0.650 128 G HN 0.923 nan 8.290 nan 0.000 0.529 129 A N -0.452 122.357 122.820 -0.017 0.000 2.351 129 A HA 0.784 5.104 4.320 -0.000 0.000 0.257 129 A C 1.184 178.765 177.584 -0.005 0.000 1.087 129 A CA 0.574 52.602 52.037 -0.014 0.000 0.798 129 A CB 0.381 19.367 19.000 -0.024 0.000 1.033 129 A HN 0.456 nan 8.150 nan 0.000 0.488 130 R N -0.527 119.974 120.500 0.002 0.000 2.446 130 R HA 0.155 4.495 4.340 -0.000 0.000 0.254 130 R C -0.180 176.133 176.300 0.022 0.000 0.918 130 R CA 0.908 57.014 56.100 0.009 0.000 1.069 130 R CB 0.623 30.927 30.300 0.007 0.000 1.194 130 R HN 0.867 nan 8.270 nan 0.000 0.534 131 T N -4.242 110.329 114.554 0.030 0.000 2.883 131 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 131 T C 0.305 175.057 174.700 0.086 0.000 1.158 131 T CA -0.840 61.298 62.100 0.063 0.000 1.007 131 T CB 1.403 70.308 68.868 0.061 0.000 1.186 131 T HN 0.064 nan 8.240 nan 0.000 0.499 132 Y N 1.559 121.855 120.300 -0.008 0.000 2.102 132 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 132 Y C 1.874 177.770 175.900 -0.007 0.000 1.178 132 Y CA 2.484 60.579 58.100 -0.008 0.000 1.146 132 Y CB -0.377 38.079 38.460 -0.007 0.000 0.968 132 Y HN 0.746 nan 8.280 nan 0.000 0.504 133 D N 0.005 120.487 120.400 0.136 0.000 2.144 133 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 133 D C 2.010 178.286 176.300 -0.039 0.000 0.984 133 D CA 1.563 55.590 54.000 0.044 0.000 0.834 133 D CB -0.276 40.579 40.800 0.092 0.000 0.955 133 D HN 0.587 nan 8.370 nan 0.000 0.465 134 E N 0.311 120.496 120.200 -0.025 0.000 2.085 134 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 134 E C 0.977 177.534 176.600 -0.072 0.000 0.994 134 E CA 0.387 56.765 56.400 -0.036 0.000 0.801 134 E CB 0.231 29.919 29.700 -0.019 0.000 0.743 134 E HN 0.067 nan 8.360 nan 0.000 0.453 138 A N 0.651 123.438 122.820 -0.055 0.000 2.239 138 A HA 0.402 4.722 4.320 -0.000 0.000 0.209 138 A C 1.547 179.105 177.584 -0.044 0.000 1.171 138 A CA 1.519 53.529 52.037 -0.045 0.000 0.768 138 A CB -0.485 18.487 19.000 -0.047 0.000 0.790 138 A HN 0.660 nan 8.150 nan 0.000 0.478 139 G N -1.207 107.561 108.800 -0.052 0.000 2.176 139 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 139 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 139 G C 0.141 175.010 174.900 -0.051 0.000 0.979 139 G CA 0.171 45.244 45.100 -0.045 0.000 0.641 139 G HN 0.462 nan 8.290 nan 0.000 0.530 140 I N 1.570 122.100 120.570 -0.068 0.000 2.496 140 I HA 0.447 4.617 4.170 -0.000 0.000 0.285 140 I C 0.658 176.726 176.117 -0.081 0.000 1.080 140 I CA -0.219 61.040 61.300 -0.069 0.000 1.404 140 I CB 0.623 38.578 38.000 -0.075 0.000 1.403 140 I HN -0.002 nan 8.210 nan 0.000 0.539 141 R N 5.855 126.322 120.500 -0.054 0.000 2.771 141 R HA 0.469 4.809 4.340 -0.000 0.000 0.274 141 R C -2.727 173.559 176.300 -0.023 0.000 0.987 141 R CA -2.493 53.582 56.100 -0.043 0.000 0.908 141 R CB 1.066 31.350 30.300 -0.027 0.000 1.213 141 R HN 0.167 nan 8.270 nan 0.000 0.468 142 P HA -0.026 nan 4.420 nan 0.000 0.263 142 P C 0.766 178.067 177.300 0.003 0.000 1.168 142 P CA 1.475 64.578 63.100 0.005 0.000 0.759 142 P CB 0.351 32.062 31.700 0.018 0.000 0.782 143 G N 1.905 110.709 108.800 0.005 0.000 2.234 143 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 143 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 143 G C -0.105 174.797 174.900 0.002 0.000 0.997 143 G CA -0.303 44.799 45.100 0.004 0.000 0.623 143 G HN 0.513 nan 8.290 nan 0.000 0.514 144 D N 1.693 122.092 120.400 -0.001 0.000 2.458 144 D HA 0.377 5.017 4.640 -0.000 0.000 0.243 144 D C 1.360 177.663 176.300 0.005 0.000 1.146 144 D CA 0.087 54.085 54.000 -0.002 0.000 0.877 144 D CB 0.477 41.270 40.800 -0.011 0.000 1.176 144 D HN 0.801 nan 8.370 nan 0.000 0.461 145 R N 0.359 120.863 120.500 0.006 0.000 2.594 145 R HA 0.429 4.769 4.340 -0.000 0.000 0.272 145 R C -0.990 175.320 176.300 0.017 0.000 1.074 145 R CA -0.533 55.574 56.100 0.012 0.000 1.105 145 R CB 0.496 30.801 30.300 0.009 0.000 1.008 145 R HN 0.097 nan 8.270 nan 0.000 0.472 146 V N 2.405 122.340 119.914 0.036 0.000 2.577 146 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 146 V C -0.292 175.833 176.094 0.052 0.000 1.042 146 V CA -0.650 61.678 62.300 0.046 0.000 0.872 146 V CB 1.854 33.722 31.823 0.076 0.000 0.998 146 V HN 1.096 nan 8.190 nan 0.000 0.423 147 T N 0.647 115.206 114.554 0.009 0.000 2.906 147 T HA 0.745 5.095 4.350 -0.000 0.000 0.295 147 T C -0.491 174.193 174.700 -0.028 0.000 1.075 147 T CA -0.672 61.417 62.100 -0.017 0.000 1.005 147 T CB 1.417 70.315 68.868 0.049 0.000 1.136 147 T HN 0.132 nan 8.240 nan 0.000 0.498 148 F N 1.315 121.344 119.950 0.132 0.000 2.602 148 F HA 0.217 4.744 4.527 -0.000 0.000 0.367 148 F C 1.348 177.183 175.800 0.059 0.000 1.126 148 F CA -0.088 57.970 58.000 0.098 0.000 1.321 148 F CB 0.336 39.384 39.000 0.080 0.000 1.094 148 F HN 0.636 nan 8.300 nan 0.000 0.594 149 D N 1.861 122.401 120.400 0.233 0.000 3.057 149 D HA 0.098 4.738 4.640 -0.000 0.000 0.246 149 D C -0.686 175.682 176.300 0.114 0.000 1.238 149 D CA -0.029 54.049 54.000 0.130 0.000 0.949 149 D CB -0.293 40.559 40.800 0.087 0.000 1.086 149 D HN 0.346 nan 8.370 nan 0.000 0.487 150 T N 0.830 115.458 114.554 0.124 0.000 2.758 150 T HA 0.281 4.631 4.350 -0.000 0.000 0.285 150 T C 0.222 174.973 174.700 0.085 0.000 0.981 150 T CA -0.528 61.619 62.100 0.078 0.000 0.965 150 T CB 1.373 70.269 68.868 0.047 0.000 0.927 150 T HN 0.015 nan 8.240 nan 0.000 0.448 151 T N 4.038 118.634 114.554 0.069 0.000 2.851 151 T HA 0.280 4.630 4.350 -0.000 0.000 0.298 151 T C 0.046 174.816 174.700 0.117 0.000 0.977 151 T CA -0.416 61.743 62.100 0.099 0.000 1.126 151 T CB 0.016 68.927 68.868 0.072 0.000 0.916 151 T HN 0.469 nan 8.240 nan 0.000 0.529 152 F N 3.562 123.536 119.950 0.040 0.000 2.529 152 F HA 0.251 4.777 4.527 -0.000 0.000 0.365 152 F C 0.457 176.289 175.800 0.053 0.000 1.102 152 F CA 0.085 58.121 58.000 0.061 0.000 1.271 152 F CB 0.354 39.418 39.000 0.106 0.000 1.120 152 F HN 0.480 nan 8.300 nan 0.000 0.579 153 Q N 4.271 123.656 119.800 -0.691 0.000 2.389 153 Q HA 0.485 4.825 4.340 -0.000 0.000 0.277 153 Q C -1.457 174.203 176.000 -0.566 0.000 1.082 153 Q CA -1.273 54.261 55.803 -0.448 0.000 0.810 153 Q CB 2.706 31.317 28.738 -0.213 0.000 1.374 153 Q HN 0.464 nan 8.270 nan 0.000 0.422 154 V N 2.971 122.719 119.914 -0.278 0.000 2.465 154 V HA 0.350 4.470 4.120 -0.000 0.000 0.279 154 V C 0.015 176.045 176.094 -0.108 0.000 1.045 154 V CA -0.294 61.906 62.300 -0.166 0.000 0.938 154 V CB 0.847 32.642 31.823 -0.046 0.000 0.986 154 V HN 0.567 nan 8.190 nan 0.000 0.467 155 L N 5.794 126.971 121.223 -0.077 0.000 2.365 155 L HA 0.536 4.876 4.340 -0.000 0.000 0.267 155 L C -2.149 174.701 176.870 -0.034 0.000 1.033 155 L CA -1.941 52.877 54.840 -0.037 0.000 0.802 155 L CB 1.575 43.633 42.059 -0.002 0.000 1.267 155 L HN 0.436 nan 8.230 nan 0.000 0.457 156 P HA 0.087 nan 4.420 nan 0.000 0.270 156 P C -0.944 176.304 177.300 -0.087 0.000 1.223 156 P CA 0.118 63.123 63.100 -0.158 0.000 0.785 156 P CB 0.145 31.736 31.700 -0.181 0.000 0.923 157 H N -0.108 118.968 119.070 0.010 0.000 2.839 157 H HA -0.172 4.384 4.556 -0.000 0.000 0.298 157 H C -0.248 175.084 175.328 0.006 0.000 1.224 157 H CA 0.466 56.520 56.048 0.009 0.000 1.144 157 H CB -2.685 27.084 29.762 0.012 0.000 1.372 157 H HN 0.356 nan 8.280 nan 0.000 0.408 158 Q N -1.926 117.901 119.800 0.045 0.000 2.463 158 Q HA -0.212 4.128 4.340 -0.000 0.000 0.299 158 Q C -0.250 175.774 176.000 0.039 0.000 1.353 158 Q CA 1.501 57.326 55.803 0.036 0.000 0.828 158 Q CB -0.797 27.963 28.738 0.037 0.000 1.157 158 Q HN 0.703 nan 8.270 nan 0.000 0.436 159 R N -0.786 119.738 120.500 0.041 0.000 2.873 159 R HA 0.863 5.203 4.340 -0.000 0.000 0.264 159 R C 0.178 176.490 176.300 0.020 0.000 1.026 159 R CA -0.536 55.588 56.100 0.040 0.000 1.002 159 R CB 1.817 32.153 30.300 0.061 0.000 1.174 159 R HN 0.103 nan 8.270 nan 0.000 0.488 163 K N -0.762 119.512 120.400 -0.211 0.000 2.138 163 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 163 K C 0.862 177.480 176.600 0.031 0.000 1.015 163 K CA 0.602 56.826 56.287 -0.105 0.000 0.917 163 K CB 1.430 33.968 32.500 0.063 0.000 1.021 163 K HN 2.244 nan 8.250 nan 0.000 0.485 164 A N 0.775 123.653 122.820 0.097 0.000 2.847 164 A HA -0.172 4.148 4.320 -0.000 0.000 0.263 164 A C 0.711 178.492 177.584 0.329 0.000 1.391 164 A CA 0.853 53.007 52.037 0.194 0.000 0.866 164 A CB -2.331 16.774 19.000 0.175 0.000 1.057 164 A HN 0.701 nan 8.150 nan 0.000 0.673 165 F N 0.669 120.671 119.950 0.087 0.000 2.161 165 F HA -0.025 4.502 4.527 0.000 0.000 0.300 165 F C 1.430 177.260 175.800 0.050 0.000 1.089 165 F CA 1.503 59.543 58.000 0.067 0.000 1.282 165 F CB -0.460 38.579 39.000 0.065 0.000 1.010 165 F HN 0.528 nan 8.300 nan 0.000 0.485 166 D N 0.476 121.042 120.400 0.278 0.000 2.402 166 D HA 0.049 4.689 4.640 -0.000 0.000 0.235 166 D C -0.411 175.969 176.300 0.135 0.000 1.226 166 D CA 0.225 54.345 54.000 0.200 0.000 0.918 166 D CB 0.035 41.020 40.800 0.309 0.000 1.043 166 D HN -0.034 nan 8.370 nan 0.000 0.506 167 D N 2.564 122.911 120.400 -0.088 0.000 2.720 167 D HA 0.109 4.749 4.640 -0.000 0.000 0.285 167 D C 1.105 177.345 176.300 -0.100 0.000 1.359 167 D CA -0.226 53.636 54.000 -0.229 0.000 0.818 167 D CB 0.290 40.564 40.800 -0.877 0.000 1.108 167 D HN 0.190 nan 8.370 nan 0.000 0.474 168 R N -0.054 120.461 120.500 0.025 0.000 2.148 168 R HA 0.022 4.362 4.340 -0.000 0.000 0.227 168 R C 1.911 178.221 176.300 0.018 0.000 1.103 168 R CA 0.347 56.477 56.100 0.050 0.000 0.983 168 R CB -0.379 29.995 30.300 0.122 0.000 0.874 168 R HN 0.361 nan 8.270 nan 0.000 0.451 169 L N 0.311 121.506 121.223 -0.047 0.000 2.042 169 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 169 L C 2.233 179.114 176.870 0.019 0.000 1.076 169 L CA 1.420 56.190 54.840 -0.117 0.000 0.749 169 L CB -0.427 41.514 42.059 -0.195 0.000 0.893 169 L HN 0.104 nan 8.230 nan 0.000 0.432 170 S N -1.333 114.374 115.700 0.012 0.000 2.406 170 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 170 S C 2.105 176.730 174.600 0.041 0.000 1.020 170 S CA 0.998 59.216 58.200 0.031 0.000 0.965 170 S CB -0.315 62.890 63.200 0.009 0.000 0.798 170 S HN 0.444 nan 8.310 nan 0.000 0.488 171 C N 0.658 119.977 119.300 0.031 0.000 2.413 171 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 171 C C 2.318 177.339 174.990 0.051 0.000 1.265 171 C CA 0.550 59.590 59.018 0.037 0.000 1.752 171 C CB -1.356 26.405 27.740 0.035 0.000 1.998 171 C HN 0.726 nan 8.230 nan 0.000 0.489 172 Y N 1.335 121.604 120.300 -0.051 0.000 2.145 172 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 172 Y C 2.234 178.107 175.900 -0.046 0.000 1.145 172 Y CA 1.568 59.631 58.100 -0.061 0.000 1.148 172 Y CB -0.428 37.976 38.460 -0.094 0.000 0.981 172 Y HN 0.215 nan 8.280 nan 0.000 0.507 173 L N -0.294 121.011 121.223 0.136 0.000 2.079 173 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 173 L C 2.438 179.285 176.870 -0.039 0.000 1.081 173 L CA 1.259 56.128 54.840 0.048 0.000 0.752 173 L CB -0.623 41.487 42.059 0.085 0.000 0.896 173 L HN 0.337 nan 8.230 nan 0.000 0.433 174 L N -1.179 120.030 121.223 -0.023 0.000 2.046 174 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 174 L C 2.498 179.323 176.870 -0.075 0.000 1.077 174 L CA 0.892 55.715 54.840 -0.029 0.000 0.747 174 L CB -0.569 41.489 42.059 -0.002 0.000 0.896 174 L HN 0.085 nan 8.230 nan 0.000 0.432 175 V N -0.154 119.682 119.914 -0.130 0.000 2.358 175 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 175 V C 2.705 178.680 176.094 -0.198 0.000 1.047 175 V CA 2.323 64.522 62.300 -0.168 0.000 1.035 175 V CB -0.907 30.789 31.823 -0.211 0.000 0.658 175 V HN 0.665 nan 8.190 nan 0.000 0.452 176 T N -1.976 112.409 114.554 -0.281 0.000 2.951 176 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 176 T C 1.859 176.491 174.700 -0.112 0.000 1.073 176 T CA 0.986 62.944 62.100 -0.236 0.000 1.134 176 T CB -0.316 68.363 68.868 -0.315 0.000 0.884 176 T HN 0.339 nan 8.240 nan 0.000 0.479 177 L N -0.097 121.075 121.223 -0.084 0.000 2.056 177 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 177 L C 2.540 179.393 176.870 -0.029 0.000 1.078 177 L CA 0.804 55.620 54.840 -0.039 0.000 0.749 177 L CB -0.515 41.531 42.059 -0.023 0.000 0.901 177 L HN 0.252 nan 8.230 nan 0.000 0.433 178 L N -0.024 121.172 121.223 -0.044 0.000 2.046 178 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 178 L C 2.654 179.525 176.870 0.002 0.000 1.077 178 L CA 1.706 56.528 54.840 -0.031 0.000 0.747 178 L CB -0.461 41.562 42.059 -0.060 0.000 0.896 178 L HN 0.068 nan 8.230 nan 0.000 0.432 179 R N -0.513 119.965 120.500 -0.036 0.000 2.081 179 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 179 R C 2.320 178.687 176.300 0.113 0.000 1.131 179 R CA 1.631 57.723 56.100 -0.013 0.000 0.960 179 R CB -0.438 29.820 30.300 -0.070 0.000 0.856 179 R HN 0.562 nan 8.270 nan 0.000 0.436 180 E N 0.740 120.967 120.200 0.046 0.000 2.072 180 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 180 E C 1.261 177.876 176.600 0.026 0.000 0.982 180 E CA 0.898 57.319 56.400 0.036 0.000 0.803 180 E CB 0.231 29.931 29.700 -0.000 0.000 0.755 180 E HN 0.280 nan 8.360 nan 0.000 0.453 181 L N 0.346 121.581 121.223 0.020 0.000 2.728 181 L HA 0.131 4.471 4.340 -0.000 0.000 0.238 181 L C 1.714 178.554 176.870 -0.050 0.000 1.143 181 L CA 0.037 54.859 54.840 -0.030 0.000 0.937 181 L CB -0.117 41.928 42.059 -0.023 0.000 1.225 181 L HN 0.251 nan 8.230 nan 0.000 0.507 182 H N -1.813 117.223 119.070 -0.057 0.000 2.422 182 H HA -0.127 4.429 4.556 -0.000 0.000 0.298 182 H C 0.586 175.880 175.328 -0.058 0.000 1.098 182 H CA 1.557 57.566 56.048 -0.065 0.000 1.315 182 H CB -0.112 29.612 29.762 -0.064 0.000 1.382 182 H HN 0.120 nan 8.280 nan 0.000 0.523 183 D N 0.094 120.114 120.400 -0.634 0.000 2.593 183 D HA 0.413 5.053 4.640 -0.000 0.000 0.241 183 D C -0.258 175.904 176.300 -0.231 0.000 1.257 183 D CA 0.219 53.974 54.000 -0.408 0.000 0.828 183 D CB 0.521 41.020 40.800 -0.502 0.000 1.049 183 D HN 0.616 nan 8.370 nan 0.000 0.490 184 A N 0.288 123.003 122.820 -0.174 0.000 2.304 184 A HA 0.448 4.768 4.320 -0.000 0.000 0.301 184 A C 0.171 177.709 177.584 -0.076 0.000 1.132 184 A CA -0.455 51.517 52.037 -0.108 0.000 0.819 184 A CB 0.850 19.800 19.000 -0.083 0.000 1.094 184 A HN 0.059 nan 8.150 nan 0.000 0.492 185 E N 0.911 121.077 120.200 -0.056 0.000 2.130 185 E HA 0.429 4.779 4.350 -0.000 0.000 0.284 185 E C -1.407 175.177 176.600 -0.027 0.000 1.018 185 E CA -0.321 56.055 56.400 -0.040 0.000 0.817 185 E CB 0.524 30.204 29.700 -0.033 0.000 1.078 185 E HN 0.403 nan 8.360 nan 0.000 0.396 186 L N 5.825 127.034 121.223 -0.022 0.000 2.354 186 L HA 0.378 4.718 4.340 -0.000 0.000 0.269 186 L C -1.680 175.190 176.870 -0.001 0.000 1.005 186 L CA -2.209 52.625 54.840 -0.009 0.000 0.819 186 L CB 1.389 43.442 42.059 -0.011 0.000 1.311 186 L HN 0.477 nan 8.230 nan 0.000 0.423 187 P HA 0.154 nan 4.420 nan 0.000 0.249 187 P C -0.338 176.970 177.300 0.013 0.000 1.229 187 P CA 0.335 63.441 63.100 0.011 0.000 0.788 187 P CB 0.809 32.520 31.700 0.017 0.000 1.072 188 A N -0.054 122.777 122.820 0.019 0.000 2.413 188 A HA 0.477 4.797 4.320 -0.000 0.000 0.307 188 A C -0.708 176.893 177.584 0.030 0.000 1.087 188 A CA -0.717 51.338 52.037 0.029 0.000 0.750 188 A CB 1.312 20.337 19.000 0.041 0.000 1.296 188 A HN -0.024 nan 8.150 nan 0.000 0.423 189 E N 1.298 121.531 120.200 0.055 0.000 2.152 189 E HA 0.460 4.810 4.350 -0.000 0.000 0.285 189 E C -1.209 175.450 176.600 0.098 0.000 1.043 189 E CA -0.269 56.165 56.400 0.057 0.000 0.839 189 E CB 0.677 30.450 29.700 0.122 0.000 1.069 189 E HN 0.371 nan 8.360 nan 0.000 0.399 190 V N 5.706 125.612 119.914 -0.012 0.000 2.394 190 V HA 0.257 4.377 4.120 -0.000 0.000 0.282 190 V C -0.734 175.300 176.094 -0.101 0.000 1.031 190 V CA -0.571 61.741 62.300 0.019 0.000 0.881 190 V CB 0.543 32.361 31.823 -0.008 0.000 0.982 190 V HN 0.665 nan 8.190 nan 0.000 0.451 191 W N 5.126 126.428 121.300 0.003 0.000 2.475 191 W HA 0.674 5.334 4.660 -0.000 0.000 0.317 191 W C -0.476 176.044 176.519 0.001 0.000 1.046 191 W CA -0.506 56.836 57.345 -0.004 0.000 1.215 191 W CB 1.323 30.780 29.460 -0.004 0.000 1.335 191 W HN 0.337 nan 8.180 nan 0.000 0.471 192 L N 4.781 126.090 121.223 0.143 0.000 2.265 192 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 192 L C -0.365 176.579 176.870 0.123 0.000 1.033 192 L CA -0.963 53.935 54.840 0.097 0.000 0.814 192 L CB 0.577 42.650 42.059 0.023 0.000 1.203 192 L HN 0.041 nan 8.230 nan 0.000 0.423 193 V N 2.866 122.855 119.914 0.124 0.000 2.444 193 V HA 0.581 4.701 4.120 -0.000 0.000 0.294 193 V C 0.138 176.291 176.094 0.099 0.000 1.022 193 V CA -0.532 61.840 62.300 0.121 0.000 0.850 193 V CB 1.771 33.668 31.823 0.123 0.000 0.992 193 V HN 0.811 nan 8.190 nan 0.000 0.426 194 A N 3.951 126.828 122.820 0.095 0.000 2.273 194 A HA 0.719 5.039 4.320 -0.000 0.000 0.320 194 A C 0.386 178.040 177.584 0.116 0.000 1.358 194 A CA -0.342 51.754 52.037 0.098 0.000 0.910 194 A CB 0.525 19.576 19.000 0.084 0.000 1.159 194 A HN 0.971 nan 8.150 nan 0.000 0.526 195 S N 2.050 117.828 115.700 0.129 0.000 2.632 195 S HA 0.616 5.086 4.470 -0.000 0.000 0.271 195 S C 0.388 175.065 174.600 0.129 0.000 1.260 195 S CA -0.239 58.036 58.200 0.124 0.000 1.010 195 S CB 1.398 64.668 63.200 0.116 0.000 0.965 195 S HN 0.898 nan 8.310 nan 0.000 0.534 196 S N 0.999 116.760 115.700 0.101 0.000 2.585 196 S HA 0.460 4.930 4.470 -0.000 0.000 0.277 196 S C 0.286 174.921 174.600 0.060 0.000 1.241 196 S CA -0.048 58.203 58.200 0.084 0.000 1.041 196 S CB -0.198 63.043 63.200 0.069 0.000 0.987 196 S HN 1.440 nan 8.310 nan 0.000 0.512 197 S N 1.874 117.603 115.700 0.048 0.000 3.641 197 S HA -0.133 4.337 4.470 -0.000 0.000 0.346 197 S C 0.663 175.245 174.600 -0.030 0.000 1.074 197 S CA 1.113 59.319 58.200 0.010 0.000 1.026 197 S CB -1.603 61.601 63.200 0.007 0.000 0.908 197 S HN 0.825 nan 8.310 nan 0.000 0.479 198 E N 1.176 121.332 120.200 -0.073 0.000 2.208 198 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 198 E C 1.928 178.389 176.600 -0.231 0.000 0.988 198 E CA 0.875 57.156 56.400 -0.199 0.000 0.828 198 E CB 0.030 29.483 29.700 -0.412 0.000 0.763 198 E HN 0.532 nan 8.360 nan 0.000 0.478 199 E N -0.399 119.674 120.200 -0.211 0.000 2.338 199 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 199 E C 1.743 178.287 176.600 -0.093 0.000 1.007 199 E CA 1.005 57.313 56.400 -0.153 0.000 0.849 199 E CB 0.130 29.749 29.700 -0.135 0.000 0.774 199 E HN 0.329 nan 8.360 nan 0.000 0.506 200 V N -4.037 115.834 119.914 -0.071 0.000 3.649 200 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 200 V C 1.062 177.138 176.094 -0.030 0.000 1.281 200 V CA 0.696 62.969 62.300 -0.046 0.000 1.143 200 V CB 0.409 32.210 31.823 -0.036 0.000 0.892 200 V HN 0.181 nan 8.190 nan 0.000 0.441 201 G N 1.406 110.185 108.800 -0.036 0.000 2.070 201 G HA2 0.152 4.112 3.960 -0.000 0.000 0.076 201 G HA3 0.152 4.112 3.960 -0.000 0.000 0.076 201 G C -0.212 174.677 174.900 -0.020 0.000 0.735 201 G CA -0.055 45.034 45.100 -0.018 0.000 1.158 201 G HN 1.104 nan 8.290 nan 0.000 0.393 202 L N -1.434 119.782 121.223 -0.011 0.000 2.416 202 L HA 0.581 4.920 4.340 -0.000 0.000 0.274 202 L C 0.539 177.412 176.870 0.005 0.000 1.435 202 L CA -0.661 54.180 54.840 0.001 0.000 0.668 202 L CB 0.304 42.374 42.059 0.018 0.000 0.928 202 L HN 0.425 nan 8.230 nan 0.000 0.519 203 R N 0.685 121.186 120.500 0.000 0.000 2.040 203 R HA 0.292 4.632 4.340 -0.000 0.000 0.209 203 R C 2.009 178.318 176.300 0.016 0.000 1.281 203 R CA 0.905 57.009 56.100 0.006 0.000 1.064 203 R CB -0.346 29.955 30.300 0.001 0.000 0.950 203 R HN 0.494 nan 8.270 nan 0.000 0.462 204 G N 0.797 109.612 108.800 0.025 0.000 2.450 204 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 204 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 204 G C 1.469 176.395 174.900 0.044 0.000 1.130 204 G CA 0.986 46.111 45.100 0.042 0.000 0.760 204 G HN 0.436 nan 8.290 nan 0.000 0.557 205 G N 0.215 109.041 108.800 0.043 0.000 2.514 205 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 205 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 205 G C 1.641 176.560 174.900 0.031 0.000 1.198 205 G CA 1.313 46.442 45.100 0.048 0.000 0.780 205 G HN 0.498 nan 8.290 nan 0.000 0.565 206 Q N -0.170 119.642 119.800 0.020 0.000 1.998 206 Q HA -0.206 4.134 4.340 -0.000 0.000 0.209 206 Q C 2.975 178.975 176.000 -0.001 0.000 1.002 206 Q CA 2.935 58.741 55.803 0.005 0.000 0.858 206 Q CB -0.391 28.348 28.738 0.001 0.000 0.932 206 Q HN 0.641 nan 8.270 nan 0.000 0.416 207 T N -1.979 112.578 114.554 0.005 0.000 2.821 207 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 207 T C 1.850 176.548 174.700 -0.003 0.000 1.046 207 T CA 1.127 63.228 62.100 0.002 0.000 1.139 207 T CB -0.452 68.423 68.868 0.012 0.000 0.871 207 T HN 0.351 nan 8.240 nan 0.000 0.454 208 A N 1.698 124.524 122.820 0.009 0.000 1.898 208 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 208 A C 2.631 180.193 177.584 -0.037 0.000 1.181 208 A CA 2.022 54.060 52.037 0.001 0.000 0.620 208 A CB -1.469 17.551 19.000 0.034 0.000 0.819 208 A HN 0.553 nan 8.150 nan 0.000 0.442 209 T N -0.263 114.277 114.554 -0.022 0.000 2.746 209 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 209 T C 2.038 176.697 174.700 -0.069 0.000 1.039 209 T CA 1.504 63.581 62.100 -0.038 0.000 1.142 209 T CB -0.236 68.626 68.868 -0.009 0.000 0.866 209 T HN 0.488 nan 8.240 nan 0.000 0.444 210 R N 0.807 121.273 120.500 -0.056 0.000 2.092 210 R HA 0.063 4.403 4.340 -0.000 0.000 0.231 210 R C 2.828 179.071 176.300 -0.094 0.000 1.119 210 R CA 1.201 57.262 56.100 -0.065 0.000 0.970 210 R CB -0.436 29.838 30.300 -0.044 0.000 0.864 210 R HN 0.372 nan 8.270 nan 0.000 0.440 211 A N 0.524 123.283 122.820 -0.102 0.000 1.933 211 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 211 A C 2.274 179.697 177.584 -0.269 0.000 1.175 211 A CA 1.295 53.247 52.037 -0.142 0.000 0.628 211 A CB -0.263 18.674 19.000 -0.105 0.000 0.814 211 A HN 0.114 nan 8.150 nan 0.000 0.444 212 V N -0.749 118.972 119.914 -0.322 0.000 2.446 212 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 212 V C 1.032 176.895 176.094 -0.384 0.000 1.039 212 V CA 1.140 63.111 62.300 -0.547 0.000 1.045 212 V CB -0.865 30.659 31.823 -0.499 0.000 0.681 212 V HN 0.590 nan 8.190 nan 0.000 0.459 213 S N 0.737 116.307 115.700 -0.217 0.000 3.572 213 S HA -0.102 4.368 4.470 -0.000 0.000 0.394 213 S C -1.939 172.594 174.600 -0.113 0.000 0.923 213 S CA 0.216 58.335 58.200 -0.135 0.000 1.291 213 S CB -1.305 61.826 63.200 -0.115 0.000 0.914 213 S HN 0.589 nan 8.310 nan 0.000 0.545 214 P HA 0.349 nan 4.420 nan 0.000 0.276 214 P C 0.439 177.733 177.300 -0.011 0.000 1.252 214 P CA -0.364 62.714 63.100 -0.038 0.000 0.802 214 P CB 0.686 32.383 31.700 -0.006 0.000 1.035 215 D N -0.856 119.547 120.400 0.006 0.000 2.271 215 D HA 0.083 4.723 4.640 -0.000 0.000 0.206 215 D C 0.281 176.586 176.300 0.008 0.000 0.967 215 D CA 1.070 55.072 54.000 0.003 0.000 0.867 215 D CB 0.487 41.285 40.800 -0.003 0.000 0.960 215 D HN 0.100 nan 8.370 nan 0.000 0.509 216 V N 0.147 120.073 119.914 0.020 0.000 3.012 216 V HA 0.686 4.806 4.120 -0.000 0.000 0.307 216 V C -0.929 175.196 176.094 0.052 0.000 1.166 216 V CA -1.137 61.180 62.300 0.028 0.000 0.974 216 V CB 2.201 34.031 31.823 0.012 0.000 1.040 216 V HN 0.063 nan 8.190 nan 0.000 0.428 217 A N 4.164 127.021 122.820 0.062 0.000 2.393 217 A HA 0.934 5.254 4.320 -0.000 0.000 0.306 217 A C -1.152 176.478 177.584 0.077 0.000 1.050 217 A CA -0.492 51.589 52.037 0.073 0.000 0.724 217 A CB 1.287 20.329 19.000 0.070 0.000 1.248 217 A HN 0.759 nan 8.150 nan 0.000 0.424 218 I N 2.673 123.293 120.570 0.083 0.000 2.355 218 I HA 0.333 4.503 4.170 -0.000 0.000 0.288 218 I C -0.673 175.492 176.117 0.080 0.000 0.999 218 I CA -0.843 60.504 61.300 0.079 0.000 1.163 218 I CB 1.779 39.829 38.000 0.083 0.000 1.316 218 I HN 0.303 nan 8.210 nan 0.000 0.454 219 V N 7.557 127.517 119.914 0.077 0.000 2.407 219 V HA 0.352 4.472 4.120 -0.000 0.000 0.278 219 V C 0.159 176.308 176.094 0.092 0.000 1.037 219 V CA -0.479 61.876 62.300 0.091 0.000 0.900 219 V CB 1.563 33.444 31.823 0.097 0.000 0.983 219 V HN 0.470 nan 8.190 nan 0.000 0.459 220 L N 5.180 126.462 121.223 0.099 0.000 2.272 220 L HA 0.677 5.017 4.340 -0.000 0.000 0.289 220 L C -0.397 176.544 176.870 0.118 0.000 1.032 220 L CA -0.042 54.853 54.840 0.092 0.000 0.810 220 L CB 1.267 43.368 42.059 0.070 0.000 1.205 220 L HN 0.574 nan 8.230 nan 0.000 0.422 221 D N 0.488 120.971 120.400 0.137 0.000 2.615 221 D HA 0.496 5.136 4.640 -0.000 0.000 0.267 221 D C -0.916 175.487 176.300 0.172 0.000 1.236 221 D CA -0.130 53.978 54.000 0.180 0.000 0.839 221 D CB 2.597 43.557 40.800 0.267 0.000 1.380 221 D HN 0.522 nan 8.370 nan 0.000 0.433 222 T N -1.604 113.052 114.554 0.170 0.000 2.926 222 T HA 0.961 5.311 4.350 -0.000 0.000 0.289 222 T C -0.675 174.090 174.700 0.108 0.000 1.054 222 T CA -0.651 61.533 62.100 0.139 0.000 1.015 222 T CB 1.864 70.798 68.868 0.111 0.000 1.167 222 T HN 0.552 nan 8.240 nan 0.000 0.526 223 A N -0.062 122.792 122.820 0.057 0.000 2.604 223 A HA 0.736 5.056 4.320 -0.000 0.000 0.295 223 A C -0.268 177.296 177.584 -0.033 0.000 1.067 223 A CA -0.689 51.296 52.037 -0.088 0.000 0.683 223 A CB 0.692 19.519 19.000 -0.288 0.000 1.281 223 A HN 1.877 nan 8.150 nan 0.000 0.407 224 C N -0.915 118.337 119.300 -0.080 0.000 2.667 224 C HA 0.882 5.342 4.460 -0.000 0.000 0.323 224 C C -0.193 174.833 174.990 0.060 0.000 1.214 224 C CA -0.992 58.014 59.018 -0.019 0.000 1.721 224 C CB 1.021 28.712 27.740 -0.083 0.000 2.275 224 C HN 0.951 nan 8.230 nan 0.000 0.491 225 W N 2.071 123.296 121.300 -0.125 0.000 2.316 225 W HA 0.453 5.113 4.660 0.000 0.000 0.311 225 W C 0.900 177.354 176.519 -0.108 0.000 1.217 225 W CA 0.074 57.363 57.345 -0.094 0.000 1.199 225 W CB 1.759 31.182 29.460 -0.061 0.000 1.202 225 W HN 1.119 nan 8.180 nan 0.000 0.528 226 A N 5.327 127.816 122.820 -0.551 0.000 1.908 226 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 226 A C 1.108 178.516 177.584 -0.292 0.000 1.181 226 A CA 1.308 53.099 52.037 -0.411 0.000 0.627 226 A CB -0.218 18.506 19.000 -0.459 0.000 0.818 226 A HN 0.448 nan 8.150 nan 0.000 0.445 227 K N 1.216 121.399 120.400 -0.363 0.000 2.150 227 K HA 0.099 4.419 4.320 -0.000 0.000 0.261 227 K C 0.115 176.788 176.600 0.122 0.000 1.127 227 K CA -0.126 56.131 56.287 -0.049 0.000 0.989 227 K CB 0.366 32.892 32.500 0.043 0.000 1.475 227 K HN 0.410 nan 8.250 nan 0.000 0.391 228 N N 1.520 120.207 118.700 -0.022 0.000 2.061 228 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 228 N C 0.438 175.806 175.510 -0.236 0.000 1.030 228 N CA 1.685 54.613 53.050 -0.203 0.000 0.856 228 N CB -0.013 38.202 38.487 -0.454 0.000 1.023 228 N HN 0.380 nan 8.380 nan 0.000 0.424 229 F N -0.685 119.282 119.950 0.028 0.000 2.660 229 F HA 0.208 4.735 4.527 -0.000 0.000 0.302 229 F C 0.183 175.758 175.800 -0.375 0.000 1.103 229 F CA -0.555 57.327 58.000 -0.197 0.000 1.340 229 F CB 0.055 38.921 39.000 -0.223 0.000 1.048 229 F HN -0.044 nan 8.300 nan 0.000 0.551 230 D N 0.040 120.483 120.400 0.071 0.000 2.374 230 D HA -0.042 4.598 4.640 -0.000 0.000 0.240 230 D C 0.045 176.440 176.300 0.158 0.000 1.229 230 D CA 0.043 54.093 54.000 0.084 0.000 0.895 230 D CB 0.167 41.101 40.800 0.224 0.000 1.046 230 D HN 0.099 nan 8.370 nan 0.000 0.498 231 Y N 2.224 122.529 120.300 0.008 0.000 2.532 231 Y HA 0.344 4.894 4.550 0.000 0.000 0.283 231 Y C 1.581 177.416 175.900 -0.108 0.000 1.181 231 Y CA -0.855 57.206 58.100 -0.064 0.000 1.256 231 Y CB -0.230 38.215 38.460 -0.026 0.000 1.112 231 Y HN 0.341 nan 8.280 nan 0.000 0.521 232 G N 0.048 108.865 108.800 0.029 0.000 2.631 232 G HA2 0.271 4.231 3.960 -0.000 0.000 0.271 232 G HA3 0.271 4.231 3.960 -0.000 0.000 0.271 232 G C 1.164 175.976 174.900 -0.146 0.000 1.302 232 G CA 0.112 45.191 45.100 -0.035 0.000 1.002 232 G HN 0.337 nan 8.290 nan 0.000 0.519 233 A N -0.738 122.004 122.820 -0.130 0.000 2.121 233 A HA 0.261 4.581 4.320 -0.000 0.000 0.218 233 A C 2.500 179.878 177.584 -0.343 0.000 1.154 233 A CA 2.034 53.956 52.037 -0.192 0.000 0.679 233 A CB -0.430 18.529 19.000 -0.067 0.000 0.795 233 A HN 1.170 nan 8.150 nan 0.000 0.458 234 A N -0.201 122.450 122.820 -0.280 0.000 2.067 234 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 234 A C 1.149 178.215 177.584 -0.864 0.000 1.156 234 A CA 0.591 52.447 52.037 -0.302 0.000 0.683 234 A CB -0.310 18.687 19.000 -0.004 0.000 0.808 234 A HN 0.441 nan 8.150 nan 0.000 0.455 235 N N 0.908 118.998 118.700 -1.017 0.000 2.439 235 N HA 0.047 4.787 4.740 -0.000 0.000 0.243 235 N C -0.402 174.542 175.510 -0.944 0.000 1.088 235 N CA -0.088 52.126 53.050 -1.394 0.000 0.940 235 N CB -0.065 37.833 38.487 -0.982 0.000 1.180 235 N HN 0.363 nan 8.380 nan 0.000 0.505 236 H N 3.519 122.259 119.070 -0.550 0.000 2.503 236 H HA 0.249 4.805 4.556 -0.000 0.000 0.296 236 H C 0.006 175.250 175.328 -0.139 0.000 1.097 236 H CA 0.033 55.930 56.048 -0.251 0.000 1.055 236 H CB 0.629 30.291 29.762 -0.166 0.000 1.580 236 H HN 0.476 nan 8.280 nan 0.000 0.546 237 R N 0.904 121.342 120.500 -0.103 0.000 2.734 237 R HA 0.169 4.509 4.340 -0.000 0.000 0.395 237 R C -0.332 175.937 176.300 -0.052 0.000 1.096 237 R CA -0.187 55.916 56.100 0.004 0.000 1.071 237 R CB 0.969 31.341 30.300 0.120 0.000 1.348 237 R HN 0.207 nan 8.270 nan 0.000 0.600 238 Q N 2.017 121.747 119.800 -0.117 0.000 2.294 238 Q HA 0.278 4.618 4.340 -0.000 0.000 0.257 238 Q C 0.368 176.288 176.000 -0.133 0.000 0.955 238 Q CA -0.415 55.291 55.803 -0.161 0.000 0.936 238 Q CB 1.681 30.271 28.738 -0.247 0.000 1.188 238 Q HN 0.394 nan 8.270 nan 0.000 0.420 239 I N -0.775 119.721 120.570 -0.124 0.000 2.710 239 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 239 I C 0.976 177.024 176.117 -0.115 0.000 1.181 239 I CA 0.682 61.929 61.300 -0.089 0.000 1.430 239 I CB 0.219 38.186 38.000 -0.055 0.000 1.367 239 I HN 0.861 nan 8.210 nan 0.000 0.577 240 G N 4.617 113.369 108.800 -0.081 0.000 2.217 240 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 240 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 240 G C 0.515 175.365 174.900 -0.084 0.000 0.990 240 G CA 0.329 45.380 45.100 -0.081 0.000 0.627 240 G HN 0.695 nan 8.290 nan 0.000 0.522 241 N N 1.511 120.156 118.700 -0.093 0.000 2.268 241 N HA 0.478 5.218 4.740 -0.000 0.000 0.204 241 N C 1.062 176.541 175.510 -0.051 0.000 1.124 241 N CA 1.742 54.744 53.050 -0.080 0.000 0.838 241 N CB 0.412 38.838 38.487 -0.101 0.000 0.994 241 N HN 1.685 nan 8.380 nan 0.000 0.489 242 G N 0.329 109.104 108.800 -0.042 0.000 2.663 242 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 242 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 242 G C -2.906 171.983 174.900 -0.018 0.000 1.288 242 G CA -1.174 43.908 45.100 -0.029 0.000 0.836 242 G HN -0.028 nan 8.290 nan 0.000 0.584 246 V N 6.382 126.234 119.914 -0.104 0.000 2.405 246 V HA 0.129 4.249 4.120 -0.000 0.000 0.264 246 V C 1.252 177.227 176.094 -0.200 0.000 1.048 246 V CA -0.325 61.838 62.300 -0.228 0.000 0.966 246 V CB 0.984 32.555 31.823 -0.420 0.000 1.015 246 V HN 0.737 nan 8.190 nan 0.000 0.477 247 L N 4.174 125.290 121.223 -0.178 0.000 2.179 247 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 247 L C 1.103 177.884 176.870 -0.147 0.000 1.096 247 L CA 1.241 56.001 54.840 -0.133 0.000 0.779 247 L CB -0.449 41.548 42.059 -0.104 0.000 0.922 247 L HN 0.969 nan 8.230 nan 0.000 0.443 248 S N -1.994 113.584 115.700 -0.204 0.000 2.578 248 S HA 0.622 5.092 4.470 -0.000 0.000 0.272 248 S C -1.335 173.116 174.600 -0.248 0.000 1.145 248 S CA -0.860 57.231 58.200 -0.180 0.000 0.835 248 S CB 2.210 65.357 63.200 -0.088 0.000 1.104 248 S HN 0.159 nan 8.310 nan 0.000 0.458 249 D N 0.045 120.352 120.400 -0.154 0.000 2.812 249 D HA 0.506 5.146 4.640 -0.000 0.000 0.318 249 D C 0.318 176.646 176.300 0.046 0.000 1.234 249 D CA -0.848 53.135 54.000 -0.028 0.000 0.989 249 D CB 0.235 41.020 40.800 -0.024 0.000 1.442 249 D HN 0.233 nan 8.370 nan 0.000 0.537 250 K N -0.364 120.101 120.400 0.108 0.000 2.283 250 K HA -0.005 4.315 4.320 -0.000 0.000 0.202 250 K C 1.601 178.243 176.600 0.070 0.000 1.048 250 K CA 1.389 57.726 56.287 0.083 0.000 0.948 250 K CB -0.436 32.118 32.500 0.090 0.000 0.742 250 K HN 0.552 nan 8.250 nan 0.000 0.458 251 S N -0.580 115.165 115.700 0.075 0.000 2.511 251 S HA 0.163 4.633 4.470 -0.000 0.000 0.214 251 S C 0.418 175.072 174.600 0.090 0.000 0.997 251 S CA -0.477 57.779 58.200 0.094 0.000 0.908 251 S CB 0.153 63.417 63.200 0.107 0.000 0.803 251 S HN 0.113 nan 8.310 nan 0.000 0.504 252 L N 1.397 122.604 121.223 -0.027 0.000 2.526 252 L HA 0.559 4.899 4.340 -0.000 0.000 0.263 252 L C -2.003 174.763 176.870 -0.173 0.000 0.943 252 L CA -0.728 53.988 54.840 -0.206 0.000 0.859 252 L CB 1.855 43.720 42.059 -0.323 0.000 1.313 252 L HN 0.066 nan 8.230 nan 0.000 0.406 253 I N 4.754 125.223 120.570 -0.168 0.000 2.306 253 I HA 0.499 4.669 4.170 -0.000 0.000 0.288 253 I C 0.916 176.954 176.117 -0.132 0.000 1.036 253 I CA -0.499 60.731 61.300 -0.117 0.000 1.221 253 I CB 0.831 38.797 38.000 -0.057 0.000 1.385 253 I HN 0.836 nan 8.210 nan 0.000 0.472 254 A N 9.371 132.118 122.820 -0.123 0.000 2.555 254 A HA 0.349 4.669 4.320 -0.000 0.000 0.233 254 A C -2.174 175.389 177.584 -0.036 0.000 1.060 254 A CA -0.530 51.454 52.037 -0.089 0.000 0.759 254 A CB -0.723 18.231 19.000 -0.076 0.000 0.995 254 A HN 0.515 nan 8.150 nan 0.000 0.506 255 P HA 0.253 nan 4.420 nan 0.000 0.276 255 P C -2.126 175.192 177.300 0.029 0.000 1.243 255 P CA -1.385 61.737 63.100 0.037 0.000 0.768 255 P CB 0.481 32.217 31.700 0.061 0.000 0.856 256 P HA -0.210 nan 4.420 nan 0.000 0.217 256 P C 1.279 178.596 177.300 0.029 0.000 1.151 256 P CA 1.804 64.919 63.100 0.024 0.000 0.849 256 P CB 0.008 31.724 31.700 0.026 0.000 0.787 257 K N -1.248 119.162 120.400 0.018 0.000 2.097 257 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 257 K C 1.949 178.583 176.600 0.056 0.000 1.050 257 K CA 1.001 57.292 56.287 0.007 0.000 0.938 257 K CB -0.770 31.689 32.500 -0.068 0.000 0.718 257 K HN 0.084 nan 8.250 nan 0.000 0.442 258 L N 1.233 122.489 121.223 0.055 0.000 2.072 258 L HA -0.147 4.193 4.340 -0.000 0.000 0.205 258 L C 2.507 179.470 176.870 0.155 0.000 1.079 258 L CA 2.113 57.023 54.840 0.117 0.000 0.752 258 L CB -0.951 41.153 42.059 0.075 0.000 0.906 258 L HN 0.292 nan 8.230 nan 0.000 0.436 259 T N -2.846 111.756 114.554 0.080 0.000 2.746 259 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 259 T C 1.943 176.675 174.700 0.053 0.000 1.039 259 T CA 1.185 63.315 62.100 0.050 0.000 1.142 259 T CB -0.861 68.011 68.868 0.006 0.000 0.866 259 T HN 0.329 nan 8.240 nan 0.000 0.444 260 A N 0.613 123.473 122.820 0.066 0.000 1.908 260 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 260 A C 2.087 179.733 177.584 0.103 0.000 1.181 260 A CA 1.766 53.841 52.037 0.064 0.000 0.627 260 A CB -1.541 17.496 19.000 0.061 0.000 0.818 260 A HN 0.793 nan 8.150 nan 0.000 0.445 261 W N 0.547 121.830 121.300 -0.027 0.000 2.355 261 W HA -0.152 4.508 4.660 -0.000 0.000 0.309 261 W C 1.843 178.350 176.519 -0.021 0.000 1.206 261 W CA 1.847 59.177 57.345 -0.025 0.000 1.284 261 W CB -0.416 29.028 29.460 -0.027 0.000 1.145 261 W HN 0.303 nan 8.180 nan 0.000 0.502 262 I N 0.607 121.135 120.570 -0.070 0.000 2.208 262 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 262 I C 2.272 178.251 176.117 -0.230 0.000 1.097 262 I CA 1.940 63.087 61.300 -0.255 0.000 1.363 262 I CB -0.650 37.314 38.000 -0.060 0.000 1.051 262 I HN 0.049 nan 8.210 nan 0.000 0.413 263 E N 0.206 120.332 120.200 -0.124 0.000 2.085 263 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 263 E C 2.206 178.726 176.600 -0.135 0.000 0.994 263 E CA 2.122 58.459 56.400 -0.105 0.000 0.801 263 E CB -0.202 29.463 29.700 -0.058 0.000 0.743 263 E HN 0.627 nan 8.360 nan 0.000 0.453 264 T N -1.218 113.240 114.554 -0.160 0.000 2.821 264 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 264 T C 2.080 176.643 174.700 -0.228 0.000 1.046 264 T CA 1.087 63.093 62.100 -0.157 0.000 1.139 264 T CB -0.481 68.326 68.868 -0.103 0.000 0.871 264 T HN -0.031 nan 8.240 nan 0.000 0.454 265 V N 2.424 122.100 119.914 -0.396 0.000 2.295 265 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 265 V C 3.333 179.284 176.094 -0.240 0.000 1.049 265 V CA 1.744 63.808 62.300 -0.394 0.000 1.024 265 V CB -1.540 29.895 31.823 -0.646 0.000 0.648 265 V HN 0.705 nan 8.190 nan 0.000 0.447 266 A N 0.010 122.703 122.820 -0.212 0.000 1.902 266 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 266 A C 2.430 179.952 177.584 -0.103 0.000 1.181 266 A CA 2.160 54.115 52.037 -0.137 0.000 0.623 266 A CB -0.827 18.105 19.000 -0.114 0.000 0.818 266 A HN 0.583 nan 8.150 nan 0.000 0.443 267 A N -0.469 122.290 122.820 -0.101 0.000 1.902 267 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 267 A C 2.044 179.586 177.584 -0.069 0.000 1.181 267 A CA 1.818 53.810 52.037 -0.074 0.000 0.623 267 A CB -0.558 18.402 19.000 -0.066 0.000 0.818 267 A HN 0.673 nan 8.150 nan 0.000 0.443 268 E N 0.091 120.241 120.200 -0.085 0.000 2.085 268 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 268 E C 1.807 178.370 176.600 -0.062 0.000 0.994 268 E CA 1.649 58.007 56.400 -0.070 0.000 0.801 268 E CB -0.242 29.410 29.700 -0.080 0.000 0.743 268 E HN 0.810 nan 8.360 nan 0.000 0.453 269 I N -3.698 116.828 120.570 -0.072 0.000 3.684 269 I HA 0.336 4.506 4.170 -0.000 0.000 0.304 269 I C 1.150 177.238 176.117 -0.048 0.000 1.278 269 I CA 0.617 61.882 61.300 -0.058 0.000 1.272 269 I CB 0.364 38.325 38.000 -0.065 0.000 1.029 269 I HN 0.179 nan 8.210 nan 0.000 0.458 270 G N 1.720 110.490 108.800 -0.050 0.000 2.160 270 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 270 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 270 G C 0.003 174.879 174.900 -0.040 0.000 1.022 270 G CA 0.138 45.213 45.100 -0.041 0.000 0.741 270 G HN 0.308 nan 8.290 nan 0.000 0.508 271 V N 2.550 122.435 119.914 -0.048 0.000 2.385 271 V HA 0.452 4.572 4.120 -0.000 0.000 0.269 271 V C -1.226 174.841 176.094 -0.045 0.000 1.043 271 V CA -1.372 60.901 62.300 -0.044 0.000 0.906 271 V CB 1.463 33.258 31.823 -0.047 0.000 0.995 271 V HN 0.257 nan 8.190 nan 0.000 0.467 272 P HA 0.381 nan 4.420 nan 0.000 0.275 272 P C -0.928 176.352 177.300 -0.033 0.000 1.228 272 P CA -0.249 62.830 63.100 -0.035 0.000 0.786 272 P CB 1.053 32.734 31.700 -0.032 0.000 0.927 273 L N 1.985 123.189 121.223 -0.031 0.000 2.354 273 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 273 L C 0.408 177.269 176.870 -0.014 0.000 1.005 273 L CA -0.737 54.086 54.840 -0.027 0.000 0.819 273 L CB 2.003 44.039 42.059 -0.038 0.000 1.311 273 L HN 0.261 nan 8.230 nan 0.000 0.423 274 Q N 2.053 121.852 119.800 -0.002 0.000 2.347 274 Q HA 0.536 4.876 4.340 -0.000 0.000 0.262 274 Q C -0.527 175.467 176.000 -0.010 0.000 0.980 274 Q CA -0.612 55.208 55.803 0.028 0.000 0.867 274 Q CB 2.234 31.003 28.738 0.052 0.000 1.242 274 Q HN 0.678 nan 8.270 nan 0.000 0.453 275 A N 3.125 125.894 122.820 -0.084 0.000 2.310 275 A HA 0.318 4.638 4.320 -0.000 0.000 0.300 275 A C -0.684 176.772 177.584 -0.214 0.000 1.269 275 A CA -0.138 51.811 52.037 -0.146 0.000 0.909 275 A CB 0.282 19.180 19.000 -0.171 0.000 1.144 275 A HN 0.698 nan 8.150 nan 0.000 0.540 279 S N 0.031 115.875 115.700 0.240 0.000 2.478 279 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 279 S C 0.739 175.394 174.600 0.093 0.000 1.008 279 S CA 0.778 59.058 58.200 0.133 0.000 0.928 279 S CB 0.363 63.617 63.200 0.091 0.000 0.781 279 S HN 0.606 nan 8.310 nan 0.000 0.518 280 N N 1.132 119.882 118.700 0.082 0.000 2.486 280 N HA 0.225 4.965 4.740 -0.000 0.000 0.242 280 N C 0.898 176.448 175.510 0.067 0.000 1.083 280 N CA 0.651 53.727 53.050 0.044 0.000 0.844 280 N CB -0.676 37.804 38.487 -0.012 0.000 1.527 280 N HN 0.436 nan 8.380 nan 0.000 0.462 281 G N -0.151 108.694 108.800 0.076 0.000 2.491 281 G HA2 0.441 4.401 3.960 -0.000 0.000 0.238 281 G HA3 0.441 4.401 3.960 -0.000 0.000 0.238 281 G C -0.018 175.022 174.900 0.232 0.000 1.277 281 G CA 0.167 45.330 45.100 0.105 0.000 0.851 281 G HN 0.217 nan 8.290 nan 0.000 0.573 282 G N 0.486 109.395 108.800 0.181 0.000 2.744 282 G HA2 0.615 4.575 3.960 -0.000 0.000 0.286 282 G HA3 0.615 4.575 3.960 -0.000 0.000 0.286 282 G C -0.075 174.916 174.900 0.152 0.000 1.497 282 G CA 0.264 45.462 45.100 0.164 0.000 1.070 282 G HN 0.951 nan 8.290 nan 0.000 0.539 283 T N -1.243 113.413 114.554 0.170 0.000 2.797 283 T HA 0.405 4.755 4.350 -0.000 0.000 0.267 283 T C 0.806 175.573 174.700 0.110 0.000 0.986 283 T CA -0.163 62.030 62.100 0.156 0.000 0.999 283 T CB 1.455 70.462 68.868 0.232 0.000 1.508 283 T HN 0.153 nan 8.240 nan 0.000 0.595 284 D N 0.265 120.733 120.400 0.113 0.000 2.182 284 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 284 D C 2.221 178.587 176.300 0.110 0.000 0.986 284 D CA 1.655 55.716 54.000 0.101 0.000 0.847 284 D CB -0.847 40.032 40.800 0.132 0.000 0.942 284 D HN 0.744 nan 8.370 nan 0.000 0.467 285 G N 0.259 109.123 108.800 0.106 0.000 2.469 285 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 285 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 285 G C 1.617 176.630 174.900 0.189 0.000 1.136 285 G CA 1.272 46.427 45.100 0.092 0.000 0.759 285 G HN 0.422 nan 8.290 nan 0.000 0.562 286 G N 1.131 110.041 108.800 0.183 0.000 2.484 286 G HA2 0.020 3.980 3.960 -0.000 0.000 0.215 286 G HA3 0.020 3.980 3.960 -0.000 0.000 0.215 286 G C 2.099 177.132 174.900 0.221 0.000 1.219 286 G CA 1.739 47.004 45.100 0.276 0.000 0.791 286 G HN 0.670 nan 8.290 nan 0.000 0.550 287 A N -0.208 122.676 122.820 0.108 0.000 1.933 287 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 287 A C 2.628 180.225 177.584 0.023 0.000 1.175 287 A CA 1.888 53.945 52.037 0.034 0.000 0.628 287 A CB -0.676 18.341 19.000 0.028 0.000 0.814 287 A HN 0.279 nan 8.150 nan 0.000 0.444 288 V N 1.380 121.346 119.914 0.087 0.000 2.255 288 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 288 V C 2.642 178.784 176.094 0.079 0.000 1.051 288 V CA 2.220 64.568 62.300 0.080 0.000 1.018 288 V CB -1.141 30.742 31.823 0.101 0.000 0.641 288 V HN 0.938 nan 8.190 nan 0.000 0.445 289 H N -0.812 118.268 119.070 0.018 0.000 2.491 289 H HA -0.049 4.507 4.556 -0.000 0.000 0.290 289 H C 1.592 176.926 175.328 0.011 0.000 1.050 289 H CA 1.085 57.144 56.048 0.017 0.000 1.309 289 H CB -0.175 29.599 29.762 0.021 0.000 1.392 289 H HN 0.356 nan 8.280 nan 0.000 0.554 290 L N 2.179 123.108 121.223 -0.491 0.000 2.629 290 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 290 L C 0.282 177.053 176.870 -0.165 0.000 1.151 290 L CA 0.262 54.873 54.840 -0.381 0.000 0.924 290 L CB -0.360 41.459 42.059 -0.400 0.000 1.137 290 L HN 0.096 nan 8.230 nan 0.000 0.457 291 T N -0.055 114.438 114.554 -0.102 0.000 2.851 291 T HA 0.485 4.835 4.350 -0.000 0.000 0.298 291 T C 1.105 175.775 174.700 -0.049 0.000 0.977 291 T CA 0.507 62.572 62.100 -0.059 0.000 1.126 291 T CB 1.048 69.895 68.868 -0.035 0.000 0.916 291 T HN 0.564 nan 8.240 nan 0.000 0.529 292 G N 3.562 112.336 108.800 -0.044 0.000 2.622 292 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.307 292 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.307 292 G C 1.056 175.934 174.900 -0.036 0.000 1.226 292 G CA 0.745 45.824 45.100 -0.036 0.000 0.997 292 G HN 1.190 nan 8.290 nan 0.000 0.551 293 T N -0.738 113.801 114.554 -0.026 0.000 3.235 293 T HA 0.565 4.915 4.350 -0.000 0.000 0.251 293 T C 1.276 175.967 174.700 -0.015 0.000 1.060 293 T CA 1.138 63.224 62.100 -0.022 0.000 0.949 293 T CB -0.144 68.716 68.868 -0.013 0.000 1.020 293 T HN 2.673 nan 8.240 nan 0.000 0.564 294 G N 0.187 108.976 108.800 -0.018 0.000 3.069 294 G HA2 0.154 4.114 3.960 -0.000 0.000 0.686 294 G HA3 0.154 4.114 3.960 -0.000 0.000 0.686 294 G C -1.115 173.809 174.900 0.039 0.000 1.161 294 G CA -0.691 44.410 45.100 0.002 0.000 0.804 294 G HN 0.636 nan 8.290 nan 0.000 0.608 295 V N 4.240 124.194 119.914 0.067 0.000 2.483 295 V HA 0.545 4.665 4.120 -0.000 0.000 0.297 295 V C -1.969 174.195 176.094 0.118 0.000 1.027 295 V CA -1.648 60.698 62.300 0.077 0.000 0.855 295 V CB 2.316 34.175 31.823 0.060 0.000 0.995 295 V HN 0.668 nan 8.190 nan 0.000 0.424 296 P HA 0.189 nan 4.420 nan 0.000 0.261 296 P C -0.388 176.955 177.300 0.071 0.000 1.203 296 P CA 0.612 63.763 63.100 0.085 0.000 0.767 296 P CB 0.157 31.885 31.700 0.046 0.000 0.785 297 T N 4.402 118.995 114.554 0.065 0.000 2.916 297 T HA 0.672 5.022 4.350 -0.000 0.000 0.298 297 T C -0.335 174.371 174.700 0.009 0.000 1.031 297 T CA -0.649 61.483 62.100 0.052 0.000 0.993 297 T CB 0.932 69.849 68.868 0.082 0.000 1.045 297 T HN 0.277 nan 8.240 nan 0.000 0.454 298 L N 0.116 121.351 121.223 0.021 0.000 2.359 298 L HA 1.006 5.346 4.340 -0.000 0.000 0.256 298 L C -1.396 175.477 176.870 0.006 0.000 1.026 298 L CA -1.083 53.753 54.840 -0.007 0.000 0.828 298 L CB 1.436 43.494 42.059 -0.001 0.000 1.406 298 L HN 0.390 nan 8.230 nan 0.000 0.413 302 P HA 0.509 nan 4.420 nan 0.000 0.275 302 P C 0.237 177.562 177.300 0.042 0.000 1.227 302 P CA 0.037 63.150 63.100 0.021 0.000 0.781 302 P CB 1.340 33.033 31.700 -0.012 0.000 0.906 303 A N 3.052 125.894 122.820 0.036 0.000 2.425 303 A HA 0.528 4.848 4.320 -0.000 0.000 0.242 303 A C 0.642 178.248 177.584 0.037 0.000 1.077 303 A CA 0.239 52.301 52.037 0.042 0.000 0.781 303 A CB -0.427 18.585 19.000 0.022 0.000 1.020 303 A HN 0.687 nan 8.150 nan 0.000 0.494 304 T N -0.494 114.085 114.554 0.042 0.000 2.916 304 T HA 0.727 5.077 4.350 -0.000 0.000 0.292 304 T C -0.370 174.314 174.700 -0.026 0.000 1.064 304 T CA -0.896 61.237 62.100 0.056 0.000 1.011 304 T CB 1.269 70.213 68.868 0.126 0.000 1.152 304 T HN 0.637 nan 8.240 nan 0.000 0.510 305 R N 1.188 121.642 120.500 -0.076 0.000 2.474 305 R HA 0.595 4.935 4.340 -0.000 0.000 0.295 305 R C -0.122 176.000 176.300 -0.298 0.000 0.980 305 R CA -0.216 55.693 56.100 -0.318 0.000 0.934 305 R CB 0.255 30.287 30.300 -0.448 0.000 1.101 305 R HN 0.877 nan 8.270 nan 0.000 0.469 306 H N -0.531 118.495 119.070 -0.073 0.000 4.576 306 H HA -0.147 4.409 4.556 -0.000 0.000 0.248 306 H C -0.006 175.277 175.328 -0.076 0.000 0.567 306 H CA 0.627 56.622 56.048 -0.088 0.000 0.781 306 H CB -1.072 28.626 29.762 -0.105 0.000 0.961 306 H HN 0.907 nan 8.280 nan 0.000 0.393 307 G N -1.513 107.316 108.800 0.048 0.000 2.384 307 G HA2 0.359 4.319 3.960 -0.000 0.000 0.300 307 G HA3 0.359 4.319 3.960 -0.000 0.000 0.300 307 G C -0.864 174.087 174.900 0.086 0.000 1.582 307 G CA 0.000 45.113 45.100 0.022 0.000 0.875 307 G HN 1.135 nan 8.290 nan 0.000 0.628 308 H N -1.728 117.341 119.070 -0.001 0.000 2.713 308 H HA -0.243 4.313 4.556 -0.000 0.000 0.311 308 H C 0.911 176.223 175.328 -0.027 0.000 1.175 308 H CA 1.133 57.192 56.048 0.018 0.000 1.143 308 H CB -1.683 28.091 29.762 0.021 0.000 1.434 308 H HN 1.491 nan 8.280 nan 0.000 0.418 309 C N -4.306 114.944 119.300 -0.082 0.000 3.258 309 C HA 0.800 5.260 4.460 -0.000 0.000 0.376 309 C C 1.958 176.375 174.990 -0.956 0.000 1.869 309 C CA -0.186 58.544 59.018 -0.480 0.000 1.189 309 C CB 0.944 28.517 27.740 -0.279 0.000 2.230 309 C HN 0.311 nan 8.230 nan 0.000 0.432 310 A N 0.502 122.595 122.820 -1.213 0.000 2.024 310 A HA 0.444 4.764 4.320 -0.000 0.000 0.220 310 A C 1.086 178.417 177.584 -0.421 0.000 1.164 310 A CA 2.185 53.671 52.037 -0.919 0.000 0.643 310 A CB -0.756 17.951 19.000 -0.487 0.000 0.806 310 A HN 2.457 nan 8.150 nan 0.000 0.451 311 A N -1.895 120.705 122.820 -0.366 0.000 2.577 311 A HA 0.625 4.945 4.320 -0.000 0.000 0.297 311 A C -0.380 177.046 177.584 -0.263 0.000 1.060 311 A CA -0.135 51.711 52.037 -0.319 0.000 0.697 311 A CB 0.790 19.627 19.000 -0.272 0.000 1.281 311 A HN 0.235 nan 8.150 nan 0.000 0.402 312 S N 0.269 115.752 115.700 -0.363 0.000 2.664 312 S HA 0.824 5.294 4.470 -0.000 0.000 0.304 312 S C -0.496 174.009 174.600 -0.158 0.000 1.099 312 S CA -0.432 57.669 58.200 -0.166 0.000 1.003 312 S CB 1.173 64.339 63.200 -0.056 0.000 1.092 312 S HN 0.566 nan 8.310 nan 0.000 0.525 313 I N 1.295 121.927 120.570 0.102 0.000 2.465 313 I HA 0.695 4.865 4.170 -0.000 0.000 0.291 313 I C -0.203 176.059 176.117 0.240 0.000 1.014 313 I CA -0.554 60.851 61.300 0.175 0.000 1.093 313 I CB 1.777 39.844 38.000 0.112 0.000 1.267 313 I HN 0.680 nan 8.210 nan 0.000 0.431 314 A N 3.758 126.751 122.820 0.288 0.000 2.469 314 A HA 0.649 4.969 4.320 -0.000 0.000 0.299 314 A C -1.529 176.085 177.584 0.049 0.000 1.098 314 A CA -0.563 51.548 52.037 0.123 0.000 0.737 314 A CB 1.726 20.727 19.000 0.002 0.000 1.312 314 A HN 0.715 nan 8.150 nan 0.000 0.414 315 D N 0.357 120.758 120.400 0.001 0.000 2.303 315 D HA 0.401 5.041 4.640 -0.000 0.000 0.236 315 D C 0.848 177.130 176.300 -0.030 0.000 1.068 315 D CA -0.370 53.626 54.000 -0.007 0.000 0.830 315 D CB 1.020 41.809 40.800 -0.018 0.000 1.109 315 D HN 0.391 nan 8.370 nan 0.000 0.496 316 C N 3.489 122.775 119.300 -0.023 0.000 2.413 316 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 316 C C 2.489 177.465 174.990 -0.024 0.000 1.265 316 C CA 0.387 59.383 59.018 -0.037 0.000 1.752 316 C CB -0.857 26.874 27.740 -0.015 0.000 1.998 316 C HN 0.766 nan 8.230 nan 0.000 0.489 317 R N 1.065 121.557 120.500 -0.012 0.000 2.091 317 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 317 R C 1.694 177.985 176.300 -0.016 0.000 1.136 317 R CA 2.106 58.200 56.100 -0.010 0.000 0.959 317 R CB -0.408 29.887 30.300 -0.010 0.000 0.856 317 R HN 0.466 nan 8.270 nan 0.000 0.437 318 D N 0.395 120.781 120.400 -0.024 0.000 2.116 318 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 318 D C 1.894 178.182 176.300 -0.020 0.000 0.998 318 D CA 1.500 55.486 54.000 -0.024 0.000 0.836 318 D CB -0.186 40.597 40.800 -0.028 0.000 0.951 318 D HN 0.351 nan 8.370 nan 0.000 0.449 319 I N 0.311 120.860 120.570 -0.034 0.000 2.202 319 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 319 I C 2.408 178.537 176.117 0.020 0.000 1.091 319 I CA 0.623 61.906 61.300 -0.028 0.000 1.368 319 I CB -0.171 37.766 38.000 -0.105 0.000 1.058 319 I HN -0.028 nan 8.210 nan 0.000 0.410 320 L N -0.033 121.201 121.223 0.018 0.000 2.046 320 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 320 L C 1.573 178.453 176.870 0.018 0.000 1.077 320 L CA 1.044 55.904 54.840 0.033 0.000 0.747 320 L CB -0.581 41.493 42.059 0.025 0.000 0.896 320 L HN 0.341 nan 8.230 nan 0.000 0.432 324 Q N 1.021 120.822 119.800 0.002 0.000 2.061 324 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 324 Q C 2.188 178.174 176.000 -0.023 0.000 0.984 324 Q CA 1.736 57.533 55.803 -0.011 0.000 0.846 324 Q CB 0.041 28.771 28.738 -0.013 0.000 0.902 324 Q HN 0.266 nan 8.270 nan 0.000 0.421 325 L N 0.614 121.820 121.223 -0.028 0.000 2.046 325 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 325 L C 2.066 178.914 176.870 -0.037 0.000 1.077 325 L CA 1.540 56.352 54.840 -0.047 0.000 0.747 325 L CB -0.513 41.515 42.059 -0.050 0.000 0.896 325 L HN 0.298 nan 8.230 nan 0.000 0.432 326 L N -1.336 119.881 121.223 -0.010 0.000 2.017 326 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 326 L C 2.728 179.605 176.870 0.012 0.000 1.073 326 L CA 1.542 56.388 54.840 0.009 0.000 0.745 326 L CB -0.820 41.252 42.059 0.020 0.000 0.894 326 L HN 0.406 nan 8.230 nan 0.000 0.432 327 S N -0.097 115.604 115.700 0.002 0.000 2.359 327 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 327 S C 2.135 176.735 174.600 0.000 0.000 1.035 327 S CA 1.389 59.590 58.200 0.002 0.000 1.018 327 S CB -0.173 63.024 63.200 -0.005 0.000 0.876 327 S HN 0.416 nan 8.310 nan 0.000 0.448 328 A N 1.342 124.151 122.820 -0.019 0.000 1.933 328 A HA 0.102 4.422 4.320 -0.000 0.000 0.218 328 A C 2.282 179.848 177.584 -0.030 0.000 1.175 328 A CA 1.401 53.418 52.037 -0.033 0.000 0.628 328 A CB -0.773 18.188 19.000 -0.066 0.000 0.814 328 A HN 0.595 nan 8.150 nan 0.000 0.444 329 L N -0.840 120.361 121.223 -0.036 0.000 2.046 329 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 329 L C 2.475 179.453 176.870 0.180 0.000 1.077 329 L CA 1.245 56.095 54.840 0.017 0.000 0.747 329 L CB -0.491 41.583 42.059 0.024 0.000 0.896 329 L HN 0.362 nan 8.230 nan 0.000 0.432 330 I N -0.525 120.111 120.570 0.109 0.000 2.252 330 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 330 I C 2.529 178.702 176.117 0.093 0.000 1.102 330 I CA 1.291 62.653 61.300 0.102 0.000 1.385 330 I CB -0.184 37.851 38.000 0.058 0.000 1.064 330 I HN 0.309 nan 8.210 nan 0.000 0.414 331 Q N 0.180 120.021 119.800 0.069 0.000 2.364 331 Q HA -0.147 4.193 4.340 -0.000 0.000 0.209 331 Q C 1.697 177.751 176.000 0.089 0.000 0.977 331 Q CA 0.999 56.836 55.803 0.055 0.000 0.885 331 Q CB -0.009 28.746 28.738 0.028 0.000 0.941 331 Q HN 0.472 nan 8.270 nan 0.000 0.464 332 R N -0.572 120.024 120.500 0.161 0.000 2.397 332 R HA 0.119 4.459 4.340 -0.000 0.000 0.241 332 R C -0.290 176.177 176.300 0.279 0.000 0.914 332 R CA -0.258 55.989 56.100 0.245 0.000 1.071 332 R CB 0.602 31.103 30.300 0.335 0.000 1.116 332 R HN -0.010 nan 8.270 nan 0.000 0.524 333 L N 2.993 124.334 121.223 0.197 0.000 2.423 333 L HA 0.098 4.438 4.340 -0.000 0.000 0.249 333 L C 0.347 177.209 176.870 -0.015 0.000 1.276 333 L CA 0.324 55.196 54.840 0.054 0.000 1.199 333 L CB -0.591 41.515 42.059 0.079 0.000 1.407 333 L HN 0.129 nan 8.230 nan 0.000 0.410 334 T N -2.234 112.299 114.554 -0.034 0.000 2.828 334 T HA 0.189 4.539 4.350 -0.000 0.000 0.290 334 T C 1.420 176.077 174.700 -0.073 0.000 1.019 334 T CA -0.535 61.542 62.100 -0.037 0.000 1.031 334 T CB 1.335 70.189 68.868 -0.023 0.000 1.001 334 T HN 0.387 nan 8.240 nan 0.000 0.531 335 R N 0.847 121.316 120.500 -0.050 0.000 2.113 335 R HA -0.171 4.169 4.340 -0.000 0.000 0.244 335 R C 2.205 178.458 176.300 -0.079 0.000 1.142 335 R CA 2.225 58.292 56.100 -0.055 0.000 0.953 335 R CB -1.005 29.274 30.300 -0.034 0.000 0.860 335 R HN 0.835 nan 8.270 nan 0.000 0.438 336 E N -0.739 119.417 120.200 -0.073 0.000 2.106 336 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 336 E C 1.704 178.227 176.600 -0.130 0.000 0.984 336 E CA 1.962 58.312 56.400 -0.082 0.000 0.806 336 E CB -0.421 29.245 29.700 -0.057 0.000 0.750 336 E HN 0.429 nan 8.360 nan 0.000 0.458 337 T N 0.208 114.662 114.554 -0.167 0.000 2.652 337 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 337 T C 1.916 176.406 174.700 -0.351 0.000 1.039 337 T CA 2.111 64.031 62.100 -0.300 0.000 1.153 337 T CB -0.594 68.034 68.868 -0.399 0.000 0.863 337 T HN 0.273 nan 8.240 nan 0.000 0.428 338 V N 0.579 120.324 119.914 -0.281 0.000 2.809 338 V HA -0.032 4.088 4.120 -0.000 0.000 0.256 338 V C 2.249 178.233 176.094 -0.183 0.000 1.080 338 V CA 1.108 63.260 62.300 -0.246 0.000 1.102 338 V CB -0.864 30.854 31.823 -0.174 0.000 0.705 338 V HN 0.336 nan 8.190 nan 0.000 0.475 339 V N 0.316 120.140 119.914 -0.151 0.000 2.358 339 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 339 V C 2.726 178.727 176.094 -0.154 0.000 1.047 339 V CA 2.548 64.774 62.300 -0.123 0.000 1.035 339 V CB -0.775 30.994 31.823 -0.089 0.000 0.658 339 V HN 0.603 nan 8.190 nan 0.000 0.452 340 Q N -0.466 119.231 119.800 -0.171 0.000 2.119 340 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 340 Q C 2.040 177.909 176.000 -0.218 0.000 0.972 340 Q CA 1.326 57.024 55.803 -0.174 0.000 0.847 340 Q CB -0.068 28.573 28.738 -0.161 0.000 0.903 340 Q HN 0.583 nan 8.270 nan 0.000 0.433 341 L N -0.881 120.188 121.223 -0.257 0.000 2.552 341 L HA 0.002 4.342 4.340 -0.000 0.000 0.227 341 L C 1.717 178.408 176.870 -0.297 0.000 1.146 341 L CA 0.797 55.481 54.840 -0.261 0.000 0.858 341 L CB 0.060 41.947 42.059 -0.287 0.000 0.969 341 L HN 0.124 nan 8.230 nan 0.000 0.451 342 T N -2.208 112.157 114.554 -0.315 0.000 3.182 342 T HA 0.048 4.398 4.350 -0.000 0.000 0.277 342 T C 0.014 174.384 174.700 -0.550 0.000 1.013 342 T CA -0.407 61.447 62.100 -0.411 0.000 0.900 342 T CB -0.072 68.704 68.868 -0.153 0.000 1.098 342 T HN -0.013 nan 8.240 nan 0.000 0.543 343 D N 0.595 120.710 120.400 -0.474 0.000 2.347 343 D HA 0.255 4.895 4.640 -0.000 0.000 0.235 343 D C 0.119 176.192 176.300 -0.379 0.000 1.149 343 D CA -0.698 53.119 54.000 -0.305 0.000 0.850 343 D CB 0.284 40.983 40.800 -0.169 0.000 1.061 343 D HN 0.287 nan 8.370 nan 0.000 0.487 344 F N 2.077 122.018 119.950 -0.014 0.000 2.727 344 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 344 F C 1.570 177.365 175.800 -0.008 0.000 1.097 344 F CA -0.414 57.580 58.000 -0.010 0.000 1.330 344 F CB 0.250 39.245 39.000 -0.007 0.000 1.084 344 F HN 0.031 nan 8.300 nan 0.000 0.578 345 R N 0.000 120.565 120.500 0.108 0.000 2.786 345 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 345 R CA 0.000 56.138 56.100 0.064 0.000 0.921 345 R CB 0.000 30.320 30.300 0.033 0.000 0.687 345 R HN 0.000 nan 8.270 nan 0.000 0.535