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 2bui_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 K N 2.051 122.454 120.400 0.006 0.000 2.489 2 K HA 0.255 4.574 4.320 -0.000 0.000 0.278 2 K C 0.204 176.805 176.600 0.001 0.000 1.000 2 K CA 0.204 56.493 56.287 0.003 0.000 1.012 2 K CB 0.708 33.208 32.500 -0.001 0.000 0.903 2 K HN 0.426 nan 8.250 nan 0.000 0.485 3 R N 0.824 121.323 120.500 -0.002 0.000 2.404 3 R HA 0.451 4.791 4.340 -0.000 0.000 0.291 3 R C -0.219 176.070 176.300 -0.017 0.000 1.025 3 R CA -0.654 55.442 56.100 -0.005 0.000 0.991 3 R CB 1.293 31.590 30.300 -0.005 0.000 1.053 3 R HN 0.634 nan 8.270 nan 0.000 0.479 4 A N 2.544 125.350 122.820 -0.022 0.000 2.318 4 A HA 0.561 4.881 4.320 -0.000 0.000 0.317 4 A C -0.119 177.438 177.584 -0.044 0.000 1.159 4 A CA -0.712 51.300 52.037 -0.042 0.000 0.799 4 A CB 1.079 20.049 19.000 -0.051 0.000 1.194 4 A HN 0.538 nan 8.150 nan 0.000 0.479 5 V N 0.336 120.218 119.914 -0.054 0.000 3.001 5 V HA 0.713 4.833 4.120 -0.000 0.000 0.314 5 V C -0.609 175.451 176.094 -0.057 0.000 1.099 5 V CA -1.109 61.161 62.300 -0.049 0.000 0.989 5 V CB 1.746 33.541 31.823 -0.048 0.000 1.040 5 V HN 0.596 nan 8.190 nan 0.000 0.434 6 I N 3.448 124.000 120.570 -0.029 0.000 2.304 6 I HA 0.389 4.559 4.170 -0.000 0.000 0.291 6 I C 1.212 177.377 176.117 0.081 0.000 1.018 6 I CA 0.214 61.512 61.300 -0.002 0.000 1.260 6 I CB 1.009 39.008 38.000 -0.002 0.000 1.390 6 I HN 1.042 nan 8.210 nan 0.000 0.475 7 T N 1.285 115.868 114.554 0.048 0.000 3.044 7 T HA 0.459 4.809 4.350 -0.000 0.000 0.260 7 T C 0.583 175.388 174.700 0.174 0.000 1.019 7 T CA -0.269 61.865 62.100 0.057 0.000 0.921 7 T CB 0.533 69.390 68.868 -0.019 0.000 1.053 7 T HN 0.707 nan 8.240 nan 0.000 0.533 8 G N 1.393 110.315 108.800 0.203 0.000 2.667 8 G HA2 0.569 4.529 3.960 -0.000 0.000 0.294 8 G HA3 0.569 4.529 3.960 -0.000 0.000 0.294 8 G C -1.991 172.947 174.900 0.063 0.000 1.467 8 G CA -0.988 44.236 45.100 0.207 0.000 0.852 8 G HN 0.606 nan 8.290 nan 0.000 0.521 9 L N -0.996 120.243 121.223 0.028 0.000 2.415 9 L HA 1.062 5.402 4.340 -0.000 0.000 0.256 9 L C -0.050 176.791 176.870 -0.048 0.000 1.010 9 L CA -0.988 53.799 54.840 -0.088 0.000 0.826 9 L CB 1.945 43.852 42.059 -0.253 0.000 1.405 9 L HN 1.176 nan 8.230 nan 0.000 0.410 10 G N 0.897 109.657 108.800 -0.068 0.000 2.719 10 G HA2 0.750 4.710 3.960 -0.000 0.000 0.298 10 G HA3 0.750 4.710 3.960 -0.000 0.000 0.298 10 G C -2.052 172.817 174.900 -0.053 0.000 1.411 10 G CA -0.604 44.468 45.100 -0.047 0.000 0.991 10 G HN 0.987 nan 8.290 nan 0.000 0.509 11 I N 0.940 121.492 120.570 -0.030 0.000 2.775 11 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 11 I C -1.489 174.617 176.117 -0.018 0.000 1.287 11 I CA -0.995 60.285 61.300 -0.034 0.000 1.029 11 I CB 2.372 40.348 38.000 -0.040 0.000 1.282 11 I HN 0.327 nan 8.210 nan 0.000 0.426 12 V N 6.329 126.218 119.914 -0.042 0.000 2.398 12 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 12 V C -0.238 175.767 176.094 -0.148 0.000 1.014 12 V CA -0.258 61.993 62.300 -0.081 0.000 0.838 12 V CB 1.143 32.918 31.823 -0.079 0.000 1.018 12 V HN 0.805 nan 8.190 nan 0.000 0.432 13 S N 2.187 117.830 115.700 -0.096 0.000 2.704 13 S HA 0.474 4.944 4.470 -0.000 0.000 0.296 13 S C 1.163 175.708 174.600 -0.093 0.000 1.138 13 S CA 0.075 58.224 58.200 -0.084 0.000 0.875 13 S CB 1.840 65.073 63.200 0.054 0.000 1.151 13 S HN 0.854 nan 8.310 nan 0.000 0.500 14 S N 0.349 115.999 115.700 -0.083 0.000 2.469 14 S HA -0.092 4.377 4.470 -0.000 0.000 0.238 14 S C 1.352 175.926 174.600 -0.043 0.000 0.998 14 S CA 1.084 59.238 58.200 -0.077 0.000 0.957 14 S CB -1.138 62.028 63.200 -0.057 0.000 0.764 14 S HN 1.040 nan 8.310 nan 0.000 0.514 15 I N -2.726 117.825 120.570 -0.032 0.000 3.927 15 I HA 0.696 4.866 4.170 -0.000 0.000 0.332 15 I C 0.476 176.579 176.117 -0.024 0.000 1.485 15 I CA -0.443 60.835 61.300 -0.037 0.000 1.131 15 I CB 0.318 38.273 38.000 -0.076 0.000 1.092 15 I HN 0.272 nan 8.210 nan 0.000 0.410 16 G N 1.117 109.908 108.800 -0.016 0.000 2.351 16 G HA2 0.032 3.992 3.960 -0.000 0.000 0.296 16 G HA3 0.032 3.992 3.960 -0.000 0.000 0.296 16 G C -0.915 173.981 174.900 -0.007 0.000 1.685 16 G CA -0.663 44.434 45.100 -0.006 0.000 0.936 16 G HN 0.026 nan 8.290 nan 0.000 0.714 17 N N 0.175 118.872 118.700 -0.006 0.000 2.230 17 N HA 0.125 4.865 4.740 -0.000 0.000 0.202 17 N C 0.289 175.805 175.510 0.010 0.000 1.119 17 N CA 0.497 53.545 53.050 -0.004 0.000 0.851 17 N CB 0.484 38.971 38.487 -0.000 0.000 0.990 17 N HN 0.842 nan 8.380 nan 0.000 0.497 18 N N -1.625 117.084 118.700 0.015 0.000 3.046 18 N HA -0.020 4.720 4.740 -0.000 0.000 0.243 18 N C 0.425 175.954 175.510 0.031 0.000 1.452 18 N CA -0.671 52.392 53.050 0.022 0.000 0.882 18 N CB 0.550 39.050 38.487 0.022 0.000 1.425 18 N HN -0.154 nan 8.380 nan 0.000 0.517 19 Q N -1.065 118.759 119.800 0.040 0.000 2.226 19 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 19 Q C 0.707 176.735 176.000 0.047 0.000 0.975 19 Q CA 1.539 57.378 55.803 0.060 0.000 0.866 19 Q CB -0.277 28.509 28.738 0.080 0.000 0.915 19 Q HN 0.637 nan 8.270 nan 0.000 0.440 20 Q N 1.186 121.001 119.800 0.025 0.000 2.083 20 Q HA -0.090 4.249 4.340 -0.000 0.000 0.198 20 Q C 1.709 177.693 176.000 -0.027 0.000 0.969 20 Q CA 1.866 57.662 55.803 -0.011 0.000 0.838 20 Q CB 0.097 28.829 28.738 -0.011 0.000 0.900 20 Q HN 0.585 nan 8.270 nan 0.000 0.436 21 E N -0.598 119.595 120.200 -0.011 0.000 2.106 21 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 21 E C 1.908 178.496 176.600 -0.019 0.000 0.984 21 E CA 1.125 57.513 56.400 -0.019 0.000 0.806 21 E CB 0.054 29.748 29.700 -0.010 0.000 0.750 21 E HN 0.103 nan 8.360 nan 0.000 0.458 22 V N 1.462 121.381 119.914 0.009 0.000 2.427 22 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 22 V C 2.254 178.355 176.094 0.011 0.000 1.051 22 V CA 1.229 63.545 62.300 0.027 0.000 1.048 22 V CB -0.323 31.570 31.823 0.118 0.000 0.666 22 V HN 0.226 nan 8.190 nan 0.000 0.456 23 L N 1.104 122.331 121.223 0.007 0.000 2.012 23 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 23 L C 2.461 179.251 176.870 -0.132 0.000 1.073 23 L CA 2.546 57.366 54.840 -0.035 0.000 0.748 23 L CB -1.019 40.964 42.059 -0.127 0.000 0.891 23 L HN 0.217 nan 8.230 nan 0.000 0.431 24 A N -1.393 121.350 122.820 -0.127 0.000 1.902 24 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 24 A C 2.376 179.889 177.584 -0.118 0.000 1.181 24 A CA 2.076 54.029 52.037 -0.140 0.000 0.623 24 A CB -1.042 17.897 19.000 -0.102 0.000 0.818 24 A HN 0.561 nan 8.150 nan 0.000 0.443 25 S N -0.049 115.599 115.700 -0.086 0.000 2.356 25 S HA -0.112 4.357 4.470 -0.000 0.000 0.223 25 S C 1.850 176.399 174.600 -0.085 0.000 1.032 25 S CA 1.502 59.654 58.200 -0.080 0.000 1.005 25 S CB -0.506 62.648 63.200 -0.077 0.000 0.867 25 S HN 0.504 nan 8.310 nan 0.000 0.449 26 L N 0.798 121.978 121.223 -0.073 0.000 2.012 26 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 26 L C 2.759 179.639 176.870 0.017 0.000 1.073 26 L CA 1.345 56.182 54.840 -0.004 0.000 0.748 26 L CB -0.420 41.725 42.059 0.143 0.000 0.891 26 L HN 0.214 nan 8.230 nan 0.000 0.431 27 R N -0.056 120.349 120.500 -0.157 0.000 2.152 27 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 27 R C 1.745 177.960 176.300 -0.142 0.000 1.117 27 R CA 1.170 57.097 56.100 -0.288 0.000 0.981 27 R CB -0.000 30.002 30.300 -0.497 0.000 0.870 27 R HN 0.454 nan 8.270 nan 0.000 0.451 28 E N -1.126 119.009 120.200 -0.108 0.000 2.474 28 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 28 E C 0.548 177.119 176.600 -0.048 0.000 1.039 28 E CA 0.282 56.638 56.400 -0.074 0.000 0.881 28 E CB 0.841 30.497 29.700 -0.072 0.000 0.970 28 E HN 0.427 nan 8.360 nan 0.000 0.486 29 G N 2.947 111.722 108.800 -0.041 0.000 2.249 29 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.273 29 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.273 29 G C 0.110 174.987 174.900 -0.037 0.000 1.036 29 G CA 0.512 45.593 45.100 -0.032 0.000 0.824 29 G HN 0.238 nan 8.290 nan 0.000 0.504 30 R N 0.333 120.805 120.500 -0.047 0.000 2.298 30 R HA 0.461 4.801 4.340 -0.000 0.000 0.310 30 R C 0.779 177.055 176.300 -0.041 0.000 1.068 30 R CA 0.310 56.386 56.100 -0.039 0.000 0.957 30 R CB 0.509 30.785 30.300 -0.041 0.000 1.003 30 R HN 0.312 nan 8.270 nan 0.000 0.454 31 S N 2.204 117.890 115.700 -0.023 0.000 2.565 31 S HA 0.242 4.712 4.470 -0.000 0.000 0.276 31 S C 0.818 175.416 174.600 -0.003 0.000 1.326 31 S CA -0.174 58.017 58.200 -0.015 0.000 1.045 31 S CB 1.269 64.470 63.200 0.002 0.000 0.918 31 S HN 0.784 nan 8.310 nan 0.000 0.505 32 G N 3.882 112.681 108.800 -0.002 0.000 3.502 32 G HA2 0.267 4.227 3.960 -0.000 0.000 0.267 32 G HA3 0.267 4.227 3.960 -0.000 0.000 0.267 32 G C 0.019 174.949 174.900 0.049 0.000 1.090 32 G CA -0.295 44.811 45.100 0.010 0.000 0.795 32 G HN 0.614 nan 8.290 nan 0.000 0.535 33 I N 2.511 123.124 120.570 0.072 0.000 2.396 33 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 33 I C 0.590 176.809 176.117 0.169 0.000 0.999 33 I CA -0.342 61.037 61.300 0.131 0.000 1.310 33 I CB 0.662 38.729 38.000 0.113 0.000 1.404 33 I HN 0.090 nan 8.210 nan 0.000 0.496 34 T N 2.473 117.183 114.554 0.261 0.000 2.865 34 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 34 T C -0.546 174.299 174.700 0.242 0.000 1.119 34 T CA -0.731 61.528 62.100 0.265 0.000 1.007 34 T CB 1.779 70.822 68.868 0.291 0.000 1.225 34 T HN 0.207 nan 8.240 nan 0.000 0.515 35 F N 1.676 121.668 119.950 0.069 0.000 2.484 35 F HA 0.549 5.076 4.527 -0.000 0.000 0.360 35 F C 0.485 176.185 175.800 -0.167 0.000 1.101 35 F CA -0.102 57.882 58.000 -0.028 0.000 1.251 35 F CB 0.913 39.909 39.000 -0.006 0.000 1.132 35 F HN 0.671 nan 8.300 nan 0.000 0.570 36 S N 5.057 119.972 115.700 -1.308 0.000 2.594 36 S HA 0.181 4.651 4.470 -0.000 0.000 0.322 36 S C 0.559 174.376 174.600 -1.305 0.000 1.085 36 S CA -0.679 56.683 58.200 -1.396 0.000 1.116 36 S CB 1.183 63.037 63.200 -2.244 0.000 0.979 36 S HN 0.885 nan 8.310 nan 0.000 0.465 37 Q N 3.515 122.888 119.800 -0.712 0.000 2.170 37 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 37 Q C 1.749 177.529 176.000 -0.366 0.000 0.976 37 Q CA 2.297 57.893 55.803 -0.346 0.000 0.858 37 Q CB -0.155 28.584 28.738 0.001 0.000 0.907 37 Q HN 0.914 nan 8.270 nan 0.000 0.433 38 E N -0.494 119.480 120.200 -0.377 0.000 2.051 38 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 38 E C 1.788 178.221 176.600 -0.279 0.000 0.991 38 E CA 1.302 57.563 56.400 -0.232 0.000 0.799 38 E CB -0.203 29.481 29.700 -0.027 0.000 0.748 38 E HN 0.479 nan 8.360 nan 0.000 0.449 39 L N 0.676 121.627 121.223 -0.454 0.000 2.056 39 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 39 L C 2.889 179.572 176.870 -0.312 0.000 1.078 39 L CA 1.427 56.101 54.840 -0.277 0.000 0.749 39 L CB -0.541 41.326 42.059 -0.320 0.000 0.901 39 L HN 0.171 nan 8.230 nan 0.000 0.433 40 K N 0.280 120.353 120.400 -0.546 0.000 2.057 40 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 40 K C 1.577 177.949 176.600 -0.381 0.000 1.049 40 K CA 1.687 57.555 56.287 -0.699 0.000 0.931 40 K CB 0.031 32.056 32.500 -0.792 0.000 0.714 40 K HN 0.223 nan 8.250 nan 0.000 0.440 41 D N 0.228 120.442 120.400 -0.309 0.000 2.264 41 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 41 D C 1.863 177.981 176.300 -0.303 0.000 0.966 41 D CA 1.290 55.140 54.000 -0.250 0.000 0.864 41 D CB -0.015 40.658 40.800 -0.212 0.000 0.933 41 D HN 0.339 nan 8.370 nan 0.000 0.499 42 S N -0.727 114.763 115.700 -0.349 0.000 2.481 42 S HA 0.117 4.587 4.470 -0.000 0.000 0.231 42 S C 1.758 176.205 174.600 -0.255 0.000 0.996 42 S CA 0.949 58.872 58.200 -0.461 0.000 0.942 42 S CB 0.165 63.141 63.200 -0.373 0.000 0.768 42 S HN 0.299 nan 8.310 nan 0.000 0.520 43 G N 0.563 109.266 108.800 -0.162 0.000 2.148 43 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.203 43 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.203 43 G C -0.043 174.863 174.900 0.011 0.000 0.993 43 G CA 0.067 45.122 45.100 -0.074 0.000 0.661 43 G HN 0.478 nan 8.290 nan 0.000 0.518 44 M N -0.675 118.948 119.600 0.039 0.000 2.197 44 M HA 0.480 4.960 4.480 -0.000 0.000 0.305 44 M C 1.847 178.278 176.300 0.217 0.000 1.162 44 M CA -0.178 55.193 55.300 0.117 0.000 1.099 44 M CB 0.631 33.310 32.600 0.131 0.000 1.430 44 M HN 0.126 nan 8.290 nan 0.000 0.481 45 R N -0.424 120.146 120.500 0.117 0.000 2.112 45 R HA 0.100 4.440 4.340 -0.000 0.000 0.216 45 R C 0.507 176.674 176.300 -0.222 0.000 1.080 45 R CA 0.287 56.382 56.100 -0.009 0.000 0.996 45 R CB 0.182 30.464 30.300 -0.029 0.000 0.902 45 R HN 0.593 nan 8.270 nan 0.000 0.449 46 S N 0.543 116.221 115.700 -0.037 0.000 2.474 46 S HA 0.079 4.549 4.470 -0.000 0.000 0.276 46 S C -0.104 174.556 174.600 0.101 0.000 1.227 46 S CA -0.429 57.742 58.200 -0.049 0.000 1.050 46 S CB 0.231 63.430 63.200 -0.002 0.000 0.939 46 S HN 0.347 nan 8.310 nan 0.000 0.490 47 H N 2.958 121.962 119.070 -0.110 0.000 2.510 47 H HA 0.345 4.901 4.556 -0.000 0.000 0.266 47 H C -0.169 174.922 175.328 -0.396 0.000 1.146 47 H CA -0.641 55.223 56.048 -0.308 0.000 0.993 47 H CB 0.525 30.150 29.762 -0.228 0.000 1.727 47 H HN 0.458 nan 8.280 nan 0.000 0.590 48 V N -1.666 118.192 119.914 -0.094 0.000 2.876 48 V HA 0.643 4.763 4.120 -0.000 0.000 0.312 48 V C -1.410 174.750 176.094 0.111 0.000 1.085 48 V CA -0.917 61.363 62.300 -0.034 0.000 0.945 48 V CB 2.182 34.060 31.823 0.092 0.000 1.017 48 V HN 0.396 nan 8.190 nan 0.000 0.428 49 W N 1.464 122.778 121.300 0.024 0.000 3.146 49 W HA 0.836 5.496 4.660 -0.000 0.000 0.319 49 W C -0.337 176.202 176.519 0.034 0.000 1.258 49 W CA -1.744 55.620 57.345 0.033 0.000 1.189 49 W CB 0.898 30.375 29.460 0.028 0.000 1.412 49 W HN 1.047 nan 8.180 nan 0.000 0.567 50 G N 2.106 111.023 108.800 0.196 0.000 2.696 50 G HA2 0.412 4.372 3.960 -0.000 0.000 0.329 50 G HA3 0.412 4.372 3.960 -0.000 0.000 0.329 50 G C -0.529 174.255 174.900 -0.193 0.000 0.973 50 G CA -0.822 44.295 45.100 0.029 0.000 1.257 50 G HN 0.632 nan 8.290 nan 0.000 0.456 51 N N 0.253 118.764 118.700 -0.315 0.000 2.508 51 N HA 0.472 5.212 4.740 -0.000 0.000 0.285 51 N C -0.527 174.815 175.510 -0.281 0.000 1.144 51 N CA -0.930 51.816 53.050 -0.507 0.000 0.978 51 N CB 2.186 40.261 38.487 -0.686 0.000 1.180 51 N HN 0.014 nan 8.380 nan 0.000 0.484 52 V N 1.251 120.980 119.914 -0.309 0.000 2.427 52 V HA 0.080 4.200 4.120 -0.000 0.000 0.268 52 V C 0.012 176.030 176.094 -0.127 0.000 1.046 52 V CA -0.354 61.797 62.300 -0.249 0.000 0.970 52 V CB 0.411 31.986 31.823 -0.412 0.000 1.001 52 V HN 0.675 nan 8.190 nan 0.000 0.476 53 K N 5.555 125.910 120.400 -0.075 0.000 2.142 53 K HA 0.565 4.885 4.320 -0.000 0.000 0.250 53 K C -0.864 175.731 176.600 -0.008 0.000 1.148 53 K CA 0.103 56.377 56.287 -0.021 0.000 1.040 53 K CB 0.072 32.570 32.500 -0.003 0.000 1.569 53 K HN 0.471 nan 8.250 nan 0.000 0.361 54 L N 1.121 122.348 121.223 0.007 0.000 2.751 54 L HA 0.232 4.572 4.340 -0.000 0.000 0.261 54 L C -1.903 174.997 176.870 0.050 0.000 0.927 54 L CA -0.469 54.387 54.840 0.027 0.000 0.968 54 L CB 1.872 43.946 42.059 0.025 0.000 1.432 54 L HN 0.261 nan 8.230 nan 0.000 0.439 55 D N 2.526 122.952 120.400 0.044 0.000 2.374 55 D HA 0.184 4.824 4.640 -0.000 0.000 0.240 55 D C 1.106 177.433 176.300 0.044 0.000 1.229 55 D CA 0.533 54.559 54.000 0.044 0.000 0.895 55 D CB 1.256 42.077 40.800 0.035 0.000 1.046 55 D HN 0.691 nan 8.370 nan 0.000 0.498 56 T N 0.146 114.734 114.554 0.056 0.000 3.160 56 T HA -0.020 4.329 4.350 -0.000 0.000 0.257 56 T C 0.823 175.530 174.700 0.011 0.000 1.147 56 T CA -0.166 61.963 62.100 0.048 0.000 1.064 56 T CB -0.502 68.407 68.868 0.068 0.000 0.949 56 T HN 0.234 nan 8.240 nan 0.000 0.526 57 T N 2.402 116.959 114.554 0.005 0.000 2.871 57 T HA 0.398 4.748 4.350 -0.000 0.000 0.296 57 T C 1.536 176.227 174.700 -0.015 0.000 0.998 57 T CA 0.841 62.933 62.100 -0.014 0.000 1.162 57 T CB 0.042 68.906 68.868 -0.006 0.000 0.947 57 T HN 0.749 nan 8.240 nan 0.000 0.536 58 G N 2.643 111.422 108.800 -0.035 0.000 2.179 58 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 58 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 58 G C 0.805 175.691 174.900 -0.023 0.000 0.977 58 G CA 0.271 45.352 45.100 -0.032 0.000 0.641 58 G HN 0.691 nan 8.290 nan 0.000 0.533 59 L N -0.189 121.024 121.223 -0.017 0.000 2.492 59 L HA 0.402 4.742 4.340 -0.000 0.000 0.223 59 L C 1.076 177.941 176.870 -0.008 0.000 1.132 59 L CA 0.585 55.432 54.840 0.012 0.000 0.850 59 L CB 0.006 42.092 42.059 0.045 0.000 0.966 59 L HN 0.283 nan 8.230 nan 0.000 0.454 60 I N -0.988 119.525 120.570 -0.096 0.000 2.582 60 I HA 0.176 4.346 4.170 -0.000 0.000 0.292 60 I C -0.462 175.542 176.117 -0.188 0.000 1.066 60 I CA -0.990 60.182 61.300 -0.215 0.000 1.053 60 I CB 2.195 39.922 38.000 -0.455 0.000 1.241 60 I HN -0.192 nan 8.210 nan 0.000 0.421 61 D N 4.798 125.095 120.400 -0.172 0.000 2.583 61 D HA -0.101 4.539 4.640 -0.000 0.000 0.232 61 D C 1.276 177.482 176.300 -0.156 0.000 1.128 61 D CA 0.493 54.416 54.000 -0.128 0.000 0.859 61 D CB 1.035 41.772 40.800 -0.105 0.000 1.169 61 D HN 0.414 nan 8.370 nan 0.000 0.481 62 R N 3.656 124.081 120.500 -0.125 0.000 2.091 62 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 62 R C 1.411 177.614 176.300 -0.162 0.000 1.136 62 R CA 1.545 57.557 56.100 -0.146 0.000 0.959 62 R CB -0.231 30.002 30.300 -0.112 0.000 0.856 62 R HN 0.364 nan 8.270 nan 0.000 0.437 63 K N -0.269 120.068 120.400 -0.106 0.000 2.360 63 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 63 K C 1.695 178.287 176.600 -0.013 0.000 1.046 63 K CA 0.798 57.051 56.287 -0.058 0.000 0.945 63 K CB 0.164 32.654 32.500 -0.016 0.000 0.750 63 K HN 0.060 nan 8.250 nan 0.000 0.464 64 V N -1.592 118.268 119.914 -0.091 0.000 2.690 64 V HA -0.004 4.116 4.120 -0.000 0.000 0.240 64 V C 1.671 177.672 176.094 -0.155 0.000 1.078 64 V CA 0.795 63.035 62.300 -0.100 0.000 1.102 64 V CB 0.410 32.095 31.823 -0.230 0.000 0.800 64 V HN 0.072 nan 8.190 nan 0.000 0.479 65 V N 2.591 122.344 119.914 -0.268 0.000 3.305 65 V HA -0.151 3.969 4.120 -0.000 0.000 0.269 65 V C 2.659 178.561 176.094 -0.320 0.000 1.157 65 V CA 1.841 63.961 62.300 -0.301 0.000 1.157 65 V CB -0.691 30.953 31.823 -0.297 0.000 0.772 65 V HN 0.696 nan 8.190 nan 0.000 0.498 66 R N -1.016 119.242 120.500 -0.403 0.000 2.148 66 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 66 R C 1.770 177.553 176.300 -0.861 0.000 1.103 66 R CA 1.958 57.607 56.100 -0.750 0.000 0.983 66 R CB -0.668 28.968 30.300 -1.106 0.000 0.874 66 R HN 0.495 nan 8.270 nan 0.000 0.451 67 F N 1.082 120.766 119.950 -0.444 0.000 2.797 67 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 67 F C 0.849 176.488 175.800 -0.268 0.000 1.130 67 F CA -0.114 57.723 58.000 -0.271 0.000 1.387 67 F CB 0.147 39.059 39.000 -0.146 0.000 1.107 67 F HN -0.110 nan 8.300 nan 0.000 0.577 68 M N -0.205 119.288 119.600 -0.177 0.000 2.367 68 M HA 0.347 4.827 4.480 -0.000 0.000 0.339 68 M C 0.360 176.463 176.300 -0.328 0.000 1.177 68 M CA -0.622 54.554 55.300 -0.208 0.000 1.068 68 M CB 1.593 34.078 32.600 -0.193 0.000 1.602 68 M HN -0.040 nan 8.290 nan 0.000 0.457 69 S N -0.479 115.070 115.700 -0.251 0.000 2.747 69 S HA 0.366 4.836 4.470 -0.000 0.000 0.300 69 S C 0.247 174.749 174.600 -0.163 0.000 1.121 69 S CA -0.846 57.241 58.200 -0.188 0.000 0.995 69 S CB 1.262 64.435 63.200 -0.045 0.000 1.113 69 S HN 0.670 nan 8.310 nan 0.000 0.547 70 D N 1.332 121.639 120.400 -0.155 0.000 2.116 70 D HA -0.108 4.532 4.640 -0.000 0.000 0.193 70 D C 2.228 178.166 176.300 -0.605 0.000 0.998 70 D CA 2.017 55.726 54.000 -0.486 0.000 0.836 70 D CB -0.944 39.569 40.800 -0.478 0.000 0.951 70 D HN 0.704 nan 8.370 nan 0.000 0.449 71 A N 0.502 123.176 122.820 -0.244 0.000 1.917 71 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 71 A C 2.465 180.024 177.584 -0.041 0.000 1.182 71 A CA 2.245 54.241 52.037 -0.068 0.000 0.633 71 A CB -0.678 18.334 19.000 0.021 0.000 0.819 71 A HN 0.202 nan 8.150 nan 0.000 0.448 72 S N -0.453 115.211 115.700 -0.059 0.000 2.383 72 S HA -0.062 4.408 4.470 -0.000 0.000 0.227 72 S C 1.799 176.416 174.600 0.028 0.000 1.026 72 S CA 1.299 59.501 58.200 0.004 0.000 0.981 72 S CB -0.453 62.736 63.200 -0.017 0.000 0.818 72 S HN 0.542 nan 8.310 nan 0.000 0.472 73 I N 0.433 120.940 120.570 -0.105 0.000 2.142 73 I HA -0.212 3.957 4.170 -0.000 0.000 0.240 73 I C 2.071 178.257 176.117 0.115 0.000 1.078 73 I CA 1.325 62.582 61.300 -0.070 0.000 1.343 73 I CB -0.483 37.385 38.000 -0.221 0.000 1.046 73 I HN 0.253 nan 8.210 nan 0.000 0.405 74 Y N 0.961 121.302 120.300 0.068 0.000 2.128 74 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 74 Y C 2.689 178.633 175.900 0.073 0.000 1.154 74 Y CA 0.865 58.999 58.100 0.057 0.000 1.149 74 Y CB -1.470 37.001 38.460 0.020 0.000 0.976 74 Y HN 0.146 nan 8.280 nan 0.000 0.505 75 A N -0.504 122.457 122.820 0.235 0.000 1.930 75 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 75 A C 2.223 179.899 177.584 0.154 0.000 1.175 75 A CA 1.326 53.451 52.037 0.146 0.000 0.627 75 A CB -1.353 17.713 19.000 0.111 0.000 0.815 75 A HN 0.435 nan 8.150 nan 0.000 0.443 76 F N 0.650 120.655 119.950 0.092 0.000 2.069 76 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 76 F C 1.980 177.868 175.800 0.147 0.000 1.113 76 F CA 1.954 60.047 58.000 0.155 0.000 1.214 76 F CB -0.224 38.837 39.000 0.102 0.000 0.978 76 F HN 0.146 nan 8.300 nan 0.000 0.474 77 L N -0.682 120.766 121.223 0.374 0.000 2.042 77 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 77 L C 2.530 179.446 176.870 0.076 0.000 1.076 77 L CA 1.455 56.438 54.840 0.237 0.000 0.749 77 L CB -0.998 41.197 42.059 0.227 0.000 0.893 77 L HN 0.099 nan 8.230 nan 0.000 0.432 78 S N -0.361 115.373 115.700 0.057 0.000 2.370 78 S HA -0.248 4.222 4.470 -0.000 0.000 0.226 78 S C 1.942 176.484 174.600 -0.097 0.000 1.033 78 S CA 1.725 59.918 58.200 -0.012 0.000 1.011 78 S CB -0.262 62.934 63.200 -0.007 0.000 0.852 78 S HN 0.356 nan 8.310 nan 0.000 0.457 79 M N 1.327 120.815 119.600 -0.186 0.000 2.175 79 M HA -0.116 4.364 4.480 -0.000 0.000 0.264 79 M C 1.965 177.994 176.300 -0.451 0.000 1.063 79 M CA 1.429 56.480 55.300 -0.415 0.000 1.119 79 M CB -0.166 31.994 32.600 -0.734 0.000 1.377 79 M HN 0.256 nan 8.290 nan 0.000 0.415 80 E N -0.229 119.796 120.200 -0.291 0.000 2.085 80 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 80 E C 2.034 178.574 176.600 -0.100 0.000 0.994 80 E CA 1.584 57.894 56.400 -0.150 0.000 0.801 80 E CB -0.162 29.535 29.700 -0.005 0.000 0.743 80 E HN 0.678 nan 8.360 nan 0.000 0.453 81 Q N 0.159 119.918 119.800 -0.068 0.000 2.020 81 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 81 Q C 2.264 178.244 176.000 -0.034 0.000 0.982 81 Q CA 1.438 57.224 55.803 -0.028 0.000 0.838 81 Q CB -0.196 28.535 28.738 -0.011 0.000 0.899 81 Q HN 0.237 nan 8.270 nan 0.000 0.423 82 A N 0.796 123.576 122.820 -0.067 0.000 1.933 82 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 82 A C 2.033 179.603 177.584 -0.023 0.000 1.175 82 A CA 1.216 53.234 52.037 -0.032 0.000 0.628 82 A CB -0.689 18.291 19.000 -0.032 0.000 0.814 82 A HN 0.326 nan 8.150 nan 0.000 0.444 83 I N -0.378 120.118 120.570 -0.124 0.000 2.179 83 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 83 I C 2.978 179.075 176.117 -0.034 0.000 1.088 83 I CA 1.161 62.375 61.300 -0.144 0.000 1.357 83 I CB -0.355 37.420 38.000 -0.375 0.000 1.051 83 I HN 0.367 nan 8.210 nan 0.000 0.409 84 A N 0.237 123.045 122.820 -0.019 0.000 1.898 84 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 84 A C 2.000 179.609 177.584 0.041 0.000 1.181 84 A CA 2.161 54.212 52.037 0.023 0.000 0.620 84 A CB -0.676 18.340 19.000 0.025 0.000 0.819 84 A HN 0.437 nan 8.150 nan 0.000 0.442 85 D N -0.156 120.274 120.400 0.050 0.000 2.178 85 D HA -0.001 4.639 4.640 -0.000 0.000 0.201 85 D C 1.800 178.165 176.300 0.109 0.000 0.980 85 D CA 1.391 55.447 54.000 0.093 0.000 0.842 85 D CB -0.134 40.746 40.800 0.133 0.000 0.948 85 D HN 0.334 nan 8.370 nan 0.000 0.472 86 A N -0.712 122.158 122.820 0.084 0.000 2.123 86 A HA 0.404 4.724 4.320 -0.000 0.000 0.214 86 A C 1.780 179.403 177.584 0.064 0.000 1.152 86 A CA 0.969 53.052 52.037 0.075 0.000 0.728 86 A CB -0.479 18.547 19.000 0.043 0.000 0.814 86 A HN 0.465 nan 8.150 nan 0.000 0.464 87 G N -0.747 108.089 108.800 0.061 0.000 2.225 87 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.264 87 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.264 87 G C -0.160 174.790 174.900 0.084 0.000 1.060 87 G CA 0.284 45.421 45.100 0.062 0.000 0.833 87 G HN 0.459 nan 8.290 nan 0.000 0.498 88 L N 1.730 123.017 121.223 0.106 0.000 2.257 88 L HA 0.537 4.877 4.340 -0.000 0.000 0.290 88 L C 1.211 178.235 176.870 0.256 0.000 1.044 88 L CA -0.310 54.641 54.840 0.186 0.000 0.810 88 L CB 1.514 43.701 42.059 0.213 0.000 1.193 88 L HN 0.438 nan 8.230 nan 0.000 0.425 89 S N 2.695 118.520 115.700 0.209 0.000 2.632 89 S HA 0.369 4.839 4.470 -0.000 0.000 0.267 89 S C -1.917 172.782 174.600 0.164 0.000 1.276 89 S CA -1.145 57.155 58.200 0.166 0.000 0.998 89 S CB 1.301 64.551 63.200 0.083 0.000 0.953 89 S HN 0.345 nan 8.310 nan 0.000 0.547 90 P HA -0.200 nan 4.420 nan 0.000 0.214 90 P C 1.574 178.673 177.300 -0.335 0.000 1.163 90 P CA 1.577 64.524 63.100 -0.255 0.000 0.889 90 P CB -0.098 31.527 31.700 -0.124 0.000 0.790 91 E N -0.169 119.947 120.200 -0.141 0.000 2.333 91 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 91 E C 1.737 178.297 176.600 -0.068 0.000 1.007 91 E CA 1.578 57.914 56.400 -0.107 0.000 0.845 91 E CB -1.133 28.537 29.700 -0.049 0.000 0.766 91 E HN 0.213 nan 8.360 nan 0.000 0.507 92 A N 0.713 123.527 122.820 -0.010 0.000 2.021 92 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 92 A C 1.670 179.345 177.584 0.153 0.000 1.163 92 A CA 1.064 53.157 52.037 0.094 0.000 0.676 92 A CB -0.458 18.641 19.000 0.165 0.000 0.818 92 A HN 0.485 nan 8.150 nan 0.000 0.453 93 Y N -2.040 118.304 120.300 0.072 0.000 2.499 93 Y HA 0.463 5.013 4.550 -0.000 0.000 0.253 93 Y C 0.476 176.408 175.900 0.053 0.000 1.105 93 Y CA -0.727 57.431 58.100 0.098 0.000 1.240 93 Y CB -0.148 38.442 38.460 0.216 0.000 1.289 93 Y HN 0.173 nan 8.280 nan 0.000 0.534 94 Q N 1.752 121.219 119.800 -0.555 0.000 2.227 94 Q HA 0.234 4.574 4.340 -0.000 0.000 0.245 94 Q C -0.148 175.653 176.000 -0.332 0.000 0.926 94 Q CA -0.614 54.928 55.803 -0.436 0.000 0.895 94 Q CB 0.537 28.964 28.738 -0.518 0.000 1.230 94 Q HN 0.316 nan 8.270 nan 0.000 0.450 95 N N 1.751 120.140 118.700 -0.518 0.000 2.701 95 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 95 N C -1.041 174.243 175.510 -0.377 0.000 1.046 95 N CA 0.803 53.309 53.050 -0.906 0.000 0.733 95 N CB -1.038 37.160 38.487 -0.482 0.000 0.973 95 N HN 0.563 nan 8.380 nan 0.000 0.541 96 N N 0.561 119.154 118.700 -0.178 0.000 2.483 96 N HA 0.239 4.979 4.740 -0.000 0.000 0.267 96 N C -1.671 173.899 175.510 0.100 0.000 0.998 96 N CA -1.903 51.151 53.050 0.007 0.000 0.918 96 N CB 1.441 39.939 38.487 0.017 0.000 1.215 96 N HN -0.110 nan 8.380 nan 0.000 0.500 97 P HA -0.078 nan 4.420 nan 0.000 0.226 97 P C 0.505 177.848 177.300 0.071 0.000 1.146 97 P CA 0.747 63.923 63.100 0.125 0.000 0.773 97 P CB 0.480 32.239 31.700 0.098 0.000 0.772 98 R N -0.312 120.216 120.500 0.048 0.000 2.334 98 R HA 0.217 4.557 4.340 -0.000 0.000 0.220 98 R C 0.152 176.438 176.300 -0.023 0.000 0.917 98 R CA -0.036 56.068 56.100 0.006 0.000 1.073 98 R CB 0.179 30.476 30.300 -0.005 0.000 1.056 98 R HN 0.146 nan 8.270 nan 0.000 0.506 99 V N 0.334 120.263 119.914 0.025 0.000 2.407 99 V HA 0.585 4.704 4.120 -0.000 0.000 0.291 99 V C 0.487 176.630 176.094 0.081 0.000 1.018 99 V CA -0.795 61.527 62.300 0.037 0.000 0.842 99 V CB 1.648 33.552 31.823 0.134 0.000 0.996 99 V HN 0.260 nan 8.190 nan 0.000 0.426 100 G N 3.205 112.021 108.800 0.027 0.000 3.108 100 G HA2 0.850 4.810 3.960 -0.000 0.000 0.268 100 G HA3 0.850 4.810 3.960 -0.000 0.000 0.268 100 G C -1.605 173.331 174.900 0.060 0.000 1.361 100 G CA -0.799 44.316 45.100 0.025 0.000 1.047 100 G HN 0.719 nan 8.290 nan 0.000 0.540 101 L N -0.459 120.748 121.223 -0.028 0.000 2.562 101 L HA 0.671 5.011 4.340 -0.000 0.000 0.266 101 L C -1.595 175.171 176.870 -0.172 0.000 0.949 101 L CA -0.553 54.275 54.840 -0.021 0.000 0.879 101 L CB 1.679 43.755 42.059 0.029 0.000 1.278 101 L HN 0.430 nan 8.230 nan 0.000 0.404 102 I N 5.340 125.814 120.570 -0.160 0.000 2.448 102 I HA 0.827 4.997 4.170 -0.000 0.000 0.281 102 I C -0.448 175.628 176.117 -0.067 0.000 1.027 102 I CA -0.385 60.795 61.300 -0.199 0.000 1.111 102 I CB 1.736 39.609 38.000 -0.212 0.000 1.236 102 I HN 0.726 nan 8.210 nan 0.000 0.452 103 A N 4.288 127.095 122.820 -0.022 0.000 2.566 103 A HA 0.935 5.255 4.320 -0.000 0.000 0.297 103 A C -0.721 176.890 177.584 0.045 0.000 1.059 103 A CA -0.354 51.690 52.037 0.012 0.000 0.691 103 A CB 1.783 20.785 19.000 0.004 0.000 1.282 103 A HN 0.778 nan 8.150 nan 0.000 0.401 104 G N -0.247 108.585 108.800 0.054 0.000 2.870 104 G HA2 0.871 4.831 3.960 -0.000 0.000 0.299 104 G HA3 0.871 4.831 3.960 -0.000 0.000 0.299 104 G C -0.466 174.471 174.900 0.061 0.000 1.324 104 G CA 0.219 45.359 45.100 0.067 0.000 0.808 104 G HN 1.971 nan 8.290 nan 0.000 0.535 105 S N -2.156 113.583 115.700 0.064 0.000 2.661 105 S HA 0.685 5.155 4.470 -0.000 0.000 0.285 105 S C 0.957 175.594 174.600 0.062 0.000 1.138 105 S CA 0.295 58.532 58.200 0.061 0.000 0.855 105 S CB 1.477 64.714 63.200 0.061 0.000 1.136 105 S HN 1.486 nan 8.310 nan 0.000 0.484 106 G N -0.116 108.718 108.800 0.057 0.000 2.411 106 G HA2 0.325 4.285 3.960 -0.000 0.000 0.213 106 G HA3 0.325 4.285 3.960 -0.000 0.000 0.213 106 G C 0.900 175.843 174.900 0.070 0.000 1.166 106 G CA 0.393 45.529 45.100 0.059 0.000 0.802 106 G HN 1.208 nan 8.290 nan 0.000 0.533 107 G N -1.018 107.826 108.800 0.074 0.000 3.377 107 G HA2 0.460 4.420 3.960 -0.000 0.000 0.257 107 G HA3 0.460 4.420 3.960 -0.000 0.000 0.257 107 G C 1.083 176.021 174.900 0.064 0.000 1.038 107 G CA 0.757 45.901 45.100 0.072 0.000 0.809 107 G HN 1.076 nan 8.290 nan 0.000 0.526 108 G N 0.433 109.271 108.800 0.063 0.000 2.601 108 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.306 108 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.306 108 G C 0.442 175.384 174.900 0.070 0.000 1.172 108 G CA 0.786 45.924 45.100 0.063 0.000 0.966 108 G HN 1.436 nan 8.290 nan 0.000 0.542 109 S N 1.415 117.165 115.700 0.084 0.000 2.356 109 S HA 0.638 5.108 4.470 -0.000 0.000 0.171 109 S C -1.372 173.283 174.600 0.092 0.000 1.399 109 S CA 0.116 58.385 58.200 0.114 0.000 1.225 109 S CB 1.706 65.028 63.200 0.203 0.000 1.271 109 S HN 0.251 nan 8.310 nan 0.000 0.427 110 P HA -0.112 nan 4.420 nan 0.000 0.215 110 P C 1.578 178.834 177.300 -0.074 0.000 1.153 110 P CA 0.746 63.831 63.100 -0.026 0.000 0.853 110 P CB 0.131 31.792 31.700 -0.065 0.000 0.788 111 R N -0.731 119.699 120.500 -0.116 0.000 2.094 111 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 111 R C 1.917 178.085 176.300 -0.221 0.000 1.137 111 R CA 1.897 57.853 56.100 -0.240 0.000 0.943 111 R CB -1.047 29.061 30.300 -0.321 0.000 0.850 111 R HN 0.101 nan 8.270 nan 0.000 0.433 112 F N 0.693 120.658 119.950 0.026 0.000 2.502 112 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 112 F C 2.477 178.367 175.800 0.150 0.000 1.111 112 F CA 0.910 58.974 58.000 0.106 0.000 1.445 112 F CB -0.021 39.002 39.000 0.039 0.000 1.081 112 F HN 0.176 nan 8.300 nan 0.000 0.558 113 Q N -0.326 119.594 119.800 0.199 0.000 2.079 113 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 113 Q C 2.343 178.397 176.000 0.091 0.000 0.974 113 Q CA 1.469 57.352 55.803 0.132 0.000 0.840 113 Q CB -0.196 28.587 28.738 0.075 0.000 0.898 113 Q HN 0.258 nan 8.270 nan 0.000 0.430 114 V N 0.323 120.265 119.914 0.047 0.000 2.453 114 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 114 V C 1.805 177.931 176.094 0.052 0.000 1.048 114 V CA 1.381 63.693 62.300 0.019 0.000 1.049 114 V CB -0.534 31.259 31.823 -0.050 0.000 0.672 114 V HN 0.355 nan 8.190 nan 0.000 0.457 115 F N 2.349 122.267 119.950 -0.054 0.000 2.095 115 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 115 F C 2.174 177.993 175.800 0.032 0.000 1.104 115 F CA 1.852 59.832 58.000 -0.033 0.000 1.232 115 F CB -0.898 38.047 39.000 -0.093 0.000 0.987 115 F HN 0.138 nan 8.300 nan 0.000 0.475 116 G N -0.191 108.623 108.800 0.023 0.000 2.446 116 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 116 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 116 G C 1.806 176.624 174.900 -0.137 0.000 1.168 116 G CA 0.947 46.002 45.100 -0.075 0.000 0.771 116 G HN 0.655 nan 8.290 nan 0.000 0.551 117 A N 0.818 123.598 122.820 -0.068 0.000 1.930 117 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 117 A C 2.102 179.632 177.584 -0.089 0.000 1.175 117 A CA 2.075 54.079 52.037 -0.056 0.000 0.627 117 A CB -0.328 18.662 19.000 -0.016 0.000 0.815 117 A HN 0.279 nan 8.150 nan 0.000 0.443 118 D N 0.167 120.495 120.400 -0.121 0.000 2.097 118 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 118 D C 2.280 178.469 176.300 -0.185 0.000 0.984 118 D CA 1.588 55.517 54.000 -0.118 0.000 0.826 118 D CB -0.500 40.248 40.800 -0.086 0.000 0.973 118 D HN 0.389 nan 8.370 nan 0.000 0.460 119 A N 0.683 123.286 122.820 -0.361 0.000 1.877 119 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 119 A C 2.152 179.619 177.584 -0.196 0.000 1.186 119 A CA 1.872 53.691 52.037 -0.363 0.000 0.620 119 A CB -0.605 17.993 19.000 -0.671 0.000 0.822 119 A HN 0.170 nan 8.150 nan 0.000 0.443 120 M N -0.094 119.405 119.600 -0.167 0.000 2.149 120 M HA -0.093 4.387 4.480 -0.000 0.000 0.261 120 M C 1.758 178.019 176.300 -0.066 0.000 1.064 120 M CA 1.523 56.767 55.300 -0.093 0.000 1.102 120 M CB -0.416 32.142 32.600 -0.069 0.000 1.369 120 M HN 0.358 nan 8.290 nan 0.000 0.408 121 R N -0.111 120.349 120.500 -0.067 0.000 2.313 121 R HA 0.224 4.564 4.340 -0.000 0.000 0.199 121 R C 0.924 177.200 176.300 -0.040 0.000 0.958 121 R CA 0.229 56.303 56.100 -0.043 0.000 1.047 121 R CB -0.334 29.946 30.300 -0.034 0.000 0.955 121 R HN 0.455 nan 8.270 nan 0.000 0.481 122 G N 0.966 109.735 108.800 -0.052 0.000 2.537 122 G HA2 0.160 4.120 3.960 -0.000 0.000 0.297 122 G HA3 0.160 4.120 3.960 -0.000 0.000 0.297 122 G C -1.479 173.404 174.900 -0.029 0.000 1.310 122 G CA -0.999 44.077 45.100 -0.040 0.000 1.027 122 G HN -0.084 nan 8.290 nan 0.000 0.505 123 P HA -0.040 nan 4.420 nan 0.000 0.225 123 P C 1.160 178.451 177.300 -0.014 0.000 1.148 123 P CA 0.791 63.882 63.100 -0.014 0.000 0.779 123 P CB 0.387 32.082 31.700 -0.008 0.000 0.780 124 R N -1.134 119.354 120.500 -0.019 0.000 2.282 124 R HA 0.235 4.574 4.340 -0.000 0.000 0.195 124 R C 1.611 177.898 176.300 -0.023 0.000 0.909 124 R CA 0.589 56.679 56.100 -0.016 0.000 1.039 124 R CB -0.171 30.124 30.300 -0.009 0.000 1.015 124 R HN 0.161 nan 8.270 nan 0.000 0.513 125 G N 1.559 110.338 108.800 -0.035 0.000 2.634 125 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.309 125 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.309 125 G C 0.825 175.700 174.900 -0.041 0.000 1.265 125 G CA 0.447 45.523 45.100 -0.040 0.000 0.998 125 G HN 0.194 nan 8.290 nan 0.000 0.551 126 L N 0.403 121.608 121.223 -0.029 0.000 2.051 126 L HA -0.200 4.140 4.340 -0.000 0.000 0.214 126 L C 3.039 179.897 176.870 -0.019 0.000 1.076 126 L CA 2.581 57.407 54.840 -0.024 0.000 0.758 126 L CB -0.581 41.466 42.059 -0.020 0.000 0.890 126 L HN 0.606 nan 8.230 nan 0.000 0.433 127 K N -0.152 120.239 120.400 -0.015 0.000 2.103 127 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 127 K C 2.181 178.788 176.600 0.012 0.000 1.048 127 K CA 1.445 57.729 56.287 -0.005 0.000 0.930 127 K CB -0.291 32.207 32.500 -0.003 0.000 0.716 127 K HN 0.351 nan 8.250 nan 0.000 0.444 128 A N 0.854 123.673 122.820 -0.000 0.000 1.930 128 A HA -0.058 4.261 4.320 -0.000 0.000 0.215 128 A C 2.355 179.961 177.584 0.037 0.000 1.176 128 A CA 0.936 52.980 52.037 0.011 0.000 0.632 128 A CB -0.439 18.529 19.000 -0.054 0.000 0.819 128 A HN 0.050 nan 8.150 nan 0.000 0.445 129 V N -0.386 119.519 119.914 -0.015 0.000 2.287 129 V HA 0.134 4.254 4.120 -0.000 0.000 0.248 129 V C 1.669 177.879 176.094 0.193 0.000 1.053 129 V CA 1.297 63.622 62.300 0.041 0.000 1.027 129 V CB -1.986 29.838 31.823 0.002 0.000 0.646 129 V HN 1.302 nan 8.190 nan 0.000 0.447 130 G N 0.448 109.292 108.800 0.073 0.000 2.795 130 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.664 130 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.664 130 G C -1.936 172.898 174.900 -0.110 0.000 1.381 130 G CA -0.093 45.006 45.100 -0.002 0.000 0.853 130 G HN 0.359 nan 8.290 nan 0.000 0.545 131 P HA 0.336 nan 4.420 nan 0.000 0.254 131 P C -0.290 176.700 177.300 -0.516 0.000 1.620 131 P CA 0.279 63.123 63.100 -0.425 0.000 1.050 131 P CB -0.054 31.349 31.700 -0.495 0.000 1.539 132 Y N -1.732 118.521 120.300 -0.078 0.000 2.588 132 Y HA 0.134 4.684 4.550 -0.000 0.000 0.247 132 Y C 2.057 177.897 175.900 -0.100 0.000 1.157 132 Y CA -0.274 57.730 58.100 -0.161 0.000 1.215 132 Y CB -0.095 38.167 38.460 -0.330 0.000 1.245 132 Y HN -0.265 nan 8.280 nan 0.000 0.534 133 V N -1.277 118.703 119.914 0.110 0.000 2.548 133 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 133 V C 2.034 178.189 176.094 0.102 0.000 1.055 133 V CA 1.506 63.886 62.300 0.134 0.000 1.065 133 V CB -0.630 31.335 31.823 0.237 0.000 0.681 133 V HN 0.208 nan 8.190 nan 0.000 0.462 134 V N 1.257 121.230 119.914 0.098 0.000 2.261 134 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 134 V C 2.846 178.991 176.094 0.087 0.000 1.047 134 V CA 2.617 64.971 62.300 0.090 0.000 1.015 134 V CB -1.377 30.496 31.823 0.083 0.000 0.642 134 V HN 0.797 nan 8.190 nan 0.000 0.446 135 T N -1.818 112.808 114.554 0.120 0.000 2.915 135 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 135 T C 1.734 176.459 174.700 0.041 0.000 1.071 135 T CA 1.328 63.496 62.100 0.112 0.000 1.132 135 T CB -0.267 68.744 68.868 0.238 0.000 0.878 135 T HN 0.477 nan 8.240 nan 0.000 0.479 136 K N 1.036 121.421 120.400 -0.024 0.000 2.137 136 K HA 0.327 4.647 4.320 -0.000 0.000 0.202 136 K C 2.629 179.221 176.600 -0.014 0.000 1.052 136 K CA 0.979 57.181 56.287 -0.142 0.000 0.961 136 K CB -0.142 32.062 32.500 -0.495 0.000 0.741 136 K HN 0.426 nan 8.250 nan 0.000 0.452 137 A N 1.784 124.639 122.820 0.057 0.000 2.095 137 A HA 0.098 4.418 4.320 -0.000 0.000 0.212 137 A C 1.189 178.819 177.584 0.076 0.000 1.162 137 A CA -0.162 51.937 52.037 0.103 0.000 0.753 137 A CB -0.366 18.719 19.000 0.141 0.000 0.840 137 A HN 0.304 nan 8.150 nan 0.000 0.468 138 M N -1.439 118.199 119.600 0.063 0.000 2.252 138 M HA 0.408 4.888 4.480 -0.000 0.000 0.329 138 M C 0.998 177.331 176.300 0.055 0.000 1.101 138 M CA 0.469 55.803 55.300 0.057 0.000 1.117 138 M CB 0.323 32.955 32.600 0.053 0.000 1.563 138 M HN 0.077 nan 8.290 nan 0.000 0.445 139 A N 2.261 125.113 122.820 0.054 0.000 1.978 139 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 139 A C 2.074 179.694 177.584 0.060 0.000 1.170 139 A CA 2.095 54.166 52.037 0.056 0.000 0.636 139 A CB -0.982 18.050 19.000 0.053 0.000 0.810 139 A HN 1.022 nan 8.150 nan 0.000 0.448 140 S N -0.817 114.919 115.700 0.060 0.000 2.634 140 S HA 0.296 4.766 4.470 -0.000 0.000 0.221 140 S C 1.643 176.278 174.600 0.058 0.000 0.952 140 S CA 0.591 58.832 58.200 0.068 0.000 0.930 140 S CB -0.386 62.859 63.200 0.075 0.000 0.780 140 S HN 0.609 nan 8.310 nan 0.000 0.498 141 G N 2.298 111.127 108.800 0.049 0.000 2.513 141 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G C 1.324 176.250 174.900 0.042 0.000 1.160 141 G CA 1.240 46.363 45.100 0.038 0.000 0.767 141 G HN 0.475 nan 8.290 nan 0.000 0.571 142 V N 1.667 121.610 119.914 0.050 0.000 2.324 142 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 142 V C 3.274 179.409 176.094 0.067 0.000 1.060 142 V CA 2.668 65.004 62.300 0.060 0.000 1.042 142 V CB -0.532 31.327 31.823 0.060 0.000 0.650 142 V HN 0.667 nan 8.190 nan 0.000 0.450 143 S N 0.172 115.908 115.700 0.060 0.000 2.406 143 S HA 0.047 4.516 4.470 -0.000 0.000 0.224 143 S C 2.064 176.699 174.600 0.057 0.000 1.030 143 S CA 0.924 59.156 58.200 0.053 0.000 0.958 143 S CB -0.217 63.011 63.200 0.046 0.000 0.811 143 S HN 0.531 nan 8.310 nan 0.000 0.489 144 A N 0.853 123.703 122.820 0.050 0.000 1.930 144 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 144 A C 2.269 179.863 177.584 0.018 0.000 1.175 144 A CA 1.356 53.411 52.037 0.029 0.000 0.627 144 A CB -1.386 17.623 19.000 0.016 0.000 0.815 144 A HN 0.695 nan 8.150 nan 0.000 0.443 145 C N -0.978 118.344 119.300 0.036 0.000 2.522 145 C HA 0.213 4.673 4.460 -0.000 0.000 0.271 145 C C 2.057 177.132 174.990 0.141 0.000 1.425 145 C CA 0.505 59.548 59.018 0.041 0.000 1.751 145 C CB -1.288 26.472 27.740 0.034 0.000 1.775 145 C HN 0.513 nan 8.230 nan 0.000 0.557 146 L N 0.111 121.443 121.223 0.182 0.000 2.526 146 L HA 0.301 4.641 4.340 -0.000 0.000 0.210 146 L C 2.571 179.621 176.870 0.298 0.000 1.048 146 L CA 1.407 56.444 54.840 0.328 0.000 0.852 146 L CB -1.194 41.018 42.059 0.254 0.000 1.128 146 L HN 0.131 nan 8.230 nan 0.000 0.482 147 A N -0.746 122.169 122.820 0.157 0.000 1.933 147 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 147 A C 2.272 179.930 177.584 0.124 0.000 1.175 147 A CA 2.476 54.591 52.037 0.131 0.000 0.628 147 A CB -0.933 18.113 19.000 0.078 0.000 0.814 147 A HN 0.405 nan 8.150 nan 0.000 0.444 148 T N 0.397 114.991 114.554 0.068 0.000 2.668 148 T HA -0.060 4.290 4.350 -0.000 0.000 0.262 148 T C -0.061 174.643 174.700 0.006 0.000 1.045 148 T CA 1.589 63.699 62.100 0.016 0.000 1.152 148 T CB -1.057 67.771 68.868 -0.068 0.000 0.864 148 T HN 0.521 nan 8.240 nan 0.000 0.419 149 P HA 0.018 nan 4.420 nan 0.000 0.221 149 P C 0.792 177.992 177.300 -0.167 0.000 1.150 149 P CA 0.978 64.013 63.100 -0.108 0.000 0.800 149 P CB -0.261 31.370 31.700 -0.114 0.000 0.787 150 F N -0.152 119.824 119.950 0.044 0.000 2.773 150 F HA 0.178 4.705 4.527 -0.000 0.000 0.304 150 F C 0.752 176.574 175.800 0.037 0.000 1.129 150 F CA -0.151 57.870 58.000 0.035 0.000 1.378 150 F CB -0.307 38.651 39.000 -0.071 0.000 1.095 150 F HN -0.244 nan 8.300 nan 0.000 0.565 151 K N 0.475 120.951 120.400 0.127 0.000 3.071 151 K HA -0.185 4.135 4.320 -0.000 0.000 0.265 151 K C -0.564 176.070 176.600 0.057 0.000 1.060 151 K CA 0.221 56.533 56.287 0.042 0.000 0.767 151 K CB -1.810 30.638 32.500 -0.086 0.000 1.241 151 K HN 0.115 nan 8.250 nan 0.000 0.486 152 I N 0.882 121.554 120.570 0.169 0.000 2.533 152 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 152 I C 1.711 177.997 176.117 0.281 0.000 1.109 152 I CA 0.535 61.949 61.300 0.190 0.000 1.412 152 I CB 0.600 38.701 38.000 0.169 0.000 1.396 152 I HN 0.317 nan 8.210 nan 0.000 0.543 153 H N 3.391 122.500 119.070 0.066 0.000 2.874 153 H HA 0.169 4.725 4.556 -0.000 0.000 0.264 153 H C 1.401 176.751 175.328 0.036 0.000 1.007 153 H CA 0.029 56.101 56.048 0.041 0.000 1.207 153 H CB 1.357 31.138 29.762 0.031 0.000 1.487 153 H HN 0.772 nan 8.280 nan 0.000 0.505 154 G N 1.106 109.998 108.800 0.153 0.000 2.873 154 G HA2 0.192 4.152 3.960 -0.000 0.000 0.170 154 G HA3 0.192 4.152 3.960 -0.000 0.000 0.170 154 G C 0.203 175.130 174.900 0.044 0.000 1.608 154 G CA 0.123 45.271 45.100 0.079 0.000 1.084 154 G HN 0.118 nan 8.290 nan 0.000 0.563 155 V N -0.743 119.171 119.914 -0.001 0.000 2.843 155 V HA 0.497 4.617 4.120 -0.000 0.000 0.305 155 V C -0.264 175.754 176.094 -0.127 0.000 1.065 155 V CA -0.406 61.863 62.300 -0.052 0.000 1.116 155 V CB 1.233 32.971 31.823 -0.141 0.000 0.968 155 V HN 0.724 nan 8.190 nan 0.000 0.487 156 N N 3.151 121.775 118.700 -0.126 0.000 2.629 156 N HA 0.502 5.242 4.740 -0.000 0.000 0.277 156 N C -1.181 174.341 175.510 0.020 0.000 1.188 156 N CA -0.557 52.437 53.050 -0.093 0.000 0.835 156 N CB 1.097 39.597 38.487 0.022 0.000 1.420 156 N HN 1.025 nan 8.380 nan 0.000 0.542 157 Y N -1.119 119.202 120.300 0.035 0.000 2.814 157 Y HA 0.650 5.200 4.550 -0.000 0.000 0.348 157 Y C -1.408 174.511 175.900 0.031 0.000 1.245 157 Y CA -1.198 56.920 58.100 0.029 0.000 1.086 157 Y CB 0.367 38.841 38.460 0.023 0.000 1.373 157 Y HN 0.106 nan 8.280 nan 0.000 0.451 158 S N 1.435 117.330 115.700 0.326 0.000 2.503 158 S HA 0.700 5.170 4.470 -0.000 0.000 0.301 158 S C -0.895 173.842 174.600 0.229 0.000 1.087 158 S CA -0.730 57.597 58.200 0.212 0.000 1.042 158 S CB 1.287 64.563 63.200 0.127 0.000 1.043 158 S HN 0.529 nan 8.310 nan 0.000 0.489 159 I N 2.006 122.690 120.570 0.190 0.000 2.392 159 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 159 I C 0.053 176.241 176.117 0.119 0.000 0.985 159 I CA -0.274 61.115 61.300 0.150 0.000 1.221 159 I CB 1.830 39.929 38.000 0.166 0.000 1.366 159 I HN 0.480 nan 8.210 nan 0.000 0.467 160 S N 3.361 119.116 115.700 0.093 0.000 2.594 160 S HA 0.590 5.060 4.470 -0.000 0.000 0.296 160 S C -0.364 174.294 174.600 0.097 0.000 1.124 160 S CA -0.451 57.805 58.200 0.093 0.000 1.011 160 S CB 1.052 64.297 63.200 0.076 0.000 1.016 160 S HN 0.678 nan 8.310 nan 0.000 0.485 161 S N 2.935 118.716 115.700 0.134 0.000 2.607 161 S HA 0.620 5.090 4.470 -0.000 0.000 0.196 161 S C 0.600 175.290 174.600 0.150 0.000 0.911 161 S CA 0.016 58.312 58.200 0.162 0.000 1.133 161 S CB -0.139 63.233 63.200 0.287 0.000 1.612 161 S HN 1.865 nan 8.310 nan 0.000 0.437 162 A N 0.734 123.616 122.820 0.104 0.000 5.308 162 A HA -0.340 3.980 4.320 -0.000 0.000 0.321 162 A C 1.653 179.257 177.584 0.033 0.000 1.849 162 A CA 1.380 53.452 52.037 0.058 0.000 0.713 162 A CB -2.089 16.946 19.000 0.058 0.000 1.360 162 A HN 1.428 nan 8.150 nan 0.000 0.384 163 C N 0.386 119.694 119.300 0.013 0.000 2.539 163 C HA 0.459 4.919 4.460 -0.000 0.000 0.271 163 C C 2.552 177.577 174.990 0.059 0.000 1.412 163 C CA 0.890 59.945 59.018 0.062 0.000 1.729 163 C CB -1.694 26.153 27.740 0.177 0.000 1.739 163 C HN 1.212 nan 8.230 nan 0.000 0.570 164 A N -0.332 122.520 122.820 0.053 0.000 2.343 164 A HA 0.138 4.458 4.320 -0.000 0.000 0.223 164 A C 1.888 179.491 177.584 0.032 0.000 1.214 164 A CA 0.710 52.736 52.037 -0.019 0.000 0.900 164 A CB -0.530 18.463 19.000 -0.010 0.000 0.942 164 A HN 0.411 nan 8.150 nan 0.000 0.507 165 T N 1.602 116.222 114.554 0.110 0.000 2.531 165 T HA -0.288 4.062 4.350 -0.000 0.000 0.261 165 T C 2.283 177.034 174.700 0.085 0.000 1.141 165 T CA 2.821 64.998 62.100 0.128 0.000 1.176 165 T CB -0.587 68.332 68.868 0.086 0.000 0.863 165 T HN 0.820 nan 8.240 nan 0.000 0.424 166 S N 1.653 117.366 115.700 0.022 0.000 2.447 166 S HA 0.127 4.597 4.470 -0.000 0.000 0.233 166 S C 2.300 176.871 174.600 -0.048 0.000 1.006 166 S CA 0.875 59.068 58.200 -0.012 0.000 0.957 166 S CB -0.495 62.682 63.200 -0.038 0.000 0.773 166 S HN 0.580 nan 8.310 nan 0.000 0.507 167 A N 1.842 124.614 122.820 -0.079 0.000 1.872 167 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 167 A C 1.948 179.470 177.584 -0.102 0.000 1.187 167 A CA 1.410 53.368 52.037 -0.131 0.000 0.614 167 A CB -1.132 17.750 19.000 -0.195 0.000 0.826 167 A HN 0.682 nan 8.150 nan 0.000 0.442 168 H N -1.557 117.537 119.070 0.040 0.000 2.421 168 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 168 H C 2.210 177.526 175.328 -0.020 0.000 1.087 168 H CA 1.300 57.397 56.048 0.083 0.000 1.330 168 H CB -0.180 29.661 29.762 0.132 0.000 1.388 168 H HN 0.537 nan 8.280 nan 0.000 0.526 169 C N 0.236 119.591 119.300 0.092 0.000 2.432 169 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 169 C C 2.698 177.643 174.990 -0.077 0.000 1.249 169 C CA 0.825 59.858 59.018 0.025 0.000 1.725 169 C CB -0.796 26.952 27.740 0.013 0.000 2.028 169 C HN 0.534 nan 8.230 nan 0.000 0.477 170 I N 0.863 121.353 120.570 -0.133 0.000 2.252 170 I HA -0.095 4.075 4.170 -0.000 0.000 0.245 170 I C 2.719 178.637 176.117 -0.333 0.000 1.102 170 I CA 1.757 62.938 61.300 -0.198 0.000 1.385 170 I CB -0.983 36.904 38.000 -0.187 0.000 1.064 170 I HN 0.449 nan 8.210 nan 0.000 0.414 171 G N 0.615 109.067 108.800 -0.579 0.000 2.418 171 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.217 171 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.217 171 G C 1.405 175.907 174.900 -0.663 0.000 1.158 171 G CA 1.104 45.400 45.100 -1.340 0.000 0.771 171 G HN 0.314 nan 8.290 nan 0.000 0.545 172 N N 0.665 119.211 118.700 -0.258 0.000 2.166 172 N HA -0.004 4.736 4.740 -0.000 0.000 0.186 172 N C 2.419 177.903 175.510 -0.043 0.000 1.019 172 N CA 1.374 54.417 53.050 -0.011 0.000 0.856 172 N CB -0.239 38.312 38.487 0.107 0.000 0.993 172 N HN 0.275 nan 8.380 nan 0.000 0.426 173 A N -0.168 122.587 122.820 -0.108 0.000 1.902 173 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 173 A C 2.333 179.852 177.584 -0.108 0.000 1.181 173 A CA 1.427 53.396 52.037 -0.114 0.000 0.623 173 A CB -0.890 18.023 19.000 -0.146 0.000 0.818 173 A HN 0.153 nan 8.150 nan 0.000 0.443 174 V N 0.136 119.966 119.914 -0.139 0.000 2.332 174 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 174 V C 2.405 178.479 176.094 -0.033 0.000 1.055 174 V CA 2.380 64.621 62.300 -0.098 0.000 1.038 174 V CB -0.898 30.854 31.823 -0.119 0.000 0.651 174 V HN 0.649 nan 8.190 nan 0.000 0.450 175 E N -0.567 119.632 120.200 -0.002 0.000 2.118 175 E HA -0.252 4.097 4.350 -0.000 0.000 0.195 175 E C 2.397 179.014 176.600 0.028 0.000 0.992 175 E CA 1.161 57.592 56.400 0.051 0.000 0.804 175 E CB -0.146 29.616 29.700 0.103 0.000 0.741 175 E HN 0.552 nan 8.360 nan 0.000 0.458 176 Q N 0.132 119.937 119.800 0.009 0.000 2.124 176 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 176 Q C 2.223 178.213 176.000 -0.018 0.000 0.977 176 Q CA 0.885 56.689 55.803 0.001 0.000 0.850 176 Q CB -0.089 28.638 28.738 -0.018 0.000 0.901 176 Q HN 0.348 nan 8.270 nan 0.000 0.429 177 I N 0.936 121.484 120.570 -0.036 0.000 2.252 177 I HA -0.218 3.951 4.170 -0.000 0.000 0.245 177 I C 2.178 178.284 176.117 -0.017 0.000 1.102 177 I CA 1.239 62.514 61.300 -0.042 0.000 1.385 177 I CB -1.043 36.922 38.000 -0.058 0.000 1.064 177 I HN 0.294 nan 8.210 nan 0.000 0.414 178 Q N 0.287 120.086 119.800 -0.003 0.000 2.167 178 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 178 Q C 2.133 178.141 176.000 0.012 0.000 0.970 178 Q CA 0.976 56.785 55.803 0.010 0.000 0.855 178 Q CB -0.055 28.698 28.738 0.026 0.000 0.911 178 Q HN 0.465 nan 8.270 nan 0.000 0.438 179 L N -0.343 120.889 121.223 0.015 0.000 2.599 179 L HA 0.104 4.444 4.340 -0.000 0.000 0.230 179 L C 1.144 178.021 176.870 0.010 0.000 1.141 179 L CA 0.345 55.195 54.840 0.016 0.000 0.877 179 L CB -0.216 41.858 42.059 0.024 0.000 1.009 179 L HN 0.400 nan 8.230 nan 0.000 0.447 180 G N 0.282 109.084 108.800 0.004 0.000 2.166 180 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 180 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 180 G C 1.058 175.958 174.900 0.001 0.000 0.986 180 G CA 0.697 45.798 45.100 0.001 0.000 0.683 180 G HN 0.411 nan 8.290 nan 0.000 0.527 181 K N -0.885 119.516 120.400 0.002 0.000 2.305 181 K HA 0.083 4.403 4.320 -0.000 0.000 0.199 181 K C 0.935 177.530 176.600 -0.008 0.000 1.047 181 K CA 0.824 57.114 56.287 0.005 0.000 0.976 181 K CB 0.070 32.581 32.500 0.018 0.000 0.765 181 K HN 0.449 nan 8.250 nan 0.000 0.474 182 Q N -0.418 119.364 119.800 -0.030 0.000 2.379 182 Q HA 0.135 4.475 4.340 -0.000 0.000 0.278 182 Q C -0.606 175.332 176.000 -0.102 0.000 1.068 182 Q CA -0.357 55.409 55.803 -0.061 0.000 0.816 182 Q CB 2.012 30.708 28.738 -0.071 0.000 1.387 182 Q HN -0.047 nan 8.270 nan 0.000 0.413 183 D N 0.339 120.642 120.400 -0.161 0.000 2.338 183 D HA 0.280 4.920 4.640 -0.000 0.000 0.208 183 D C 0.270 176.358 176.300 -0.354 0.000 0.997 183 D CA 0.828 54.661 54.000 -0.278 0.000 0.880 183 D CB 1.347 41.873 40.800 -0.457 0.000 0.980 183 D HN 0.365 nan 8.370 nan 0.000 0.509 184 I N 0.538 120.919 120.570 -0.314 0.000 2.692 184 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 184 I C -1.326 174.582 176.117 -0.348 0.000 1.200 184 I CA -0.754 60.322 61.300 -0.375 0.000 1.036 184 I CB 3.383 41.114 38.000 -0.449 0.000 1.258 184 I HN -0.424 nan 8.210 nan 0.000 0.421 185 V N 5.740 125.408 119.914 -0.409 0.000 2.567 185 V HA 0.372 4.491 4.120 -0.000 0.000 0.298 185 V C -0.711 175.147 176.094 -0.394 0.000 1.047 185 V CA -0.569 61.544 62.300 -0.312 0.000 0.880 185 V CB 1.658 33.364 31.823 -0.195 0.000 1.009 185 V HN 0.385 nan 8.190 nan 0.000 0.429 186 F N 3.449 123.290 119.950 -0.183 0.000 2.472 186 F HA 0.649 5.176 4.527 -0.000 0.000 0.364 186 F C 0.802 176.494 175.800 -0.179 0.000 1.090 186 F CA 0.116 57.991 58.000 -0.209 0.000 1.188 186 F CB 0.952 39.782 39.000 -0.282 0.000 1.105 186 F HN 0.574 nan 8.300 nan 0.000 0.536 187 A N 2.450 125.243 122.820 -0.044 0.000 2.386 187 A HA 0.950 5.270 4.320 -0.000 0.000 0.311 187 A C 0.046 177.593 177.584 -0.061 0.000 1.068 187 A CA 0.090 52.087 52.037 -0.066 0.000 0.743 187 A CB 1.503 20.438 19.000 -0.108 0.000 1.258 187 A HN 1.079 nan 8.150 nan 0.000 0.429 188 G N -0.455 108.315 108.800 -0.050 0.000 2.455 188 G HA2 0.697 4.657 3.960 -0.000 0.000 0.223 188 G HA3 0.697 4.657 3.960 -0.000 0.000 0.223 188 G C -0.119 174.769 174.900 -0.021 0.000 1.226 188 G CA 0.450 45.520 45.100 -0.050 0.000 0.948 188 G HN 2.396 nan 8.290 nan 0.000 0.478 189 G N -2.144 106.650 108.800 -0.010 0.000 2.340 189 G HA2 0.826 4.786 3.960 -0.000 0.000 0.299 189 G HA3 0.826 4.786 3.960 -0.000 0.000 0.299 189 G C -0.447 174.479 174.900 0.043 0.000 1.291 189 G CA 0.788 45.900 45.100 0.021 0.000 0.841 189 G HN 2.166 nan 8.290 nan 0.000 0.500 190 G N -1.376 107.465 108.800 0.069 0.000 2.660 190 G HA2 0.697 4.657 3.960 -0.000 0.000 0.290 190 G HA3 0.697 4.657 3.960 -0.000 0.000 0.290 190 G C -1.953 173.017 174.900 0.118 0.000 1.432 190 G CA -0.204 44.969 45.100 0.122 0.000 0.807 190 G HN 0.761 nan 8.290 nan 0.000 0.485 191 E N -0.454 119.856 120.200 0.183 0.000 2.347 191 E HA 0.360 4.710 4.350 -0.000 0.000 0.285 191 E C -0.319 176.407 176.600 0.211 0.000 0.925 191 E CA -0.666 55.817 56.400 0.137 0.000 0.779 191 E CB 1.562 31.307 29.700 0.075 0.000 1.233 191 E HN 0.716 nan 8.360 nan 0.000 0.414 192 E N 2.955 123.230 120.200 0.126 0.000 2.342 192 E HA 0.437 4.787 4.350 -0.000 0.000 0.257 192 E C -0.758 175.904 176.600 0.104 0.000 1.150 192 E CA -0.850 55.622 56.400 0.119 0.000 0.926 192 E CB 1.187 30.906 29.700 0.031 0.000 1.074 192 E HN 0.249 nan 8.360 nan 0.000 0.449 193 L N 2.058 123.321 121.223 0.067 0.000 2.372 193 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 193 L C -1.382 175.519 176.870 0.053 0.000 0.989 193 L CA -0.347 54.495 54.840 0.003 0.000 0.841 193 L CB 0.853 42.779 42.059 -0.221 0.000 1.225 193 L HN 0.921 nan 8.230 nan 0.000 0.414 194 C N 2.057 121.441 119.300 0.141 0.000 3.239 194 C HA 0.455 4.915 4.460 -0.000 0.000 0.329 194 C C 1.123 176.202 174.990 0.148 0.000 1.252 194 C CA -0.948 58.154 59.018 0.140 0.000 1.323 194 C CB 0.702 28.395 27.740 -0.078 0.000 1.663 194 C HN 1.047 nan 8.230 nan 0.000 0.487 195 W N 1.040 122.455 121.300 0.191 0.000 2.374 195 W HA -0.012 4.648 4.660 -0.000 0.000 0.288 195 W C 1.081 177.667 176.519 0.113 0.000 1.218 195 W CA 1.858 59.281 57.345 0.130 0.000 1.245 195 W CB -1.164 28.334 29.460 0.063 0.000 1.126 195 W HN 0.881 nan 8.180 nan 0.000 0.545 196 E N 0.902 120.443 120.200 -1.097 0.000 2.086 196 E HA -0.301 4.049 4.350 -0.000 0.000 0.205 196 E C 2.360 178.786 176.600 -0.290 0.000 1.027 196 E CA 3.108 58.899 56.400 -1.014 0.000 0.830 196 E CB -0.837 28.332 29.700 -0.884 0.000 0.751 196 E HN 0.388 nan 8.360 nan 0.000 0.456 197 M N -0.587 118.940 119.600 -0.122 0.000 2.248 197 M HA 0.058 4.538 4.480 -0.000 0.000 0.265 197 M C 2.104 178.547 176.300 0.240 0.000 1.079 197 M CA 1.378 56.715 55.300 0.062 0.000 1.150 197 M CB 0.079 32.753 32.600 0.122 0.000 1.366 197 M HN 0.155 nan 8.290 nan 0.000 0.433 198 A N 0.610 123.592 122.820 0.270 0.000 1.883 198 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 198 A C 2.367 180.143 177.584 0.320 0.000 1.186 198 A CA 1.919 54.170 52.037 0.357 0.000 0.624 198 A CB -1.835 17.347 19.000 0.303 0.000 0.822 198 A HN 0.884 nan 8.150 nan 0.000 0.444 199 C N -0.349 119.112 119.300 0.268 0.000 2.410 199 C HA -0.079 4.381 4.460 -0.000 0.000 0.281 199 C C 2.148 177.233 174.990 0.159 0.000 1.318 199 C CA 1.026 60.182 59.018 0.230 0.000 1.776 199 C CB -1.635 26.285 27.740 0.299 0.000 1.942 199 C HN 0.662 nan 8.230 nan 0.000 0.508 200 E N 0.352 120.616 120.200 0.108 0.000 2.106 200 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 200 E C 1.732 178.293 176.600 -0.066 0.000 0.984 200 E CA 1.330 57.714 56.400 -0.027 0.000 0.806 200 E CB -0.325 29.283 29.700 -0.153 0.000 0.750 200 E HN 0.768 nan 8.360 nan 0.000 0.458 201 F N 1.250 121.264 119.950 0.107 0.000 2.234 201 F HA -0.091 4.436 4.527 -0.000 0.000 0.296 201 F C 2.214 178.033 175.800 0.032 0.000 1.089 201 F CA 0.942 59.002 58.000 0.101 0.000 1.343 201 F CB -0.102 38.939 39.000 0.068 0.000 1.040 201 F HN -0.063 nan 8.300 nan 0.000 0.498 202 D N 0.283 120.807 120.400 0.208 0.000 2.144 202 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 202 D C 2.222 178.574 176.300 0.086 0.000 0.984 202 D CA 1.207 55.273 54.000 0.110 0.000 0.834 202 D CB -0.201 40.664 40.800 0.109 0.000 0.955 202 D HN 0.164 nan 8.370 nan 0.000 0.465 203 A N 0.526 123.397 122.820 0.086 0.000 2.125 203 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 203 A C 2.104 179.717 177.584 0.048 0.000 1.156 203 A CA 1.479 53.551 52.037 0.059 0.000 0.671 203 A CB -0.693 18.337 19.000 0.050 0.000 0.794 203 A HN 0.508 nan 8.150 nan 0.000 0.459 204 M N -3.513 116.125 119.600 0.063 0.000 2.404 204 M HA 0.475 4.955 4.480 -0.000 0.000 0.271 204 M C 0.986 177.328 176.300 0.071 0.000 1.128 204 M CA 0.565 55.899 55.300 0.058 0.000 0.982 204 M CB 0.147 32.782 32.600 0.059 0.000 1.445 204 M HN 0.525 nan 8.290 nan 0.000 0.495 205 G N 1.015 109.855 108.800 0.066 0.000 2.168 205 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 205 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.257 205 G C 0.833 175.762 174.900 0.049 0.000 0.997 205 G CA 0.496 45.626 45.100 0.049 0.000 0.708 205 G HN 0.790 nan 8.290 nan 0.000 0.520 206 A N -0.921 121.942 122.820 0.072 0.000 2.119 206 A HA 0.600 4.920 4.320 -0.000 0.000 0.216 206 A C 1.305 178.687 177.584 -0.337 0.000 1.152 206 A CA 0.778 52.829 52.037 0.023 0.000 0.708 206 A CB 0.084 19.259 19.000 0.291 0.000 0.805 206 A HN 0.645 nan 8.150 nan 0.000 0.460 207 L N -0.199 120.855 121.223 -0.281 0.000 2.360 207 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 207 L C 0.730 177.523 176.870 -0.128 0.000 1.057 207 L CA -0.576 54.059 54.840 -0.342 0.000 0.803 207 L CB 1.557 43.487 42.059 -0.216 0.000 1.207 207 L HN 0.158 nan 8.230 nan 0.000 0.445 208 S N 0.000 115.655 115.700 -0.075 0.000 2.549 208 S HA 0.190 4.660 4.470 -0.000 0.000 0.279 208 S C 0.690 175.303 174.600 0.023 0.000 1.321 208 S CA 0.155 58.376 58.200 0.035 0.000 1.054 208 S CB 0.555 63.812 63.200 0.094 0.000 0.899 208 S HN 0.822 nan 8.310 nan 0.000 0.497 209 T N 1.286 115.855 114.554 0.024 0.000 3.041 209 T HA 0.344 4.694 4.350 -0.000 0.000 0.276 209 T C 0.784 175.429 174.700 -0.093 0.000 0.948 209 T CA -0.436 61.627 62.100 -0.061 0.000 0.885 209 T CB -0.110 68.710 68.868 -0.080 0.000 1.175 209 T HN 0.600 nan 8.240 nan 0.000 0.529 210 K N 0.243 120.595 120.400 -0.079 0.000 2.404 210 K HA 0.249 4.569 4.320 -0.000 0.000 0.194 210 K C -0.370 175.921 176.600 -0.515 0.000 1.023 210 K CA 0.251 56.352 56.287 -0.310 0.000 1.094 210 K CB 0.210 32.452 32.500 -0.431 0.000 0.841 210 K HN 0.443 nan 8.250 nan 0.000 0.523 211 Y N -0.041 120.251 120.300 -0.012 0.000 2.713 211 Y HA 0.216 4.766 4.550 -0.000 0.000 0.269 211 Y C 0.813 176.730 175.900 0.027 0.000 1.106 211 Y CA -0.711 57.394 58.100 0.008 0.000 1.174 211 Y CB 0.004 38.476 38.460 0.020 0.000 1.186 211 Y HN -0.009 nan 8.280 nan 0.000 0.555 212 N N 0.617 119.374 118.700 0.096 0.000 2.289 212 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 212 N C 0.980 176.600 175.510 0.183 0.000 1.016 212 N CA 1.375 54.515 53.050 0.150 0.000 0.872 212 N CB 0.074 38.615 38.487 0.091 0.000 0.973 212 N HN 0.463 nan 8.380 nan 0.000 0.433 213 D N -0.130 120.328 120.400 0.096 0.000 2.269 213 D HA -0.036 4.604 4.640 -0.000 0.000 0.208 213 D C 0.506 176.848 176.300 0.070 0.000 0.963 213 D CA 0.911 54.942 54.000 0.052 0.000 0.864 213 D CB 0.062 40.868 40.800 0.010 0.000 0.936 213 D HN 0.324 nan 8.370 nan 0.000 0.505 214 T N -1.821 112.804 114.554 0.118 0.000 3.401 214 T HA 0.349 4.699 4.350 -0.000 0.000 0.341 214 T C -2.299 172.488 174.700 0.145 0.000 1.674 214 T CA -1.769 60.403 62.100 0.121 0.000 1.600 214 T CB 1.861 70.807 68.868 0.131 0.000 0.974 214 T HN -0.278 nan 8.240 nan 0.000 0.672 215 P HA -0.169 nan 4.420 nan 0.000 0.216 215 P C 1.237 178.599 177.300 0.103 0.000 1.154 215 P CA 1.327 64.518 63.100 0.151 0.000 0.865 215 P CB 0.109 31.918 31.700 0.182 0.000 0.789 216 E N -0.923 119.324 120.200 0.079 0.000 2.516 216 E HA -0.084 4.266 4.350 -0.000 0.000 0.199 216 E C 1.173 177.777 176.600 0.006 0.000 1.069 216 E CA 0.512 56.938 56.400 0.043 0.000 0.876 216 E CB -0.129 29.593 29.700 0.037 0.000 0.843 216 E HN 0.292 nan 8.360 nan 0.000 0.530 217 K N -0.483 119.916 120.400 -0.002 0.000 2.373 217 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 217 K C 1.629 178.066 176.600 -0.272 0.000 1.054 217 K CA 0.317 56.548 56.287 -0.092 0.000 1.065 217 K CB 0.710 33.192 32.500 -0.031 0.000 0.886 217 K HN 0.007 nan 8.250 nan 0.000 0.546 218 A N 1.504 124.243 122.820 -0.135 0.000 1.865 218 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 218 A C 1.510 178.982 177.584 -0.186 0.000 1.191 218 A CA 1.365 53.309 52.037 -0.155 0.000 0.623 218 A CB -0.318 18.726 19.000 0.073 0.000 0.826 218 A HN 0.184 nan 8.150 nan 0.000 0.444 219 S N 0.699 116.344 115.700 -0.091 0.000 2.422 219 S HA 0.390 4.860 4.470 -0.000 0.000 0.283 219 S C 0.316 174.844 174.600 -0.120 0.000 1.163 219 S CA -0.572 57.586 58.200 -0.070 0.000 1.054 219 S CB -0.190 62.996 63.200 -0.022 0.000 0.967 219 S HN 0.484 nan 8.310 nan 0.000 0.499 220 R N 2.939 123.355 120.500 -0.139 0.000 2.638 220 R HA 0.203 4.543 4.340 -0.000 0.000 0.261 220 R C -0.751 175.470 176.300 -0.132 0.000 1.515 220 R CA -0.634 55.385 56.100 -0.135 0.000 1.623 220 R CB -0.825 29.370 30.300 -0.176 0.000 1.347 220 R HN 0.421 nan 8.270 nan 0.000 0.705 221 T N 2.260 116.689 114.554 -0.209 0.000 2.891 221 T HA -0.074 4.276 4.350 -0.000 0.000 0.296 221 T C -0.004 174.453 174.700 -0.405 0.000 1.025 221 T CA 0.964 62.803 62.100 -0.436 0.000 1.149 221 T CB -0.110 68.355 68.868 -0.671 0.000 1.007 221 T HN 0.560 nan 8.240 nan 0.000 0.528 222 Y N -1.247 119.061 120.300 0.013 0.000 4.779 222 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 222 Y C 0.772 176.679 175.900 0.012 0.000 0.973 222 Y CA 0.523 58.632 58.100 0.014 0.000 1.792 222 Y CB -2.223 36.244 38.460 0.012 0.000 1.120 222 Y HN 0.776 nan 8.280 nan 0.000 0.450 223 D N 0.765 121.224 120.400 0.097 0.000 2.424 223 D HA 0.503 5.143 4.640 -0.000 0.000 0.244 223 D C 1.302 177.637 176.300 0.059 0.000 1.134 223 D CA 0.856 54.906 54.000 0.083 0.000 0.881 223 D CB 1.230 42.062 40.800 0.053 0.000 1.191 223 D HN 0.312 nan 8.370 nan 0.000 0.445 224 A N 3.339 126.175 122.820 0.028 0.000 2.076 224 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 224 A C 1.094 178.496 177.584 -0.303 0.000 1.160 224 A CA 1.408 53.363 52.037 -0.135 0.000 0.653 224 A CB -0.557 18.315 19.000 -0.212 0.000 0.801 224 A HN 0.780 nan 8.150 nan 0.000 0.455 225 H N -0.517 118.606 119.070 0.087 0.000 2.488 225 H HA 0.200 4.756 4.556 -0.000 0.000 0.294 225 H C 0.438 175.860 175.328 0.156 0.000 1.088 225 H CA -0.333 55.795 56.048 0.134 0.000 1.086 225 H CB 0.045 29.921 29.762 0.189 0.000 1.569 225 H HN 0.599 nan 8.280 nan 0.000 0.548 226 R N 1.302 121.879 120.500 0.129 0.000 2.679 226 R HA 0.047 4.387 4.340 -0.000 0.000 0.268 226 R C -0.472 175.912 176.300 0.141 0.000 1.044 226 R CA 0.271 56.424 56.100 0.087 0.000 1.105 226 R CB 0.479 30.794 30.300 0.025 0.000 0.989 226 R HN 0.223 nan 8.270 nan 0.000 0.447 227 D N 0.385 120.879 120.400 0.157 0.000 2.865 227 D HA 0.234 4.874 4.640 -0.000 0.000 0.347 227 D C 0.068 176.426 176.300 0.097 0.000 1.498 227 D CA -0.015 54.073 54.000 0.145 0.000 0.787 227 D CB 0.455 41.372 40.800 0.195 0.000 1.190 227 D HN 0.912 nan 8.370 nan 0.000 0.445 228 G N 0.377 109.228 108.800 0.086 0.000 2.392 228 G HA2 0.235 4.195 3.960 -0.000 0.000 0.677 228 G HA3 0.235 4.195 3.960 -0.000 0.000 0.677 228 G C -0.639 174.307 174.900 0.078 0.000 1.334 228 G CA -0.711 44.421 45.100 0.054 0.000 0.961 228 G HN 0.318 nan 8.290 nan 0.000 0.616 229 F N -0.550 119.441 119.950 0.068 0.000 2.370 229 F HA 0.802 5.329 4.527 -0.000 0.000 0.319 229 F C 0.274 176.097 175.800 0.038 0.000 1.129 229 F CA -1.560 56.463 58.000 0.039 0.000 1.109 229 F CB 1.318 40.360 39.000 0.071 0.000 1.262 229 F HN 0.388 nan 8.300 nan 0.000 0.534 230 V N 4.688 124.802 119.914 0.334 0.000 2.333 230 V HA 0.227 4.347 4.120 -0.000 0.000 0.274 230 V C 0.375 176.672 176.094 0.338 0.000 1.028 230 V CA -0.822 61.613 62.300 0.225 0.000 0.851 230 V CB 0.818 32.736 31.823 0.159 0.000 1.000 230 V HN 0.861 nan 8.190 nan 0.000 0.456 231 I N 4.728 125.470 120.570 0.287 0.000 2.872 231 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 231 I C 0.548 176.776 176.117 0.184 0.000 1.216 231 I CA 0.641 62.090 61.300 0.248 0.000 1.424 231 I CB 0.745 38.841 38.000 0.160 0.000 1.351 231 I HN 0.789 nan 8.210 nan 0.000 0.592 232 A N 4.859 127.729 122.820 0.083 0.000 2.593 232 A HA 0.871 5.191 4.320 -0.000 0.000 0.290 232 A C -0.623 176.936 177.584 -0.042 0.000 1.126 232 A CA -0.090 51.954 52.037 0.011 0.000 0.695 232 A CB 1.330 20.339 19.000 0.015 0.000 1.290 232 A HN 0.846 nan 8.150 nan 0.000 0.414 233 G N -1.695 107.036 108.800 -0.114 0.000 2.658 233 G HA2 0.921 4.881 3.960 -0.000 0.000 0.292 233 G HA3 0.921 4.881 3.960 -0.000 0.000 0.292 233 G C -0.090 174.677 174.900 -0.222 0.000 1.320 233 G CA -0.214 44.835 45.100 -0.086 0.000 0.933 233 G HN 2.247 nan 8.290 nan 0.000 0.476 234 G N -1.958 106.703 108.800 -0.233 0.000 2.350 234 G HA2 0.632 4.592 3.960 -0.000 0.000 0.282 234 G HA3 0.632 4.592 3.960 -0.000 0.000 0.282 234 G C -0.403 174.454 174.900 -0.072 0.000 1.314 234 G CA 0.228 45.050 45.100 -0.463 0.000 0.915 234 G HN 1.929 nan 8.290 nan 0.000 0.499 235 G N -1.893 106.865 108.800 -0.070 0.000 2.684 235 G HA2 1.013 4.973 3.960 -0.000 0.000 0.290 235 G HA3 1.013 4.973 3.960 -0.000 0.000 0.290 235 G C -0.383 174.502 174.900 -0.025 0.000 1.425 235 G CA 0.329 45.453 45.100 0.040 0.000 0.822 235 G HN 2.059 nan 8.290 nan 0.000 0.482 236 G N -1.345 107.438 108.800 -0.028 0.000 2.673 236 G HA2 0.694 4.654 3.960 -0.000 0.000 0.292 236 G HA3 0.694 4.654 3.960 -0.000 0.000 0.292 236 G C -1.714 173.146 174.900 -0.066 0.000 1.450 236 G CA -0.627 44.429 45.100 -0.073 0.000 0.837 236 G HN 0.940 nan 8.290 nan 0.000 0.505 237 M N 0.700 120.250 119.600 -0.082 0.000 2.373 237 M HA 0.598 5.078 4.480 -0.000 0.000 0.290 237 M C -1.031 175.220 176.300 -0.083 0.000 1.143 237 M CA -0.596 54.660 55.300 -0.074 0.000 0.949 237 M CB 2.251 34.805 32.600 -0.077 0.000 1.756 237 M HN 1.186 nan 8.290 nan 0.000 0.494 238 V N 1.457 121.321 119.914 -0.083 0.000 3.001 238 V HA 0.924 5.044 4.120 -0.000 0.000 0.314 238 V C -1.175 174.857 176.094 -0.104 0.000 1.099 238 V CA -0.926 61.313 62.300 -0.101 0.000 0.989 238 V CB 1.955 33.697 31.823 -0.135 0.000 1.040 238 V HN 0.597 nan 8.190 nan 0.000 0.434 239 V N 3.178 123.018 119.914 -0.124 0.000 2.318 239 V HA 0.355 4.475 4.120 -0.000 0.000 0.271 239 V C 0.120 176.073 176.094 -0.234 0.000 1.030 239 V CA -0.394 61.751 62.300 -0.259 0.000 0.844 239 V CB 1.038 32.717 31.823 -0.241 0.000 1.015 239 V HN 0.723 nan 8.190 nan 0.000 0.460 240 V N 5.085 124.834 119.914 -0.275 0.000 2.406 240 V HA 0.420 4.540 4.120 -0.000 0.000 0.272 240 V C 0.138 176.089 176.094 -0.239 0.000 1.043 240 V CA -0.207 61.968 62.300 -0.210 0.000 0.915 240 V CB 1.169 32.878 31.823 -0.189 0.000 0.988 240 V HN 0.970 nan 8.190 nan 0.000 0.466 241 E N 3.073 123.167 120.200 -0.176 0.000 2.293 241 E HA 0.331 4.681 4.350 -0.000 0.000 0.270 241 E C -0.688 175.850 176.600 -0.103 0.000 0.879 241 E CA -0.758 55.541 56.400 -0.169 0.000 0.756 241 E CB 1.747 31.363 29.700 -0.139 0.000 1.208 241 E HN 0.678 nan 8.360 nan 0.000 0.428 242 E N 3.902 124.043 120.200 -0.098 0.000 2.376 242 E HA -0.038 4.312 4.350 -0.000 0.000 0.266 242 E C 0.843 177.447 176.600 0.006 0.000 1.009 242 E CA -0.095 56.281 56.400 -0.040 0.000 0.902 242 E CB 1.070 30.752 29.700 -0.031 0.000 0.972 242 E HN 0.645 nan 8.360 nan 0.000 0.439 243 L N 5.901 127.123 121.223 -0.002 0.000 1.997 243 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 243 L C 1.929 178.810 176.870 0.017 0.000 1.074 243 L CA 2.012 56.853 54.840 0.001 0.000 0.763 243 L CB -0.404 41.651 42.059 -0.007 0.000 0.890 243 L HN 0.578 nan 8.230 nan 0.000 0.434 244 E N -1.188 119.027 120.200 0.026 0.000 2.077 244 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 244 E C 2.219 178.838 176.600 0.032 0.000 0.989 244 E CA 1.457 57.869 56.400 0.021 0.000 0.800 244 E CB -0.743 28.970 29.700 0.021 0.000 0.746 244 E HN 0.684 nan 8.360 nan 0.000 0.452 245 H N 0.792 119.845 119.070 -0.027 0.000 2.352 245 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 245 H C 1.895 177.204 175.328 -0.031 0.000 1.097 245 H CA 1.748 57.780 56.048 -0.027 0.000 1.311 245 H CB 0.147 29.890 29.762 -0.033 0.000 1.377 245 H HN 0.132 nan 8.280 nan 0.000 0.504 246 A N 1.182 124.076 122.820 0.124 0.000 1.855 246 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 246 A C 2.921 180.501 177.584 -0.006 0.000 1.191 246 A CA 1.267 53.338 52.037 0.057 0.000 0.613 246 A CB -0.906 18.104 19.000 0.017 0.000 0.829 246 A HN 0.404 nan 8.150 nan 0.000 0.442 247 L N -0.648 120.566 121.223 -0.016 0.000 2.042 247 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 247 L C 3.120 179.964 176.870 -0.043 0.000 1.076 247 L CA 1.122 55.945 54.840 -0.028 0.000 0.749 247 L CB -0.723 41.321 42.059 -0.024 0.000 0.893 247 L HN 0.448 nan 8.230 nan 0.000 0.432 248 A N 1.227 124.009 122.820 -0.065 0.000 1.917 248 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 248 A C 2.273 179.803 177.584 -0.090 0.000 1.182 248 A CA 2.114 54.097 52.037 -0.089 0.000 0.633 248 A CB -0.616 18.300 19.000 -0.140 0.000 0.819 248 A HN 0.599 nan 8.150 nan 0.000 0.448 249 R N -1.033 119.405 120.500 -0.102 0.000 2.334 249 R HA 0.325 4.665 4.340 -0.000 0.000 0.220 249 R C 0.975 177.256 176.300 -0.031 0.000 0.917 249 R CA 0.699 56.757 56.100 -0.069 0.000 1.073 249 R CB -0.695 29.563 30.300 -0.071 0.000 1.056 249 R HN 0.862 nan 8.270 nan 0.000 0.506 250 G N 0.745 109.528 108.800 -0.029 0.000 2.221 250 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.265 250 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.265 250 G C 0.265 175.163 174.900 -0.003 0.000 1.041 250 G CA 0.148 45.239 45.100 -0.015 0.000 0.807 250 G HN 0.715 nan 8.290 nan 0.000 0.502 251 A N -0.240 122.578 122.820 -0.003 0.000 2.445 251 A HA 0.557 4.877 4.320 -0.000 0.000 0.242 251 A C 0.468 178.049 177.584 -0.004 0.000 1.075 251 A CA 0.404 52.446 52.037 0.007 0.000 0.777 251 A CB 0.240 19.243 19.000 0.005 0.000 1.013 251 A HN 1.460 nan 8.150 nan 0.000 0.493 252 H N 1.397 120.410 119.070 -0.095 0.000 2.767 252 H HA 0.477 5.033 4.556 -0.000 0.000 0.316 252 H C -0.650 174.550 175.328 -0.213 0.000 1.059 252 H CA -0.238 55.708 56.048 -0.170 0.000 1.461 252 H CB 0.062 29.688 29.762 -0.226 0.000 1.475 252 H HN 0.432 nan 8.280 nan 0.000 0.531 253 I N 7.039 127.185 120.570 -0.707 0.000 2.339 253 I HA 0.031 4.200 4.170 -0.000 0.000 0.290 253 I C 0.058 175.761 176.117 -0.689 0.000 0.994 253 I CA -0.509 60.466 61.300 -0.542 0.000 1.191 253 I CB 0.935 38.790 38.000 -0.243 0.000 1.343 253 I HN 0.729 nan 8.210 nan 0.000 0.458 254 Y N 5.089 125.143 120.300 -0.410 0.000 2.153 254 Y HA 0.200 4.750 4.550 -0.000 0.000 0.289 254 Y C 1.282 177.092 175.900 -0.149 0.000 1.127 254 Y CA 1.101 59.055 58.100 -0.244 0.000 1.131 254 Y CB 0.094 38.479 38.460 -0.126 0.000 0.995 254 Y HN 0.676 nan 8.280 nan 0.000 0.505 255 A N -0.985 121.861 122.820 0.043 0.000 2.511 255 A HA 0.437 4.757 4.320 -0.000 0.000 0.293 255 A C -1.508 176.070 177.584 -0.009 0.000 1.098 255 A CA -0.806 51.236 52.037 0.008 0.000 0.643 255 A CB 0.774 19.789 19.000 0.026 0.000 1.302 255 A HN 0.059 nan 8.150 nan 0.000 0.446 256 E N 0.552 120.746 120.200 -0.010 0.000 2.195 256 E HA 0.523 4.873 4.350 -0.000 0.000 0.271 256 E C -1.016 175.579 176.600 -0.007 0.000 0.923 256 E CA -0.750 55.642 56.400 -0.014 0.000 0.790 256 E CB 0.862 30.555 29.700 -0.011 0.000 1.155 256 E HN 0.471 nan 8.360 nan 0.000 0.402 257 I N 6.510 127.072 120.570 -0.014 0.000 2.311 257 I HA -0.010 4.160 4.170 -0.000 0.000 0.297 257 I C 1.213 177.340 176.117 0.017 0.000 1.131 257 I CA 0.161 61.457 61.300 -0.006 0.000 1.289 257 I CB 0.174 38.157 38.000 -0.029 0.000 1.446 257 I HN 0.474 nan 8.210 nan 0.000 0.524 258 V N 3.180 123.111 119.914 0.028 0.000 3.608 258 V HA 0.491 4.611 4.120 -0.000 0.000 0.269 258 V C 0.796 176.926 176.094 0.060 0.000 1.245 258 V CA 0.355 62.679 62.300 0.038 0.000 1.138 258 V CB -0.054 31.788 31.823 0.033 0.000 0.841 258 V HN 0.696 nan 8.190 nan 0.000 0.451 259 G N -0.480 108.366 108.800 0.076 0.000 2.766 259 G HA2 0.522 4.482 3.960 -0.000 0.000 0.297 259 G HA3 0.522 4.482 3.960 -0.000 0.000 0.297 259 G C -2.267 172.738 174.900 0.174 0.000 1.431 259 G CA -0.520 44.643 45.100 0.105 0.000 1.042 259 G HN 0.284 nan 8.290 nan 0.000 0.542 260 Y N 1.628 121.943 120.300 0.027 0.000 2.332 260 Y HA 0.698 5.248 4.550 -0.000 0.000 0.325 260 Y C -0.087 175.841 175.900 0.046 0.000 1.054 260 Y CA -1.286 56.830 58.100 0.027 0.000 1.119 260 Y CB 1.784 40.261 38.460 0.029 0.000 1.168 260 Y HN 0.806 nan 8.280 nan 0.000 0.439 261 G N 3.084 111.787 108.800 -0.162 0.000 2.416 261 G HA2 0.751 4.710 3.960 -0.000 0.000 0.329 261 G HA3 0.751 4.710 3.960 -0.000 0.000 0.329 261 G C -1.678 173.024 174.900 -0.331 0.000 1.173 261 G CA -0.640 44.300 45.100 -0.266 0.000 0.929 261 G HN 1.147 nan 8.290 nan 0.000 0.475 262 A N 1.427 124.080 122.820 -0.277 0.000 2.476 262 A HA 0.815 5.135 4.320 -0.000 0.000 0.280 262 A C -0.013 177.571 177.584 -0.001 0.000 1.081 262 A CA -0.044 51.967 52.037 -0.045 0.000 0.753 262 A CB 1.086 20.057 19.000 -0.048 0.000 1.248 262 A HN 1.516 nan 8.150 nan 0.000 0.424 263 T N -1.446 113.145 114.554 0.062 0.000 2.742 263 T HA 0.875 5.225 4.350 -0.000 0.000 0.282 263 T C -0.204 174.524 174.700 0.046 0.000 1.025 263 T CA -0.489 61.627 62.100 0.027 0.000 1.020 263 T CB 1.761 70.629 68.868 -0.000 0.000 1.317 263 T HN 1.410 nan 8.240 nan 0.000 0.538 264 S N -0.977 114.732 115.700 0.016 0.000 2.547 264 S HA 0.448 4.918 4.470 -0.000 0.000 0.281 264 S C -0.283 174.314 174.600 -0.005 0.000 1.118 264 S CA -0.622 57.588 58.200 0.017 0.000 0.947 264 S CB 1.576 64.783 63.200 0.012 0.000 1.053 264 S HN 0.682 nan 8.310 nan 0.000 0.482 265 D N 2.920 123.315 120.400 -0.007 0.000 2.120 265 D HA 0.150 4.790 4.640 -0.000 0.000 0.202 265 D C 1.491 177.783 176.300 -0.014 0.000 0.972 265 D CA 1.518 55.504 54.000 -0.023 0.000 0.837 265 D CB -0.545 40.238 40.800 -0.029 0.000 0.989 265 D HN 1.077 nan 8.370 nan 0.000 0.469 266 G N 0.225 109.023 108.800 -0.002 0.000 2.273 266 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.280 266 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.280 266 G C 0.633 175.530 174.900 -0.006 0.000 1.047 266 G CA 0.893 45.992 45.100 -0.002 0.000 0.869 266 G HN 0.622 nan 8.290 nan 0.000 0.502 267 A N -0.992 121.824 122.820 -0.006 0.000 1.857 267 A HA 0.681 5.001 4.320 -0.000 0.000 0.192 267 A C 0.381 177.961 177.584 -0.008 0.000 2.203 267 A CA 0.764 52.795 52.037 -0.009 0.000 1.377 267 A CB 0.584 19.575 19.000 -0.015 0.000 0.976 267 A HN 0.274 nan 8.150 nan 0.000 0.594 268 D N -0.305 120.089 120.400 -0.009 0.000 2.252 268 D HA 0.434 5.074 4.640 -0.000 0.000 0.245 268 D C 0.791 177.082 176.300 -0.016 0.000 1.009 268 D CA -0.565 53.425 54.000 -0.016 0.000 0.870 268 D CB 1.447 42.234 40.800 -0.021 0.000 1.251 268 D HN 0.072 nan 8.370 nan 0.000 0.460 269 M N 0.790 120.369 119.600 -0.035 0.000 2.175 269 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 269 M C 1.516 177.741 176.300 -0.126 0.000 1.063 269 M CA 1.319 56.593 55.300 -0.044 0.000 1.119 269 M CB -0.184 32.386 32.600 -0.050 0.000 1.377 269 M HN 0.387 nan 8.290 nan 0.000 0.415 270 V N -4.100 115.677 119.914 -0.229 0.000 3.398 270 V HA 0.634 4.754 4.120 -0.000 0.000 0.298 270 V C 0.361 176.318 176.094 -0.227 0.000 1.496 270 V CA -0.177 61.806 62.300 -0.528 0.000 1.044 270 V CB -0.532 30.833 31.823 -0.764 0.000 0.880 270 V HN 0.135 nan 8.190 nan 0.000 0.443 271 A N 1.864 124.646 122.820 -0.063 0.000 2.386 271 A HA 0.951 5.271 4.320 -0.000 0.000 0.311 271 A C -2.965 174.641 177.584 0.037 0.000 1.068 271 A CA -1.762 50.289 52.037 0.023 0.000 0.743 271 A CB 1.464 20.469 19.000 0.009 0.000 1.258 271 A HN 0.217 nan 8.150 nan 0.000 0.429 272 P HA 0.203 nan 4.420 nan 0.000 0.277 272 P C 0.507 177.786 177.300 -0.035 0.000 1.240 272 P CA -0.131 62.963 63.100 -0.010 0.000 0.798 272 P CB 1.591 33.270 31.700 -0.034 0.000 0.979 273 S N 0.092 115.750 115.700 -0.070 0.000 2.503 273 S HA 0.224 4.694 4.470 -0.000 0.000 0.215 273 S C 1.629 176.183 174.600 -0.076 0.000 1.003 273 S CA 0.698 58.864 58.200 -0.057 0.000 0.910 273 S CB -0.814 62.355 63.200 -0.052 0.000 0.790 273 S HN 0.741 nan 8.310 nan 0.000 0.514 274 G N 2.198 110.919 108.800 -0.132 0.000 2.458 274 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.237 274 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.237 274 G C 0.969 175.795 174.900 -0.123 0.000 1.113 274 G CA 0.663 45.681 45.100 -0.136 0.000 0.655 274 G HN 0.492 nan 8.290 nan 0.000 0.513 275 E N 1.839 121.985 120.200 -0.090 0.000 2.110 275 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 275 E C 2.618 179.166 176.600 -0.086 0.000 0.988 275 E CA 2.283 58.640 56.400 -0.072 0.000 0.804 275 E CB -1.018 28.651 29.700 -0.052 0.000 0.745 275 E HN 0.667 nan 8.360 nan 0.000 0.458 276 G N 0.539 109.274 108.800 -0.108 0.000 2.403 276 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 276 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 276 G C 1.724 176.541 174.900 -0.138 0.000 1.154 276 G CA 1.061 46.097 45.100 -0.106 0.000 0.784 276 G HN 0.418 nan 8.290 nan 0.000 0.538 277 A N 0.205 122.877 122.820 -0.246 0.000 1.969 277 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 277 A C 2.561 180.091 177.584 -0.090 0.000 1.169 277 A CA 1.561 53.435 52.037 -0.272 0.000 0.635 277 A CB -0.458 18.198 19.000 -0.575 0.000 0.810 277 A HN 0.221 nan 8.150 nan 0.000 0.445 278 V N 0.050 119.908 119.914 -0.093 0.000 2.295 278 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 278 V C 2.636 178.681 176.094 -0.081 0.000 1.049 278 V CA 2.297 64.552 62.300 -0.074 0.000 1.024 278 V CB -0.775 31.005 31.823 -0.072 0.000 0.648 278 V HN 0.533 nan 8.190 nan 0.000 0.447 279 R N -1.114 119.344 120.500 -0.070 0.000 2.092 279 R HA -0.165 4.175 4.340 -0.000 0.000 0.231 279 R C 2.401 178.667 176.300 -0.057 0.000 1.119 279 R CA 1.583 57.646 56.100 -0.062 0.000 0.970 279 R CB -0.838 29.436 30.300 -0.042 0.000 0.864 279 R HN 0.572 nan 8.270 nan 0.000 0.440 280 C N 0.799 120.079 119.300 -0.033 0.000 2.432 280 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 280 C C 2.588 177.571 174.990 -0.013 0.000 1.249 280 C CA 0.924 59.940 59.018 -0.003 0.000 1.725 280 C CB -0.649 27.134 27.740 0.072 0.000 2.028 280 C HN 0.458 nan 8.230 nan 0.000 0.477 281 M N 0.081 119.677 119.600 -0.007 0.000 2.175 281 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 281 M C 2.267 178.484 176.300 -0.139 0.000 1.063 281 M CA 1.728 57.009 55.300 -0.032 0.000 1.119 281 M CB -0.469 32.123 32.600 -0.013 0.000 1.377 281 M HN 0.375 nan 8.290 nan 0.000 0.415 282 K N 0.153 120.438 120.400 -0.191 0.000 2.057 282 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 282 K C 2.008 178.359 176.600 -0.415 0.000 1.049 282 K CA 1.403 57.504 56.287 -0.310 0.000 0.931 282 K CB -0.229 32.107 32.500 -0.273 0.000 0.714 282 K HN 0.343 nan 8.250 nan 0.000 0.440 283 M N 0.537 120.002 119.600 -0.225 0.000 2.117 283 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 283 M C 2.074 178.349 176.300 -0.042 0.000 1.065 283 M CA 1.700 56.957 55.300 -0.071 0.000 1.114 283 M CB -0.079 32.521 32.600 0.001 0.000 1.361 283 M HN 0.164 nan 8.290 nan 0.000 0.408 284 A N 0.056 122.840 122.820 -0.059 0.000 2.067 284 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 284 A C 1.841 179.419 177.584 -0.009 0.000 1.158 284 A CA 1.170 53.206 52.037 -0.001 0.000 0.661 284 A CB -0.438 18.576 19.000 0.023 0.000 0.801 284 A HN 0.565 nan 8.150 nan 0.000 0.452 285 M N -0.032 119.510 119.600 -0.096 0.000 2.556 285 M HA 0.095 4.575 4.480 -0.000 0.000 0.245 285 M C -0.106 176.152 176.300 -0.071 0.000 1.128 285 M CA 0.124 55.369 55.300 -0.093 0.000 1.069 285 M CB -0.961 31.539 32.600 -0.167 0.000 1.469 285 M HN 0.306 nan 8.290 nan 0.000 0.494 286 H N 1.091 120.149 119.070 -0.021 0.000 3.107 286 H HA 0.163 4.719 4.556 -0.000 0.000 0.301 286 H C 1.409 176.734 175.328 -0.005 0.000 0.981 286 H CA 1.418 57.455 56.048 -0.018 0.000 1.443 286 H CB 0.022 29.772 29.762 -0.020 0.000 1.479 286 H HN 0.597 nan 8.280 nan 0.000 0.564 287 G N 3.052 111.934 108.800 0.136 0.000 2.184 287 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 287 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 287 G C 0.164 175.096 174.900 0.053 0.000 0.975 287 G CA 0.301 45.447 45.100 0.076 0.000 0.642 287 G HN 0.548 nan 8.290 nan 0.000 0.536 288 V N 1.731 121.673 119.914 0.047 0.000 2.288 288 V HA 0.325 4.445 4.120 -0.000 0.000 0.266 288 V C 0.305 176.419 176.094 0.033 0.000 1.048 288 V CA -0.220 62.103 62.300 0.038 0.000 0.842 288 V CB 1.360 33.206 31.823 0.038 0.000 1.064 288 V HN 0.250 nan 8.190 nan 0.000 0.472 289 D N 2.489 122.908 120.400 0.032 0.000 2.342 289 D HA 0.070 4.710 4.640 -0.000 0.000 0.221 289 D C 1.039 177.359 176.300 0.033 0.000 1.101 289 D CA 0.219 54.237 54.000 0.030 0.000 0.837 289 D CB 0.759 41.574 40.800 0.025 0.000 0.938 289 D HN 0.657 nan 8.370 nan 0.000 0.508 290 T N -0.415 114.162 114.554 0.038 0.000 2.907 290 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 290 T C -2.421 172.312 174.700 0.055 0.000 1.004 290 T CA -1.723 60.401 62.100 0.039 0.000 1.063 290 T CB 2.282 71.170 68.868 0.033 0.000 0.992 290 T HN -0.175 nan 8.240 nan 0.000 0.483 291 P HA 0.276 nan 4.420 nan 0.000 0.274 291 P C -0.489 176.850 177.300 0.064 0.000 1.231 291 P CA -0.669 62.474 63.100 0.070 0.000 0.790 291 P CB 0.575 32.303 31.700 0.047 0.000 0.951 292 I N 3.452 124.072 120.570 0.083 0.000 2.363 292 I HA 0.005 4.175 4.170 -0.000 0.000 0.292 292 I C 1.348 177.436 176.117 -0.048 0.000 1.075 292 I CA 0.368 61.684 61.300 0.026 0.000 1.333 292 I CB -0.086 37.926 38.000 0.019 0.000 1.415 292 I HN 0.324 nan 8.210 nan 0.000 0.502 293 D N 5.426 125.824 120.400 -0.002 0.000 2.234 293 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 293 D C 0.065 176.403 176.300 0.063 0.000 0.962 293 D CA 1.318 55.327 54.000 0.014 0.000 0.855 293 D CB 0.384 41.203 40.800 0.032 0.000 0.951 293 D HN 0.501 nan 8.370 nan 0.000 0.500 294 Y N 0.284 120.526 120.300 -0.097 0.000 2.442 294 Y HA 0.418 4.968 4.550 -0.000 0.000 0.330 294 Y C -2.046 173.796 175.900 -0.097 0.000 1.100 294 Y CA -1.063 56.974 58.100 -0.105 0.000 1.034 294 Y CB 1.195 39.595 38.460 -0.100 0.000 1.285 294 Y HN -0.239 nan 8.280 nan 0.000 0.440 295 L N 7.361 128.027 121.223 -0.929 0.000 2.319 295 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 295 L C -0.959 175.312 176.870 -0.999 0.000 1.005 295 L CA -0.506 53.882 54.840 -0.753 0.000 0.828 295 L CB 0.776 42.594 42.059 -0.401 0.000 1.227 295 L HN 0.792 nan 8.230 nan 0.000 0.415 296 N N 3.775 122.010 118.700 -0.775 0.000 2.469 296 N HA 0.101 4.841 4.740 -0.000 0.000 0.239 296 N C -0.316 175.084 175.510 -0.184 0.000 1.053 296 N CA -0.213 52.612 53.050 -0.375 0.000 0.937 296 N CB 0.969 39.407 38.487 -0.081 0.000 1.163 296 N HN 0.714 nan 8.380 nan 0.000 0.509 297 S N 2.634 118.271 115.700 -0.105 0.000 2.600 297 S HA -0.011 4.459 4.470 -0.000 0.000 0.265 297 S C 1.275 175.834 174.600 -0.069 0.000 1.325 297 S CA -0.192 57.989 58.200 -0.031 0.000 1.002 297 S CB 1.095 64.364 63.200 0.115 0.000 0.921 297 S HN 0.742 nan 8.310 nan 0.000 0.554 298 H N 1.792 120.744 119.070 -0.195 0.000 2.428 298 H HA 0.181 4.737 4.556 -0.000 0.000 0.296 298 H C 1.517 176.726 175.328 -0.200 0.000 1.062 298 H CA 0.944 56.819 56.048 -0.288 0.000 1.350 298 H CB -1.045 28.456 29.762 -0.435 0.000 1.403 298 H HN 0.988 nan 8.280 nan 0.000 0.533 299 G N 1.111 109.827 108.800 -0.140 0.000 2.741 299 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.341 299 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.341 299 G C 1.026 175.688 174.900 -0.396 0.000 0.174 299 G CA 1.018 45.969 45.100 -0.248 0.000 1.200 299 G HN 0.730 nan 8.290 nan 0.000 0.461 300 T N -0.936 113.389 114.554 -0.381 0.000 3.107 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.249 300 T C 1.302 175.954 174.700 -0.081 0.000 1.096 300 T CA 0.935 62.833 62.100 -0.337 0.000 1.012 300 T CB 0.255 68.924 68.868 -0.333 0.000 0.977 300 T HN 1.744 nan 8.240 nan 0.000 0.527 301 S N 0.810 116.439 115.700 -0.118 0.000 3.807 301 S HA -0.129 4.341 4.470 -0.000 0.000 0.304 301 S C 0.175 174.801 174.600 0.043 0.000 1.152 301 S CA 0.577 58.734 58.200 -0.071 0.000 0.852 301 S CB -2.139 61.029 63.200 -0.053 0.000 0.924 301 S HN 1.257 nan 8.310 nan 0.000 0.545 302 T N -1.104 113.500 114.554 0.083 0.000 2.888 302 T HA 0.695 5.045 4.350 -0.000 0.000 0.284 302 T C -1.520 173.244 174.700 0.106 0.000 1.017 302 T CA -1.686 60.497 62.100 0.138 0.000 1.022 302 T CB 1.761 70.768 68.868 0.233 0.000 1.013 302 T HN -0.066 nan 8.240 nan 0.000 0.465 303 P HA -0.149 nan 4.420 nan 0.000 0.213 303 P C 1.705 179.060 177.300 0.091 0.000 1.176 303 P CA 0.751 63.901 63.100 0.082 0.000 0.919 303 P CB -0.044 31.699 31.700 0.072 0.000 0.791 304 V N -0.457 119.517 119.914 0.100 0.000 2.283 304 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 304 V C 2.584 178.752 176.094 0.123 0.000 1.039 304 V CA 2.484 64.843 62.300 0.098 0.000 1.016 304 V CB -1.915 29.960 31.823 0.088 0.000 0.650 304 V HN 0.192 nan 8.190 nan 0.000 0.449 305 G N -0.091 108.805 108.800 0.160 0.000 2.491 305 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 305 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 305 G C 1.185 176.207 174.900 0.204 0.000 1.180 305 G CA 1.318 46.540 45.100 0.203 0.000 0.774 305 G HN 0.505 nan 8.290 nan 0.000 0.562 306 D N 0.137 120.636 120.400 0.164 0.000 2.126 306 D HA -0.161 4.479 4.640 -0.000 0.000 0.190 306 D C 2.895 179.365 176.300 0.283 0.000 1.001 306 D CA 2.081 56.192 54.000 0.186 0.000 0.841 306 D CB -0.677 40.177 40.800 0.090 0.000 0.949 306 D HN 0.370 nan 8.370 nan 0.000 0.446 307 V N -1.137 118.899 119.914 0.204 0.000 2.591 307 V HA -0.057 4.063 4.120 -0.000 0.000 0.249 307 V C 2.159 178.327 176.094 0.123 0.000 1.053 307 V CA 1.204 63.599 62.300 0.159 0.000 1.068 307 V CB -0.562 31.326 31.823 0.110 0.000 0.689 307 V HN -0.062 nan 8.190 nan 0.000 0.462 308 K N 1.567 122.038 120.400 0.117 0.000 2.032 308 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 308 K C 2.266 178.916 176.600 0.083 0.000 1.048 308 K CA 2.268 58.601 56.287 0.078 0.000 0.927 308 K CB -0.546 31.992 32.500 0.064 0.000 0.712 308 K HN 0.718 nan 8.250 nan 0.000 0.441 309 E N -0.080 120.214 120.200 0.157 0.000 2.106 309 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 309 E C 1.911 178.617 176.600 0.177 0.000 0.984 309 E CA 0.998 57.526 56.400 0.214 0.000 0.806 309 E CB -0.084 29.862 29.700 0.410 0.000 0.750 309 E HN 0.334 nan 8.360 nan 0.000 0.458 310 L N 0.367 121.686 121.223 0.159 0.000 2.131 310 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 310 L C 2.632 179.540 176.870 0.063 0.000 1.092 310 L CA 0.920 55.810 54.840 0.084 0.000 0.759 310 L CB -0.430 41.647 42.059 0.028 0.000 0.903 310 L HN 0.246 nan 8.230 nan 0.000 0.435 311 A N 0.021 122.878 122.820 0.061 0.000 1.898 311 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 311 A C 2.540 180.148 177.584 0.039 0.000 1.181 311 A CA 1.523 53.584 52.037 0.040 0.000 0.620 311 A CB -0.598 18.419 19.000 0.029 0.000 0.819 311 A HN 0.376 nan 8.150 nan 0.000 0.442 312 A N 0.060 122.904 122.820 0.040 0.000 1.902 312 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 312 A C 2.105 179.731 177.584 0.069 0.000 1.181 312 A CA 1.511 53.564 52.037 0.026 0.000 0.623 312 A CB -0.640 18.358 19.000 -0.003 0.000 0.818 312 A HN 0.500 nan 8.150 nan 0.000 0.443 313 I N -0.875 119.773 120.570 0.130 0.000 2.208 313 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 313 I C 2.794 179.051 176.117 0.234 0.000 1.097 313 I CA 1.511 62.951 61.300 0.232 0.000 1.363 313 I CB -0.384 37.728 38.000 0.187 0.000 1.051 313 I HN 0.311 nan 8.210 nan 0.000 0.413 314 R N 0.370 120.945 120.500 0.124 0.000 2.083 314 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 314 R C 2.287 178.630 176.300 0.071 0.000 1.137 314 R CA 1.680 57.836 56.100 0.093 0.000 0.951 314 R CB -0.359 29.969 30.300 0.046 0.000 0.851 314 R HN 0.224 nan 8.270 nan 0.000 0.434 315 E N 0.488 120.709 120.200 0.034 0.000 2.118 315 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 315 E C 1.803 178.372 176.600 -0.050 0.000 0.992 315 E CA 1.154 57.550 56.400 -0.007 0.000 0.804 315 E CB -0.002 29.686 29.700 -0.020 0.000 0.741 315 E HN 0.076 nan 8.360 nan 0.000 0.458 316 V N -0.491 119.372 119.914 -0.085 0.000 2.346 316 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 316 V C 1.750 177.611 176.094 -0.389 0.000 1.037 316 V CA 1.746 63.871 62.300 -0.291 0.000 1.029 316 V CB -0.424 31.124 31.823 -0.458 0.000 0.663 316 V HN 0.239 nan 8.190 nan 0.000 0.454 317 F N -0.303 119.633 119.950 -0.023 0.000 2.582 317 F HA 0.491 5.018 4.527 -0.000 0.000 0.290 317 F C 1.837 177.626 175.800 -0.018 0.000 1.115 317 F CA 0.694 58.681 58.000 -0.022 0.000 1.445 317 F CB -0.480 38.507 39.000 -0.022 0.000 1.126 317 F HN 0.278 nan 8.300 nan 0.000 0.574 318 G N 0.935 109.822 108.800 0.146 0.000 2.583 318 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.292 318 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.292 318 G C 0.307 175.254 174.900 0.079 0.000 1.203 318 G CA 0.531 45.680 45.100 0.080 0.000 0.987 318 G HN 0.224 nan 8.290 nan 0.000 0.554 319 D N 1.175 121.607 120.400 0.054 0.000 2.332 319 D HA 0.102 4.742 4.640 -0.000 0.000 0.244 319 D C 1.477 177.804 176.300 0.045 0.000 1.136 319 D CA 0.652 54.674 54.000 0.038 0.000 0.884 319 D CB 0.211 41.026 40.800 0.025 0.000 0.906 319 D HN 0.391 nan 8.370 nan 0.000 0.520 320 K N 0.799 121.249 120.400 0.083 0.000 2.699 320 K HA 0.051 4.371 4.320 -0.000 0.000 0.210 320 K C -0.096 176.530 176.600 0.045 0.000 1.076 320 K CA -0.183 56.156 56.287 0.088 0.000 1.109 320 K CB 0.248 32.840 32.500 0.153 0.000 0.862 320 K HN -0.145 nan 8.250 nan 0.000 0.470 321 S N 3.052 118.749 115.700 -0.004 0.000 2.546 321 S HA 0.099 4.569 4.470 -0.000 0.000 0.290 321 S C -1.918 172.549 174.600 -0.220 0.000 1.262 321 S CA -0.886 57.241 58.200 -0.120 0.000 1.083 321 S CB 0.335 63.493 63.200 -0.070 0.000 0.859 321 S HN 0.312 nan 8.310 nan 0.000 0.495 322 P HA 0.369 nan 4.420 nan 0.000 0.278 322 P C -0.882 176.294 177.300 -0.207 0.000 1.266 322 P CA -0.733 62.164 63.100 -0.339 0.000 0.807 322 P CB 0.645 32.012 31.700 -0.554 0.000 1.094 323 A N 1.229 123.990 122.820 -0.099 0.000 2.511 323 A HA 0.401 4.721 4.320 -0.000 0.000 0.242 323 A C 0.298 177.878 177.584 -0.007 0.000 1.069 323 A CA 0.058 52.094 52.037 -0.002 0.000 0.763 323 A CB -0.800 18.256 19.000 0.094 0.000 1.001 323 A HN 0.457 nan 8.150 nan 0.000 0.498 324 I N 1.765 122.335 120.570 -0.000 0.000 2.582 324 I HA 0.520 4.690 4.170 -0.000 0.000 0.292 324 I C -0.002 176.184 176.117 0.115 0.000 1.066 324 I CA -0.291 60.992 61.300 -0.029 0.000 1.053 324 I CB 2.505 40.439 38.000 -0.110 0.000 1.241 324 I HN 0.750 nan 8.210 nan 0.000 0.421 325 S N 3.890 119.710 115.700 0.199 0.000 2.536 325 S HA 0.824 5.294 4.470 -0.000 0.000 0.271 325 S C -1.003 173.722 174.600 0.208 0.000 1.134 325 S CA -0.754 57.595 58.200 0.248 0.000 0.897 325 S CB 2.043 65.408 63.200 0.275 0.000 1.094 325 S HN 0.779 nan 8.310 nan 0.000 0.473 326 A N 2.514 125.442 122.820 0.180 0.000 2.412 326 A HA 0.576 4.896 4.320 -0.000 0.000 0.334 326 A C 1.216 178.797 177.584 -0.005 0.000 1.419 326 A CA -0.199 51.867 52.037 0.049 0.000 0.930 326 A CB -0.284 18.659 19.000 -0.095 0.000 1.149 326 A HN 1.361 nan 8.150 nan 0.000 0.515 327 T N -0.024 114.534 114.554 0.008 0.000 2.977 327 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 327 T C 1.383 176.032 174.700 -0.084 0.000 1.105 327 T CA 1.371 63.443 62.100 -0.047 0.000 1.116 327 T CB -0.306 68.530 68.868 -0.054 0.000 0.878 327 T HN 0.622 nan 8.240 nan 0.000 0.509 328 K N 1.137 121.478 120.400 -0.098 0.000 2.280 328 K HA 0.152 4.472 4.320 -0.000 0.000 0.202 328 K C 2.628 179.171 176.600 -0.095 0.000 1.047 328 K CA 0.881 57.097 56.287 -0.119 0.000 0.942 328 K CB -0.370 31.995 32.500 -0.224 0.000 0.739 328 K HN 0.499 nan 8.250 nan 0.000 0.457 329 A N 0.900 123.660 122.820 -0.100 0.000 2.019 329 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 329 A C 1.982 179.530 177.584 -0.060 0.000 1.164 329 A CA 1.388 53.375 52.037 -0.083 0.000 0.644 329 A CB -0.248 18.706 19.000 -0.076 0.000 0.805 329 A HN 0.202 nan 8.150 nan 0.000 0.449 330 M N -1.501 118.058 119.600 -0.069 0.000 2.557 330 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 330 M C 2.354 178.619 176.300 -0.058 0.000 1.168 330 M CA 1.629 56.889 55.300 -0.068 0.000 1.194 330 M CB -0.048 32.490 32.600 -0.103 0.000 1.311 330 M HN 0.583 nan 8.290 nan 0.000 0.489 331 T N -2.126 112.386 114.554 -0.070 0.000 3.054 331 T HA 0.407 4.757 4.350 -0.000 0.000 0.259 331 T C 1.051 175.755 174.700 0.007 0.000 1.092 331 T CA 0.538 62.617 62.100 -0.034 0.000 1.121 331 T CB -0.065 68.796 68.868 -0.013 0.000 0.912 331 T HN 0.554 nan 8.240 nan 0.000 0.489 332 G N 0.932 109.736 108.800 0.007 0.000 2.757 332 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.638 332 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.638 332 G C -0.969 173.958 174.900 0.045 0.000 1.344 332 G CA -0.387 44.747 45.100 0.056 0.000 0.855 332 G HN 0.773 nan 8.290 nan 0.000 0.537 333 H N 0.838 119.876 119.070 -0.053 0.000 2.641 333 H HA 0.594 5.150 4.556 -0.000 0.000 0.295 333 H C 1.615 176.835 175.328 -0.180 0.000 1.070 333 H CA -0.000 55.917 56.048 -0.218 0.000 1.257 333 H CB 0.716 30.150 29.762 -0.547 0.000 1.393 333 H HN 0.821 nan 8.280 nan 0.000 0.464 334 S N 4.805 120.592 115.700 0.144 0.000 2.710 334 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 334 S C 1.318 175.901 174.600 -0.027 0.000 0.948 334 S CA -0.019 58.194 58.200 0.022 0.000 0.949 334 S CB -0.523 62.679 63.200 0.003 0.000 0.778 334 S HN 0.714 nan 8.310 nan 0.000 0.498 335 L N -0.109 121.049 121.223 -0.108 0.000 5.154 335 L HA -0.344 3.996 4.340 -0.000 0.000 0.053 335 L C 2.229 179.080 176.870 -0.033 0.000 3.137 335 L CA 1.418 56.097 54.840 -0.268 0.000 1.466 335 L CB -2.092 39.778 42.059 -0.315 0.000 2.980 335 L HN 0.424 nan 8.230 nan 0.000 0.938 336 G N -1.059 107.726 108.800 -0.026 0.000 2.479 336 G HA2 0.040 3.999 3.960 -0.000 0.000 0.220 336 G HA3 0.040 3.999 3.960 -0.000 0.000 0.220 336 G C 1.272 176.179 174.900 0.013 0.000 1.115 336 G CA 1.334 46.443 45.100 0.015 0.000 0.757 336 G HN 0.863 nan 8.290 nan 0.000 0.560 337 A N 0.330 123.154 122.820 0.006 0.000 2.195 337 A HA 0.639 4.959 4.320 -0.000 0.000 0.210 337 A C 2.574 180.130 177.584 -0.047 0.000 1.165 337 A CA 1.278 53.308 52.037 -0.012 0.000 0.806 337 A CB -0.220 18.780 19.000 -0.000 0.000 0.847 337 A HN 0.530 nan 8.150 nan 0.000 0.482 338 A N 0.169 122.975 122.820 -0.023 0.000 1.908 338 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 338 A C 2.342 179.861 177.584 -0.109 0.000 1.181 338 A CA 1.942 53.947 52.037 -0.053 0.000 0.627 338 A CB -1.319 17.669 19.000 -0.021 0.000 0.818 338 A HN 0.678 nan 8.150 nan 0.000 0.445 339 G N -0.782 107.965 108.800 -0.089 0.000 2.514 339 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 339 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 339 G C 1.667 176.476 174.900 -0.153 0.000 1.198 339 G CA 1.437 46.465 45.100 -0.119 0.000 0.780 339 G HN 0.629 nan 8.290 nan 0.000 0.565 340 V N 0.185 120.011 119.914 -0.147 0.000 2.453 340 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 340 V C 2.758 178.690 176.094 -0.270 0.000 1.048 340 V CA 2.441 64.636 62.300 -0.175 0.000 1.049 340 V CB -0.255 31.488 31.823 -0.132 0.000 0.672 340 V HN 0.520 nan 8.190 nan 0.000 0.457 341 Q N -0.467 119.142 119.800 -0.319 0.000 2.124 341 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 341 Q C 2.122 177.496 176.000 -1.043 0.000 0.977 341 Q CA 2.088 57.538 55.803 -0.588 0.000 0.850 341 Q CB -0.109 28.367 28.738 -0.438 0.000 0.901 341 Q HN 0.706 nan 8.270 nan 0.000 0.429 342 E N 0.094 119.942 120.200 -0.588 0.000 2.285 342 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 342 E C 1.739 178.208 176.600 -0.220 0.000 0.997 342 E CA 0.597 56.782 56.400 -0.358 0.000 0.845 342 E CB 0.090 29.725 29.700 -0.108 0.000 0.782 342 E HN 0.322 nan 8.360 nan 0.000 0.491 343 A N 0.708 123.385 122.820 -0.238 0.000 1.929 343 A HA -0.087 4.232 4.320 -0.000 0.000 0.216 343 A C 2.065 179.544 177.584 -0.174 0.000 1.176 343 A CA 0.677 52.617 52.037 -0.161 0.000 0.628 343 A CB -0.290 18.615 19.000 -0.159 0.000 0.816 343 A HN 0.137 nan 8.150 nan 0.000 0.444 344 I N -1.299 119.106 120.570 -0.275 0.000 2.252 344 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 344 I C 2.262 178.328 176.117 -0.084 0.000 1.102 344 I CA 1.203 62.359 61.300 -0.240 0.000 1.385 344 I CB -0.429 37.399 38.000 -0.287 0.000 1.064 344 I HN 0.375 nan 8.210 nan 0.000 0.414 345 Y N 0.798 121.072 120.300 -0.042 0.000 2.181 345 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 345 Y C 2.943 178.824 175.900 -0.033 0.000 1.146 345 Y CA 0.836 58.927 58.100 -0.016 0.000 1.164 345 Y CB -1.400 37.059 38.460 -0.003 0.000 0.982 345 Y HN 0.097 nan 8.280 nan 0.000 0.515 346 S N 0.080 115.861 115.700 0.135 0.000 2.368 346 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 346 S C 2.151 176.764 174.600 0.023 0.000 1.030 346 S CA 1.115 59.380 58.200 0.108 0.000 0.999 346 S CB -0.605 62.655 63.200 0.101 0.000 0.844 346 S HN 0.356 nan 8.310 nan 0.000 0.459 347 L N 0.923 122.135 121.223 -0.019 0.000 2.141 347 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 347 L C 2.182 179.061 176.870 0.014 0.000 1.094 347 L CA 0.870 55.684 54.840 -0.042 0.000 0.763 347 L CB -0.510 41.440 42.059 -0.182 0.000 0.908 347 L HN 0.288 nan 8.230 nan 0.000 0.437 348 L N -1.054 120.203 121.223 0.057 0.000 2.056 348 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 348 L C 2.645 179.646 176.870 0.218 0.000 1.078 348 L CA 1.256 56.238 54.840 0.236 0.000 0.749 348 L CB -0.307 41.932 42.059 0.301 0.000 0.901 348 L HN 0.296 nan 8.230 nan 0.000 0.433 349 M N -0.865 118.661 119.600 -0.122 0.000 2.117 349 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 349 M C 2.284 178.439 176.300 -0.242 0.000 1.065 349 M CA 1.553 56.492 55.300 -0.602 0.000 1.114 349 M CB -0.311 31.789 32.600 -0.833 0.000 1.361 349 M HN 0.215 nan 8.290 nan 0.000 0.408 350 L N 0.586 121.750 121.223 -0.098 0.000 2.056 350 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 350 L C 2.237 179.107 176.870 -0.001 0.000 1.078 350 L CA 2.009 56.831 54.840 -0.030 0.000 0.749 350 L CB -0.612 41.452 42.059 0.008 0.000 0.901 350 L HN 0.205 nan 8.230 nan 0.000 0.433 351 E N -1.201 119.005 120.200 0.010 0.000 2.106 351 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 351 E C 1.710 178.162 176.600 -0.247 0.000 0.984 351 E CA 1.525 57.870 56.400 -0.092 0.000 0.806 351 E CB -0.103 29.553 29.700 -0.073 0.000 0.750 351 E HN 0.636 nan 8.360 nan 0.000 0.458 352 H N -1.287 117.901 119.070 0.197 0.000 2.549 352 H HA 0.296 4.852 4.556 -0.000 0.000 0.279 352 H C 0.555 176.030 175.328 0.245 0.000 1.018 352 H CA 0.526 56.712 56.048 0.231 0.000 1.175 352 H CB 0.579 30.523 29.762 0.304 0.000 1.485 352 H HN 0.263 nan 8.280 nan 0.000 0.543 353 G N 1.989 110.919 108.800 0.217 0.000 2.351 353 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.297 353 G C -0.247 174.790 174.900 0.228 0.000 1.054 353 G CA 0.689 45.878 45.100 0.148 0.000 1.123 353 G HN 0.523 nan 8.290 nan 0.000 0.512 354 F N -1.701 118.233 119.950 -0.027 0.000 2.719 354 F HA 0.790 5.317 4.527 -0.000 0.000 0.309 354 F C -0.960 174.740 175.800 -0.166 0.000 1.138 354 F CA -2.199 55.760 58.000 -0.069 0.000 0.943 354 F CB 1.133 40.107 39.000 -0.043 0.000 1.304 354 F HN 0.068 nan 8.300 nan 0.000 0.445 355 I N 3.009 123.428 120.570 -0.253 0.000 2.355 355 I HA 0.599 4.769 4.170 -0.000 0.000 0.288 355 I C 0.151 176.153 176.117 -0.192 0.000 0.999 355 I CA -1.071 59.929 61.300 -0.501 0.000 1.163 355 I CB 1.626 39.426 38.000 -0.333 0.000 1.316 355 I HN 0.965 nan 8.210 nan 0.000 0.454 356 A N 9.457 132.100 122.820 -0.295 0.000 2.477 356 A HA 0.426 4.746 4.320 -0.000 0.000 0.246 356 A C -2.282 175.304 177.584 0.003 0.000 1.078 356 A CA -0.965 51.084 52.037 0.020 0.000 0.770 356 A CB -0.400 18.596 19.000 -0.007 0.000 1.011 356 A HN 0.430 nan 8.150 nan 0.000 0.494 357 P HA 0.102 nan 4.420 nan 0.000 0.274 357 P C -0.313 177.013 177.300 0.043 0.000 1.231 357 P CA -0.160 62.962 63.100 0.038 0.000 0.790 357 P CB 1.101 32.819 31.700 0.029 0.000 0.951 358 S N 2.555 118.296 115.700 0.068 0.000 2.415 358 S HA 0.375 4.845 4.470 -0.000 0.000 0.313 358 S C 0.592 175.226 174.600 0.057 0.000 1.067 358 S CA -0.833 57.417 58.200 0.085 0.000 1.099 358 S CB -1.282 62.019 63.200 0.168 0.000 0.991 358 S HN 0.341 nan 8.310 nan 0.000 0.491 359 I N 1.865 122.448 120.570 0.020 0.000 3.110 359 I HA 0.500 4.670 4.170 -0.000 0.000 0.314 359 I C 0.345 176.460 176.117 -0.003 0.000 1.020 359 I CA -0.613 60.691 61.300 0.007 0.000 1.169 359 I CB 0.332 38.327 38.000 -0.010 0.000 1.437 359 I HN 0.501 nan 8.210 nan 0.000 0.595 360 N N 0.970 119.666 118.700 -0.008 0.000 2.741 360 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 360 N C -0.564 174.945 175.510 -0.002 0.000 1.112 360 N CA 0.958 53.995 53.050 -0.022 0.000 0.750 360 N CB -1.523 36.924 38.487 -0.066 0.000 1.119 360 N HN 0.610 nan 8.380 nan 0.000 0.561 361 I N 1.252 121.840 120.570 0.030 0.000 2.256 361 I HA 0.051 4.221 4.170 -0.000 0.000 0.294 361 I C 1.367 177.518 176.117 0.056 0.000 1.127 361 I CA -0.092 61.243 61.300 0.059 0.000 1.247 361 I CB 0.334 38.387 38.000 0.089 0.000 1.460 361 I HN 0.026 nan 8.210 nan 0.000 0.511 362 E N 3.704 123.941 120.200 0.062 0.000 2.230 362 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 362 E C 0.463 177.113 176.600 0.083 0.000 0.987 362 E CA 0.550 56.989 56.400 0.065 0.000 0.841 362 E CB 0.482 30.221 29.700 0.064 0.000 0.783 362 E HN 0.525 nan 8.360 nan 0.000 0.481 363 E N 1.105 121.370 120.200 0.108 0.000 2.317 363 E HA 0.153 4.503 4.350 -0.000 0.000 0.270 363 E C -1.575 175.077 176.600 0.086 0.000 0.899 363 E CA -0.592 55.871 56.400 0.105 0.000 0.814 363 E CB 1.191 30.987 29.700 0.160 0.000 1.296 363 E HN -0.074 nan 8.360 nan 0.000 0.404 364 L N 4.327 125.589 121.223 0.066 0.000 2.462 364 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 364 L C 0.163 177.061 176.870 0.047 0.000 1.166 364 L CA 0.420 55.297 54.840 0.062 0.000 0.880 364 L CB 0.684 42.766 42.059 0.038 0.000 1.142 364 L HN 0.555 nan 8.230 nan 0.000 0.473 365 D N 3.694 124.131 120.400 0.061 0.000 2.488 365 D HA -0.094 4.546 4.640 -0.000 0.000 0.238 365 D C 0.987 177.303 176.300 0.026 0.000 1.138 365 D CA 0.413 54.438 54.000 0.042 0.000 0.873 365 D CB 0.927 41.773 40.800 0.077 0.000 1.183 365 D HN 0.801 nan 8.370 nan 0.000 0.458 366 E N 2.413 122.622 120.200 0.015 0.000 2.265 366 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 366 E C 1.159 177.764 176.600 0.008 0.000 0.996 366 E CA 0.836 57.242 56.400 0.010 0.000 0.832 366 E CB -0.124 29.581 29.700 0.009 0.000 0.756 366 E HN 0.572 nan 8.360 nan 0.000 0.491 367 Q N -0.057 119.752 119.800 0.016 0.000 2.472 367 Q HA 0.077 4.417 4.340 -0.000 0.000 0.208 367 Q C 1.309 177.308 176.000 -0.001 0.000 0.958 367 Q CA 0.738 56.550 55.803 0.014 0.000 0.932 367 Q CB 0.280 29.036 28.738 0.030 0.000 1.007 367 Q HN 0.419 nan 8.270 nan 0.000 0.508 368 A N 0.109 122.920 122.820 -0.015 0.000 2.423 368 A HA 0.440 4.760 4.320 -0.000 0.000 0.246 368 A C 0.612 178.158 177.584 -0.062 0.000 1.278 368 A CA -0.106 51.889 52.037 -0.070 0.000 0.903 368 A CB 0.203 19.130 19.000 -0.121 0.000 0.997 368 A HN 0.220 nan 8.150 nan 0.000 0.510 369 A N -0.519 122.283 122.820 -0.031 0.000 2.488 369 A HA 0.469 4.789 4.320 -0.000 0.000 0.249 369 A C 1.488 179.056 177.584 -0.027 0.000 1.083 369 A CA 0.590 52.613 52.037 -0.023 0.000 0.768 369 A CB -0.539 18.456 19.000 -0.009 0.000 1.017 369 A HN 1.912 nan 8.150 nan 0.000 0.496 370 G N 1.043 109.826 108.800 -0.028 0.000 2.141 370 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.242 370 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.242 370 G C -0.121 174.756 174.900 -0.038 0.000 0.982 370 G CA 0.353 45.438 45.100 -0.026 0.000 0.662 370 G HN 0.785 nan 8.290 nan 0.000 0.527 371 L N -0.232 120.956 121.223 -0.059 0.000 2.330 371 L HA 0.446 4.786 4.340 -0.000 0.000 0.271 371 L C 0.797 177.620 176.870 -0.079 0.000 1.013 371 L CA -0.853 53.938 54.840 -0.081 0.000 0.816 371 L CB 1.747 43.730 42.059 -0.126 0.000 1.287 371 L HN 0.203 nan 8.230 nan 0.000 0.435 372 N N 2.505 121.158 118.700 -0.079 0.000 3.298 372 N HA 0.247 4.987 4.740 -0.000 0.000 0.292 372 N C -0.657 174.819 175.510 -0.057 0.000 1.271 372 N CA -0.350 52.665 53.050 -0.058 0.000 1.184 372 N CB 0.151 38.609 38.487 -0.048 0.000 1.452 372 N HN 0.462 nan 8.380 nan 0.000 0.534 373 I N 2.540 123.067 120.570 -0.072 0.000 2.347 373 I HA 0.046 4.216 4.170 -0.000 0.000 0.294 373 I C 0.188 176.306 176.117 0.003 0.000 1.090 373 I CA -0.510 60.754 61.300 -0.060 0.000 1.314 373 I CB 1.085 39.004 38.000 -0.136 0.000 1.423 373 I HN 0.025 nan 8.210 nan 0.000 0.503 374 V N 6.219 126.157 119.914 0.039 0.000 2.479 374 V HA 0.012 4.131 4.120 -0.000 0.000 0.281 374 V C 1.318 177.443 176.094 0.053 0.000 1.031 374 V CA 0.294 62.620 62.300 0.044 0.000 1.038 374 V CB 0.892 32.745 31.823 0.050 0.000 0.981 374 V HN 0.906 nan 8.190 nan 0.000 0.478 375 T N 0.481 115.058 114.554 0.039 0.000 3.044 375 T HA 0.292 4.642 4.350 -0.000 0.000 0.260 375 T C 0.222 174.940 174.700 0.029 0.000 1.019 375 T CA -0.267 61.857 62.100 0.040 0.000 0.921 375 T CB 0.238 69.128 68.868 0.038 0.000 1.053 375 T HN 0.579 nan 8.240 nan 0.000 0.533 376 E N 1.532 121.748 120.200 0.026 0.000 2.292 376 E HA 0.330 4.680 4.350 -0.000 0.000 0.272 376 E C -0.903 175.714 176.600 0.028 0.000 0.881 376 E CA -0.648 55.765 56.400 0.021 0.000 0.754 376 E CB 1.645 31.354 29.700 0.015 0.000 1.201 376 E HN 0.067 nan 8.360 nan 0.000 0.425 377 T N 2.408 116.981 114.554 0.031 0.000 2.849 377 T HA 0.130 4.480 4.350 -0.000 0.000 0.289 377 T C -0.113 174.621 174.700 0.056 0.000 1.010 377 T CA 0.744 62.881 62.100 0.061 0.000 1.161 377 T CB 0.015 68.902 68.868 0.032 0.000 0.989 377 T HN 0.273 nan 8.240 nan 0.000 0.523 378 T N 4.201 118.803 114.554 0.080 0.000 2.879 378 T HA 0.257 4.607 4.350 -0.000 0.000 0.290 378 T C -0.543 174.209 174.700 0.087 0.000 0.993 378 T CA -0.928 61.205 62.100 0.056 0.000 0.975 378 T CB 1.265 70.148 68.868 0.024 0.000 0.981 378 T HN 0.445 nan 8.240 nan 0.000 0.439 379 D N 2.749 123.194 120.400 0.075 0.000 2.350 379 D HA 0.449 5.089 4.640 -0.000 0.000 0.249 379 D C 0.327 176.660 176.300 0.056 0.000 1.119 379 D CA 0.041 54.097 54.000 0.092 0.000 0.886 379 D CB 1.126 41.964 40.800 0.063 0.000 1.195 379 D HN 0.406 nan 8.370 nan 0.000 0.437 380 R N 1.145 121.677 120.500 0.054 0.000 2.644 380 R HA 0.073 4.413 4.340 -0.000 0.000 0.257 380 R C -1.344 174.969 176.300 0.021 0.000 1.082 380 R CA -0.622 55.492 56.100 0.024 0.000 0.927 380 R CB 1.440 31.741 30.300 0.003 0.000 1.258 380 R HN 0.367 nan 8.270 nan 0.000 0.459 381 E N 5.073 125.284 120.200 0.018 0.000 2.217 381 E HA 0.201 4.551 4.350 -0.000 0.000 0.279 381 E C -0.868 175.736 176.600 0.007 0.000 1.068 381 E CA -0.192 56.218 56.400 0.016 0.000 0.882 381 E CB 0.602 30.312 29.700 0.016 0.000 1.039 381 E HN 0.350 nan 8.360 nan 0.000 0.418 382 L N 3.451 124.674 121.223 0.000 0.000 2.334 382 L HA 0.395 4.735 4.340 -0.000 0.000 0.272 382 L C 0.785 177.661 176.870 0.009 0.000 1.020 382 L CA -0.593 54.248 54.840 0.001 0.000 0.812 382 L CB 1.928 43.977 42.059 -0.017 0.000 1.264 382 L HN 0.580 nan 8.230 nan 0.000 0.439 383 T N -1.737 112.826 114.554 0.017 0.000 3.115 383 T HA 0.100 4.449 4.350 -0.000 0.000 0.256 383 T C 0.215 174.929 174.700 0.023 0.000 0.970 383 T CA 0.244 62.354 62.100 0.017 0.000 1.010 383 T CB 0.775 69.652 68.868 0.016 0.000 1.151 383 T HN 0.592 nan 8.240 nan 0.000 0.479 384 T N 2.925 117.497 114.554 0.030 0.000 2.848 384 T HA 0.701 5.051 4.350 -0.000 0.000 0.285 384 T C -0.868 173.859 174.700 0.044 0.000 0.995 384 T CA -0.693 61.428 62.100 0.036 0.000 0.970 384 T CB 2.122 71.014 68.868 0.039 0.000 0.976 384 T HN 0.246 nan 8.240 nan 0.000 0.441 385 V N 0.917 120.857 119.914 0.044 0.000 2.876 385 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 385 V C -0.732 175.365 176.094 0.005 0.000 1.085 385 V CA -1.209 61.117 62.300 0.044 0.000 0.945 385 V CB 2.151 34.042 31.823 0.112 0.000 1.017 385 V HN 0.984 nan 8.190 nan 0.000 0.428 386 M N 3.187 122.754 119.600 -0.055 0.000 2.465 386 M HA 0.758 5.238 4.480 -0.000 0.000 0.316 386 M C -0.875 175.357 176.300 -0.114 0.000 1.121 386 M CA -0.278 54.995 55.300 -0.045 0.000 0.934 386 M CB 2.106 34.716 32.600 0.017 0.000 1.692 386 M HN 1.001 nan 8.290 nan 0.000 0.444 387 S N 3.729 119.381 115.700 -0.081 0.000 2.647 387 S HA 0.552 5.022 4.470 -0.000 0.000 0.300 387 S C -1.351 173.168 174.600 -0.134 0.000 1.129 387 S CA -0.814 57.317 58.200 -0.115 0.000 1.029 387 S CB 0.909 64.053 63.200 -0.093 0.000 1.007 387 S HN 0.859 nan 8.310 nan 0.000 0.484 388 N N 2.207 120.787 118.700 -0.200 0.000 2.487 388 N HA 0.545 5.285 4.740 -0.000 0.000 0.292 388 N C -1.187 173.987 175.510 -0.561 0.000 1.108 388 N CA -0.368 52.445 53.050 -0.395 0.000 0.956 388 N CB 1.804 39.993 38.487 -0.496 0.000 1.176 388 N HN 0.496 nan 8.380 nan 0.000 0.484 389 S N 1.285 116.524 115.700 -0.768 0.000 2.736 389 S HA 0.569 5.038 4.470 -0.000 0.000 0.285 389 S C -1.393 172.786 174.600 -0.702 0.000 1.163 389 S CA -0.608 57.224 58.200 -0.613 0.000 1.025 389 S CB 0.366 63.392 63.200 -0.291 0.000 1.030 389 S HN 0.296 nan 8.310 nan 0.000 0.486 390 F N 0.972 120.525 119.950 -0.663 0.000 2.551 390 F HA 0.874 5.401 4.527 -0.000 0.000 0.316 390 F C 0.694 176.306 175.800 -0.313 0.000 1.089 390 F CA -0.974 56.748 58.000 -0.463 0.000 0.915 390 F CB 1.874 40.604 39.000 -0.450 0.000 1.186 390 F HN 0.647 nan 8.300 nan 0.000 0.456 391 G N 0.814 109.709 108.800 0.158 0.000 2.680 391 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 391 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 391 G C -1.131 173.980 174.900 0.351 0.000 1.355 391 G CA -0.904 44.312 45.100 0.193 0.000 0.903 391 G HN 0.487 nan 8.290 nan 0.000 0.474 392 F N 0.064 120.117 119.950 0.172 0.000 2.626 392 F HA 0.254 4.781 4.527 -0.000 0.000 0.354 392 F C 1.723 177.588 175.800 0.108 0.000 1.168 392 F CA 1.330 59.418 58.000 0.146 0.000 1.368 392 F CB 0.758 39.853 39.000 0.157 0.000 1.092 392 F HN 0.906 nan 8.300 nan 0.000 0.612 393 G N 0.905 109.857 108.800 0.253 0.000 2.157 393 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.248 393 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.248 393 G C 0.673 175.643 174.900 0.117 0.000 0.979 393 G CA 0.099 45.290 45.100 0.151 0.000 0.650 393 G HN 1.782 nan 8.290 nan 0.000 0.529 394 G N -0.936 107.940 108.800 0.128 0.000 2.295 394 G HA2 0.083 4.043 3.960 -0.000 0.000 0.287 394 G HA3 0.083 4.043 3.960 -0.000 0.000 0.287 394 G C 0.371 175.325 174.900 0.090 0.000 1.055 394 G CA 1.429 46.577 45.100 0.080 0.000 0.922 394 G HN 2.022 nan 8.290 nan 0.000 0.503 395 T N 0.267 114.910 114.554 0.147 0.000 2.767 395 T HA 0.577 4.927 4.350 -0.000 0.000 0.284 395 T C 0.017 174.865 174.700 0.247 0.000 0.973 395 T CA -0.608 61.607 62.100 0.192 0.000 0.996 395 T CB 0.362 69.365 68.868 0.225 0.000 0.927 395 T HN 0.327 nan 8.240 nan 0.000 0.456 396 N N 2.936 121.790 118.700 0.258 0.000 2.269 396 N HA 0.724 5.464 4.740 -0.000 0.000 0.304 396 N C -1.292 174.345 175.510 0.210 0.000 1.072 396 N CA -0.648 52.578 53.050 0.293 0.000 0.802 396 N CB 2.143 40.747 38.487 0.194 0.000 1.348 396 N HN 0.772 nan 8.380 nan 0.000 0.484 397 A N 0.671 123.534 122.820 0.072 0.000 2.520 397 A HA 0.765 5.085 4.320 -0.000 0.000 0.298 397 A C -0.953 176.616 177.584 -0.025 0.000 1.051 397 A CA -0.495 51.491 52.037 -0.084 0.000 0.690 397 A CB 1.453 20.136 19.000 -0.528 0.000 1.281 397 A HN 0.449 nan 8.150 nan 0.000 0.402 398 T N 2.204 116.790 114.554 0.053 0.000 2.971 398 T HA 0.586 4.936 4.350 -0.000 0.000 0.304 398 T C -0.984 173.779 174.700 0.106 0.000 1.038 398 T CA -0.253 61.873 62.100 0.043 0.000 1.007 398 T CB 0.898 69.805 68.868 0.065 0.000 1.055 398 T HN 0.510 nan 8.240 nan 0.000 0.451 399 L N 2.784 124.035 121.223 0.047 0.000 2.341 399 L HA 0.771 5.111 4.340 -0.000 0.000 0.278 399 L C -0.750 176.138 176.870 0.030 0.000 1.005 399 L CA -1.148 53.725 54.840 0.055 0.000 0.818 399 L CB 1.985 44.038 42.059 -0.010 0.000 1.259 399 L HN 0.329 nan 8.230 nan 0.000 0.418 400 V N 4.131 124.073 119.914 0.047 0.000 2.448 400 V HA 0.518 4.638 4.120 -0.000 0.000 0.295 400 V C -0.074 176.036 176.094 0.027 0.000 1.025 400 V CA -0.331 61.991 62.300 0.038 0.000 0.859 400 V CB 1.788 33.642 31.823 0.052 0.000 0.988 400 V HN 0.718 nan 8.190 nan 0.000 0.431 401 M N 5.144 124.755 119.600 0.018 0.000 2.465 401 M HA 0.678 5.158 4.480 -0.000 0.000 0.316 401 M C -0.526 175.785 176.300 0.019 0.000 1.121 401 M CA -0.447 54.860 55.300 0.012 0.000 0.934 401 M CB 2.563 35.163 32.600 -0.000 0.000 1.692 401 M HN 0.560 nan 8.290 nan 0.000 0.444 402 R N 1.391 121.900 120.500 0.015 0.000 2.673 402 R HA 0.461 4.801 4.340 -0.000 0.000 0.281 402 R C -1.207 175.098 176.300 0.008 0.000 0.991 402 R CA -0.784 55.326 56.100 0.016 0.000 0.896 402 R CB 2.059 32.370 30.300 0.018 0.000 1.201 402 R HN 0.662 nan 8.270 nan 0.000 0.457 403 K N 2.904 123.308 120.400 0.007 0.000 2.414 403 K HA 0.164 4.484 4.320 -0.000 0.000 0.272 403 K C -0.337 176.258 176.600 -0.009 0.000 0.993 403 K CA 0.089 56.374 56.287 -0.003 0.000 0.964 403 K CB 0.590 33.090 32.500 -0.001 0.000 0.925 403 K HN 0.412 nan 8.250 nan 0.000 0.487 404 L N 3.150 124.359 121.223 -0.022 0.000 2.344 404 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 404 L C 0.245 177.104 176.870 -0.020 0.000 1.035 404 L CA -1.080 53.747 54.840 -0.022 0.000 0.807 404 L CB 1.185 43.224 42.059 -0.034 0.000 1.237 404 L HN 0.426 nan 8.230 nan 0.000 0.442 405 K N 1.897 122.289 120.400 -0.013 0.000 2.436 405 K HA 0.113 4.433 4.320 -0.000 0.000 0.275 405 K C -0.410 176.182 176.600 -0.013 0.000 0.999 405 K CA 0.024 56.305 56.287 -0.010 0.000 0.980 405 K CB 0.070 32.566 32.500 -0.006 0.000 0.919 405 K HN 0.529 nan 8.250 nan 0.000 0.484 406 D N 0.000 120.394 120.400 -0.010 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.009 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683