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 2bz3_1_A 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 PIDYLNSEGT 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 0.000 176.305 176.300 0.009 0.000 1.140 1 M CA 0.000 55.307 55.300 0.013 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 1.767 122.171 120.400 0.007 0.000 2.414 2 K HA 0.332 4.652 4.320 -0.000 0.000 0.272 2 K C -0.625 175.975 176.600 0.000 0.000 0.993 2 K CA 0.269 56.557 56.287 0.002 0.000 0.964 2 K CB 0.273 32.772 32.500 -0.002 0.000 0.925 2 K HN 0.574 nan 8.250 nan 0.000 0.487 3 R N 0.323 120.821 120.500 -0.004 0.000 2.540 3 R HA 0.554 4.894 4.340 -0.000 0.000 0.287 3 R C -0.473 175.816 176.300 -0.018 0.000 0.980 3 R CA -0.709 55.387 56.100 -0.007 0.000 0.966 3 R CB 1.681 31.977 30.300 -0.007 0.000 1.106 3 R HN 0.647 nan 8.270 nan 0.000 0.480 4 A N 2.068 124.873 122.820 -0.024 0.000 2.331 4 A HA 0.630 4.950 4.320 -0.000 0.000 0.320 4 A C -0.449 177.110 177.584 -0.042 0.000 1.138 4 A CA -0.683 51.328 52.037 -0.042 0.000 0.790 4 A CB 1.148 20.115 19.000 -0.055 0.000 1.206 4 A HN 0.531 nan 8.150 nan 0.000 0.470 5 V N 0.101 119.985 119.914 -0.049 0.000 3.001 5 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 5 V C -0.682 175.384 176.094 -0.047 0.000 1.099 5 V CA -1.087 61.187 62.300 -0.043 0.000 0.989 5 V CB 1.767 33.566 31.823 -0.041 0.000 1.040 5 V HN 0.614 nan 8.190 nan 0.000 0.434 6 I N 3.270 123.829 120.570 -0.019 0.000 2.315 6 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 6 I C 1.188 177.365 176.117 0.100 0.000 1.006 6 I CA 0.206 61.511 61.300 0.008 0.000 1.265 6 I CB 1.028 39.028 38.000 0.001 0.000 1.387 6 I HN 1.043 nan 8.210 nan 0.000 0.475 7 T N 1.201 115.799 114.554 0.074 0.000 3.044 7 T HA 0.457 4.807 4.350 -0.000 0.000 0.260 7 T C 0.581 175.412 174.700 0.218 0.000 1.019 7 T CA -0.245 61.913 62.100 0.096 0.000 0.921 7 T CB 0.558 69.434 68.868 0.013 0.000 1.053 7 T HN 0.729 nan 8.240 nan 0.000 0.533 8 G N 1.376 110.308 108.800 0.219 0.000 2.702 8 G HA2 0.566 4.526 3.960 -0.000 0.000 0.296 8 G HA3 0.566 4.526 3.960 -0.000 0.000 0.296 8 G C -1.974 172.948 174.900 0.037 0.000 1.463 8 G CA -0.963 44.263 45.100 0.210 0.000 0.890 8 G HN 0.625 nan 8.290 nan 0.000 0.534 9 L N -0.968 120.251 121.223 -0.005 0.000 2.415 9 L HA 1.071 5.411 4.340 -0.000 0.000 0.256 9 L C -0.040 176.792 176.870 -0.065 0.000 1.010 9 L CA -0.930 53.840 54.840 -0.116 0.000 0.826 9 L CB 1.957 43.841 42.059 -0.290 0.000 1.405 9 L HN 1.226 nan 8.230 nan 0.000 0.410 10 G N 0.720 109.471 108.800 -0.083 0.000 2.733 10 G HA2 0.749 4.709 3.960 -0.000 0.000 0.297 10 G HA3 0.749 4.709 3.960 -0.000 0.000 0.297 10 G C -2.100 172.760 174.900 -0.067 0.000 1.422 10 G CA -0.591 44.473 45.100 -0.059 0.000 0.942 10 G HN 1.031 nan 8.290 nan 0.000 0.510 11 I N 0.571 121.116 120.570 -0.042 0.000 2.842 11 I HA 0.621 4.791 4.170 -0.000 0.000 0.297 11 I C -1.555 174.546 176.117 -0.027 0.000 1.380 11 I CA -0.960 60.311 61.300 -0.049 0.000 1.018 11 I CB 2.355 40.317 38.000 -0.064 0.000 1.311 11 I HN 0.365 nan 8.210 nan 0.000 0.439 12 V N 5.842 125.727 119.914 -0.049 0.000 2.398 12 V HA 0.540 4.660 4.120 -0.000 0.000 0.282 12 V C -0.382 175.623 176.094 -0.148 0.000 1.014 12 V CA -0.268 61.982 62.300 -0.082 0.000 0.838 12 V CB 1.190 32.968 31.823 -0.077 0.000 1.018 12 V HN 0.728 nan 8.190 nan 0.000 0.432 13 S N 2.553 118.196 115.700 -0.095 0.000 2.667 13 S HA 0.479 4.949 4.470 -0.000 0.000 0.292 13 S C 1.335 175.886 174.600 -0.080 0.000 1.126 13 S CA 0.207 58.364 58.200 -0.072 0.000 0.881 13 S CB 2.197 65.444 63.200 0.077 0.000 1.132 13 S HN 0.937 nan 8.310 nan 0.000 0.492 14 S N 1.350 117.007 115.700 -0.070 0.000 2.469 14 S HA -0.074 4.396 4.470 -0.000 0.000 0.238 14 S C 1.415 175.995 174.600 -0.033 0.000 0.998 14 S CA 1.245 59.405 58.200 -0.066 0.000 0.957 14 S CB -0.979 62.192 63.200 -0.047 0.000 0.764 14 S HN 0.835 nan 8.310 nan 0.000 0.514 15 I N -2.589 117.970 120.570 -0.019 0.000 3.941 15 I HA 0.661 4.831 4.170 -0.000 0.000 0.335 15 I C 0.564 176.674 176.117 -0.012 0.000 1.402 15 I CA -0.419 60.865 61.300 -0.027 0.000 1.112 15 I CB 0.196 38.153 38.000 -0.072 0.000 1.043 15 I HN 0.275 nan 8.210 nan 0.000 0.395 16 G N 1.110 109.908 108.800 -0.004 0.000 2.386 16 G HA2 0.051 4.011 3.960 -0.000 0.000 0.302 16 G HA3 0.051 4.011 3.960 -0.000 0.000 0.302 16 G C -0.852 174.047 174.900 -0.002 0.000 1.629 16 G CA -0.639 44.463 45.100 0.003 0.000 0.917 16 G HN 0.009 nan 8.290 nan 0.000 0.676 17 N N 0.120 118.819 118.700 -0.002 0.000 2.270 17 N HA 0.104 4.844 4.740 -0.000 0.000 0.198 17 N C 0.323 175.840 175.510 0.012 0.000 1.117 17 N CA 0.595 53.644 53.050 -0.000 0.000 0.845 17 N CB 0.363 38.853 38.487 0.006 0.000 0.980 17 N HN 0.821 nan 8.380 nan 0.000 0.486 18 N N -1.680 117.029 118.700 0.016 0.000 3.046 18 N HA -0.020 4.720 4.740 -0.000 0.000 0.243 18 N C 0.371 175.899 175.510 0.030 0.000 1.452 18 N CA -0.688 52.374 53.050 0.021 0.000 0.882 18 N CB 0.515 39.016 38.487 0.022 0.000 1.425 18 N HN -0.155 nan 8.380 nan 0.000 0.517 19 Q N -1.158 118.665 119.800 0.037 0.000 2.291 19 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 19 Q C 0.722 176.751 176.000 0.049 0.000 0.976 19 Q CA 1.519 57.356 55.803 0.057 0.000 0.875 19 Q CB -0.240 28.543 28.738 0.075 0.000 0.927 19 Q HN 0.630 nan 8.270 nan 0.000 0.450 20 Q N 1.184 121.000 119.800 0.027 0.000 2.049 20 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 20 Q C 1.725 177.713 176.000 -0.020 0.000 0.971 20 Q CA 1.821 57.620 55.803 -0.006 0.000 0.833 20 Q CB 0.102 28.836 28.738 -0.006 0.000 0.896 20 Q HN 0.570 nan 8.270 nan 0.000 0.434 21 E N -0.521 119.676 120.200 -0.005 0.000 2.110 21 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 21 E C 1.919 178.514 176.600 -0.009 0.000 0.988 21 E CA 1.218 57.611 56.400 -0.011 0.000 0.804 21 E CB 0.031 29.729 29.700 -0.003 0.000 0.745 21 E HN 0.111 nan 8.360 nan 0.000 0.458 22 V N 1.483 121.409 119.914 0.020 0.000 2.358 22 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 22 V C 2.279 178.389 176.094 0.027 0.000 1.047 22 V CA 1.298 63.626 62.300 0.046 0.000 1.035 22 V CB -0.383 31.524 31.823 0.140 0.000 0.658 22 V HN 0.232 nan 8.190 nan 0.000 0.452 23 L N 1.221 122.454 121.223 0.017 0.000 1.989 23 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 23 L C 2.471 179.273 176.870 -0.114 0.000 1.071 23 L CA 2.594 57.417 54.840 -0.029 0.000 0.749 23 L CB -1.143 40.829 42.059 -0.145 0.000 0.890 23 L HN 0.224 nan 8.230 nan 0.000 0.431 24 A N -1.351 121.400 122.820 -0.115 0.000 1.883 24 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 24 A C 2.395 179.918 177.584 -0.102 0.000 1.186 24 A CA 2.240 54.202 52.037 -0.125 0.000 0.624 24 A CB -1.150 17.796 19.000 -0.090 0.000 0.822 24 A HN 0.572 nan 8.150 nan 0.000 0.444 25 S N -0.172 115.485 115.700 -0.071 0.000 2.370 25 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 25 S C 1.838 176.395 174.600 -0.071 0.000 1.033 25 S CA 1.531 59.691 58.200 -0.067 0.000 1.011 25 S CB -0.492 62.668 63.200 -0.066 0.000 0.852 25 S HN 0.504 nan 8.310 nan 0.000 0.457 26 L N 0.725 121.916 121.223 -0.053 0.000 2.046 26 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 26 L C 2.723 179.624 176.870 0.052 0.000 1.077 26 L CA 1.286 56.136 54.840 0.016 0.000 0.747 26 L CB -0.422 41.734 42.059 0.161 0.000 0.896 26 L HN 0.211 nan 8.230 nan 0.000 0.432 27 R N 0.001 120.435 120.500 -0.111 0.000 2.115 27 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 27 R C 1.807 178.037 176.300 -0.117 0.000 1.111 27 R CA 1.129 57.085 56.100 -0.239 0.000 0.976 27 R CB -0.041 29.980 30.300 -0.465 0.000 0.870 27 R HN 0.460 nan 8.270 nan 0.000 0.445 28 E N -0.838 119.307 120.200 -0.092 0.000 2.474 28 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 28 E C 0.538 177.114 176.600 -0.040 0.000 1.041 28 E CA 0.272 56.634 56.400 -0.064 0.000 0.874 28 E CB 0.710 30.372 29.700 -0.064 0.000 0.914 28 E HN 0.428 nan 8.360 nan 0.000 0.498 29 G N 2.670 111.450 108.800 -0.034 0.000 2.273 29 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.280 29 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.280 29 G C -0.162 174.718 174.900 -0.033 0.000 1.047 29 G CA 0.137 45.221 45.100 -0.027 0.000 0.869 29 G HN 0.150 nan 8.290 nan 0.000 0.502 30 R N 0.286 120.761 120.500 -0.042 0.000 2.298 30 R HA 0.447 4.787 4.340 -0.000 0.000 0.310 30 R C 0.855 177.133 176.300 -0.036 0.000 1.068 30 R CA 0.184 56.264 56.100 -0.034 0.000 0.957 30 R CB 1.101 31.380 30.300 -0.035 0.000 1.003 30 R HN 0.258 nan 8.270 nan 0.000 0.454 31 S N 0.903 116.593 115.700 -0.018 0.000 2.576 31 S HA 0.238 4.708 4.470 -0.000 0.000 0.276 31 S C 1.018 175.618 174.600 0.002 0.000 1.339 31 S CA -0.315 57.880 58.200 -0.009 0.000 1.039 31 S CB 1.064 64.269 63.200 0.008 0.000 0.902 31 S HN 0.768 nan 8.310 nan 0.000 0.516 32 G N 3.288 112.092 108.800 0.007 0.000 3.377 32 G HA2 0.251 4.211 3.960 -0.000 0.000 0.257 32 G HA3 0.251 4.211 3.960 -0.000 0.000 0.257 32 G C 0.003 174.937 174.900 0.058 0.000 1.038 32 G CA -0.256 44.854 45.100 0.017 0.000 0.809 32 G HN 0.584 nan 8.290 nan 0.000 0.526 33 I N 2.700 123.318 120.570 0.080 0.000 2.428 33 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 33 I C 0.641 176.861 176.117 0.171 0.000 1.019 33 I CA -0.293 61.091 61.300 0.139 0.000 1.351 33 I CB 0.575 38.647 38.000 0.121 0.000 1.412 33 I HN 0.096 nan 8.210 nan 0.000 0.513 34 T N 2.562 117.271 114.554 0.258 0.000 2.865 34 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 34 T C -0.526 174.318 174.700 0.241 0.000 1.119 34 T CA -0.731 61.523 62.100 0.257 0.000 1.007 34 T CB 1.731 70.764 68.868 0.276 0.000 1.225 34 T HN 0.200 nan 8.240 nan 0.000 0.515 35 F N 1.622 121.616 119.950 0.073 0.000 2.471 35 F HA 0.557 5.084 4.527 -0.000 0.000 0.353 35 F C 0.475 176.186 175.800 -0.147 0.000 1.113 35 F CA -0.105 57.884 58.000 -0.018 0.000 1.262 35 F CB 0.946 39.944 39.000 -0.003 0.000 1.146 35 F HN 0.679 nan 8.300 nan 0.000 0.578 36 S N 4.883 119.781 115.700 -1.336 0.000 2.669 36 S HA 0.193 4.663 4.470 -0.000 0.000 0.315 36 S C 0.491 174.296 174.600 -1.324 0.000 1.106 36 S CA -0.664 56.713 58.200 -1.371 0.000 1.107 36 S CB 1.238 63.166 63.200 -2.120 0.000 0.990 36 S HN 0.872 nan 8.310 nan 0.000 0.471 37 Q N 3.393 122.744 119.800 -0.748 0.000 2.167 37 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 37 Q C 1.732 177.506 176.000 -0.378 0.000 0.970 37 Q CA 2.161 57.733 55.803 -0.386 0.000 0.855 37 Q CB -0.136 28.579 28.738 -0.039 0.000 0.911 37 Q HN 0.907 nan 8.270 nan 0.000 0.438 38 E N -0.453 119.519 120.200 -0.380 0.000 2.038 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 38 E C 1.803 178.234 176.600 -0.282 0.000 1.000 38 E CA 1.424 57.688 56.400 -0.228 0.000 0.803 38 E CB -0.200 29.480 29.700 -0.033 0.000 0.750 38 E HN 0.458 nan 8.360 nan 0.000 0.448 39 L N 0.648 121.601 121.223 -0.449 0.000 2.046 39 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 39 L C 2.873 179.572 176.870 -0.286 0.000 1.077 39 L CA 1.509 56.188 54.840 -0.270 0.000 0.747 39 L CB -0.567 41.312 42.059 -0.300 0.000 0.896 39 L HN 0.168 nan 8.230 nan 0.000 0.432 40 K N 0.301 120.388 120.400 -0.521 0.000 2.026 40 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 40 K C 1.628 178.012 176.600 -0.360 0.000 1.048 40 K CA 1.808 57.689 56.287 -0.676 0.000 0.929 40 K CB 0.003 31.999 32.500 -0.840 0.000 0.713 40 K HN 0.206 nan 8.250 nan 0.000 0.439 41 D N 0.224 120.442 120.400 -0.302 0.000 2.218 41 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 41 D C 1.863 177.984 176.300 -0.298 0.000 0.976 41 D CA 1.380 55.234 54.000 -0.244 0.000 0.853 41 D CB -0.057 40.620 40.800 -0.206 0.000 0.939 41 D HN 0.356 nan 8.370 nan 0.000 0.481 42 S N -0.934 114.551 115.700 -0.359 0.000 2.515 42 S HA 0.138 4.608 4.470 -0.000 0.000 0.231 42 S C 1.758 176.185 174.600 -0.288 0.000 0.987 42 S CA 0.896 58.794 58.200 -0.502 0.000 0.936 42 S CB 0.223 63.117 63.200 -0.510 0.000 0.766 42 S HN 0.303 nan 8.310 nan 0.000 0.528 43 G N 0.563 109.262 108.800 -0.169 0.000 2.163 43 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.213 43 G C 0.000 174.905 174.900 0.008 0.000 0.991 43 G CA 0.064 45.118 45.100 -0.077 0.000 0.653 43 G HN 0.477 nan 8.290 nan 0.000 0.518 44 M N -0.603 119.021 119.600 0.041 0.000 2.163 44 M HA 0.448 4.928 4.480 -0.000 0.000 0.305 44 M C 1.831 178.239 176.300 0.179 0.000 1.166 44 M CA -0.027 55.337 55.300 0.106 0.000 1.132 44 M CB 0.564 33.237 32.600 0.121 0.000 1.413 44 M HN 0.124 nan 8.290 nan 0.000 0.478 45 R N -0.480 120.057 120.500 0.061 0.000 2.189 45 R HA 0.119 4.459 4.340 -0.000 0.000 0.203 45 R C 0.437 176.552 176.300 -0.308 0.000 1.012 45 R CA 0.179 56.228 56.100 -0.085 0.000 1.015 45 R CB 0.313 30.576 30.300 -0.061 0.000 0.938 45 R HN 0.573 nan 8.270 nan 0.000 0.472 46 S N 0.450 116.085 115.700 -0.110 0.000 2.465 46 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 46 S C -0.111 174.502 174.600 0.022 0.000 1.201 46 S CA -0.505 57.633 58.200 -0.104 0.000 1.053 46 S CB 0.296 63.475 63.200 -0.035 0.000 0.953 46 S HN 0.340 nan 8.310 nan 0.000 0.488 47 H N 2.881 121.891 119.070 -0.100 0.000 2.475 47 H HA 0.341 4.897 4.556 -0.000 0.000 0.276 47 H C -0.046 175.058 175.328 -0.374 0.000 1.126 47 H CA -0.616 55.262 56.048 -0.284 0.000 1.023 47 H CB 0.550 30.211 29.762 -0.169 0.000 1.669 47 H HN 0.459 nan 8.280 nan 0.000 0.573 48 V N -1.818 118.044 119.914 -0.087 0.000 2.962 48 V HA 0.663 4.783 4.120 -0.000 0.000 0.313 48 V C -1.424 174.738 176.094 0.113 0.000 1.099 48 V CA -0.930 61.352 62.300 -0.029 0.000 0.971 48 V CB 2.317 34.201 31.823 0.101 0.000 1.028 48 V HN 0.400 nan 8.190 nan 0.000 0.430 49 W N 0.920 122.238 121.300 0.031 0.000 3.153 49 W HA 0.792 5.452 4.660 -0.000 0.000 0.316 49 W C -0.399 176.145 176.519 0.041 0.000 1.255 49 W CA -1.607 55.762 57.345 0.040 0.000 1.192 49 W CB 0.765 30.246 29.460 0.035 0.000 1.400 49 W HN 1.067 nan 8.180 nan 0.000 0.568 50 G N 2.140 111.059 108.800 0.198 0.000 2.696 50 G HA2 0.405 4.365 3.960 -0.000 0.000 0.329 50 G HA3 0.405 4.365 3.960 -0.000 0.000 0.329 50 G C -0.426 174.360 174.900 -0.190 0.000 0.973 50 G CA -0.777 44.344 45.100 0.035 0.000 1.257 50 G HN 0.629 nan 8.290 nan 0.000 0.456 51 N N 0.274 118.785 118.700 -0.315 0.000 2.515 51 N HA 0.433 5.173 4.740 -0.000 0.000 0.279 51 N C -0.388 174.961 175.510 -0.270 0.000 1.164 51 N CA -0.904 51.842 53.050 -0.506 0.000 0.982 51 N CB 2.025 40.127 38.487 -0.641 0.000 1.170 51 N HN 0.014 nan 8.380 nan 0.000 0.474 52 V N 1.166 120.904 119.914 -0.293 0.000 2.455 52 V HA 0.067 4.187 4.120 -0.000 0.000 0.273 52 V C 0.089 176.116 176.094 -0.112 0.000 1.045 52 V CA -0.265 61.893 62.300 -0.236 0.000 0.976 52 V CB 0.551 32.140 31.823 -0.389 0.000 0.993 52 V HN 0.683 nan 8.190 nan 0.000 0.475 53 K N 6.032 126.394 120.400 -0.065 0.000 2.180 53 K HA 0.643 4.963 4.320 -0.000 0.000 0.250 53 K C -0.788 175.813 176.600 0.002 0.000 1.135 53 K CA 0.288 56.567 56.287 -0.013 0.000 1.037 53 K CB 0.185 32.686 32.500 0.002 0.000 1.624 53 K HN 0.593 nan 8.250 nan 0.000 0.382 54 L N 0.310 121.544 121.223 0.018 0.000 2.703 54 L HA 0.290 4.630 4.340 -0.000 0.000 0.257 54 L C -1.934 174.970 176.870 0.056 0.000 0.923 54 L CA -0.653 54.209 54.840 0.037 0.000 0.936 54 L CB 1.936 44.018 42.059 0.038 0.000 1.482 54 L HN 0.231 nan 8.230 nan 0.000 0.432 55 D N 2.016 122.445 120.400 0.048 0.000 2.359 55 D HA 0.240 4.880 4.640 -0.000 0.000 0.230 55 D C 1.032 177.358 176.300 0.043 0.000 1.118 55 D CA 0.169 54.196 54.000 0.045 0.000 0.844 55 D CB 1.731 42.551 40.800 0.034 0.000 1.059 55 D HN 0.639 nan 8.370 nan 0.000 0.493 56 T N 0.002 114.585 114.554 0.048 0.000 3.160 56 T HA -0.003 4.346 4.350 -0.000 0.000 0.257 56 T C 0.837 175.535 174.700 -0.003 0.000 1.147 56 T CA -0.130 61.991 62.100 0.034 0.000 1.064 56 T CB -0.463 68.425 68.868 0.034 0.000 0.949 56 T HN 0.258 nan 8.240 nan 0.000 0.526 57 T N 2.500 117.051 114.554 -0.005 0.000 2.866 57 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 57 T C 1.535 176.222 174.700 -0.022 0.000 1.005 57 T CA 0.850 62.938 62.100 -0.020 0.000 1.162 57 T CB -0.041 68.821 68.868 -0.010 0.000 0.968 57 T HN 0.747 nan 8.240 nan 0.000 0.530 58 G N 2.690 111.465 108.800 -0.041 0.000 2.168 58 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 58 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 58 G C 0.792 175.675 174.900 -0.029 0.000 0.977 58 G CA 0.383 45.460 45.100 -0.038 0.000 0.659 58 G HN 0.709 nan 8.290 nan 0.000 0.533 59 L N -0.587 120.620 121.223 -0.026 0.000 2.492 59 L HA 0.400 4.740 4.340 -0.000 0.000 0.223 59 L C 1.178 178.038 176.870 -0.016 0.000 1.132 59 L CA 0.549 55.391 54.840 0.003 0.000 0.850 59 L CB 0.033 42.113 42.059 0.035 0.000 0.966 59 L HN 0.274 nan 8.230 nan 0.000 0.454 60 I N -0.965 119.540 120.570 -0.108 0.000 2.545 60 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 60 I C -0.603 175.400 176.117 -0.190 0.000 1.040 60 I CA -1.007 60.156 61.300 -0.229 0.000 1.068 60 I CB 2.089 39.782 38.000 -0.511 0.000 1.251 60 I HN -0.136 nan 8.210 nan 0.000 0.424 61 D N 5.252 125.556 120.400 -0.161 0.000 2.571 61 D HA -0.060 4.580 4.640 -0.000 0.000 0.231 61 D C 1.379 177.594 176.300 -0.141 0.000 1.133 61 D CA 0.274 54.204 54.000 -0.117 0.000 0.862 61 D CB 0.855 41.601 40.800 -0.090 0.000 1.179 61 D HN 0.585 nan 8.370 nan 0.000 0.474 62 R N 2.954 123.387 120.500 -0.112 0.000 2.103 62 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 62 R C 1.249 177.463 176.300 -0.143 0.000 1.142 62 R CA 1.071 57.095 56.100 -0.127 0.000 0.960 62 R CB -0.228 30.014 30.300 -0.096 0.000 0.858 62 R HN 0.309 nan 8.270 nan 0.000 0.439 63 K N 0.679 121.024 120.400 -0.091 0.000 2.439 63 K HA 0.015 4.335 4.320 -0.000 0.000 0.197 63 K C 1.827 178.439 176.600 0.021 0.000 1.041 63 K CA 0.828 57.089 56.287 -0.045 0.000 0.970 63 K CB 0.297 32.802 32.500 0.007 0.000 0.773 63 K HN 0.091 nan 8.250 nan 0.000 0.479 64 V N -0.132 119.748 119.914 -0.058 0.000 2.436 64 V HA -0.097 4.023 4.120 -0.000 0.000 0.240 64 V C 1.882 177.912 176.094 -0.105 0.000 1.040 64 V CA 0.789 63.053 62.300 -0.060 0.000 1.052 64 V CB 0.229 31.937 31.823 -0.190 0.000 0.707 64 V HN 0.046 nan 8.190 nan 0.000 0.469 65 V N 2.469 122.242 119.914 -0.235 0.000 2.867 65 V HA -0.205 3.915 4.120 -0.000 0.000 0.260 65 V C 2.745 178.662 176.094 -0.296 0.000 1.099 65 V CA 2.105 64.239 62.300 -0.277 0.000 1.122 65 V CB -0.706 30.948 31.823 -0.281 0.000 0.708 65 V HN 0.705 nan 8.190 nan 0.000 0.490 66 R N -1.057 119.216 120.500 -0.378 0.000 2.193 66 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 66 R C 1.804 177.591 176.300 -0.855 0.000 1.110 66 R CA 2.040 57.707 56.100 -0.722 0.000 0.988 66 R CB -0.682 28.979 30.300 -1.066 0.000 0.871 66 R HN 0.502 nan 8.270 nan 0.000 0.458 67 F N 0.985 120.675 119.950 -0.434 0.000 2.776 67 F HA 0.325 4.852 4.527 -0.000 0.000 0.300 67 F C 0.881 176.522 175.800 -0.265 0.000 1.116 67 F CA -0.150 57.688 58.000 -0.269 0.000 1.375 67 F CB 0.134 39.050 39.000 -0.140 0.000 1.109 67 F HN -0.116 nan 8.300 nan 0.000 0.585 68 M N -0.180 119.325 119.600 -0.158 0.000 2.367 68 M HA 0.343 4.823 4.480 -0.000 0.000 0.339 68 M C 0.449 176.556 176.300 -0.321 0.000 1.177 68 M CA -0.624 54.557 55.300 -0.199 0.000 1.068 68 M CB 1.522 34.015 32.600 -0.179 0.000 1.602 68 M HN -0.025 nan 8.290 nan 0.000 0.457 69 S N -0.458 115.089 115.700 -0.256 0.000 2.758 69 S HA 0.352 4.822 4.470 -0.000 0.000 0.292 69 S C 0.290 174.790 174.600 -0.167 0.000 1.131 69 S CA -0.791 57.287 58.200 -0.203 0.000 0.997 69 S CB 1.098 64.253 63.200 -0.076 0.000 1.111 69 S HN 0.672 nan 8.310 nan 0.000 0.552 70 D N 1.028 121.336 120.400 -0.154 0.000 2.149 70 D HA -0.038 4.602 4.640 -0.000 0.000 0.198 70 D C 2.193 178.170 176.300 -0.538 0.000 0.990 70 D CA 1.777 55.507 54.000 -0.450 0.000 0.839 70 D CB -0.885 39.657 40.800 -0.430 0.000 0.948 70 D HN 0.669 nan 8.370 nan 0.000 0.460 71 A N 0.508 123.215 122.820 -0.189 0.000 1.892 71 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 71 A C 2.452 180.025 177.584 -0.019 0.000 1.188 71 A CA 2.191 54.212 52.037 -0.028 0.000 0.631 71 A CB -0.698 18.321 19.000 0.033 0.000 0.822 71 A HN 0.200 nan 8.150 nan 0.000 0.447 72 S N -0.342 115.331 115.700 -0.045 0.000 2.383 72 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 72 S C 1.796 176.414 174.600 0.031 0.000 1.026 72 S CA 1.352 59.559 58.200 0.010 0.000 0.981 72 S CB -0.476 62.717 63.200 -0.011 0.000 0.818 72 S HN 0.531 nan 8.310 nan 0.000 0.472 73 I N 0.368 120.872 120.570 -0.110 0.000 2.179 73 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 73 I C 2.056 178.225 176.117 0.087 0.000 1.088 73 I CA 1.317 62.560 61.300 -0.095 0.000 1.357 73 I CB -0.439 37.408 38.000 -0.255 0.000 1.051 73 I HN 0.255 nan 8.210 nan 0.000 0.409 74 Y N 0.879 121.216 120.300 0.062 0.000 2.181 74 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 74 Y C 2.666 178.606 175.900 0.066 0.000 1.146 74 Y CA 0.794 58.924 58.100 0.051 0.000 1.164 74 Y CB -1.363 37.107 38.460 0.015 0.000 0.982 74 Y HN 0.125 nan 8.280 nan 0.000 0.515 75 A N -0.433 122.524 122.820 0.228 0.000 1.898 75 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 75 A C 2.212 179.879 177.584 0.138 0.000 1.181 75 A CA 1.271 53.389 52.037 0.135 0.000 0.620 75 A CB -1.366 17.694 19.000 0.100 0.000 0.819 75 A HN 0.440 nan 8.150 nan 0.000 0.442 76 F N 0.703 120.696 119.950 0.072 0.000 2.095 76 F HA -0.194 4.333 4.527 0.000 0.000 0.298 76 F C 1.945 177.823 175.800 0.130 0.000 1.104 76 F CA 1.956 60.038 58.000 0.138 0.000 1.232 76 F CB -0.189 38.879 39.000 0.114 0.000 0.987 76 F HN 0.146 nan 8.300 nan 0.000 0.475 77 L N -0.710 120.747 121.223 0.391 0.000 2.083 77 L HA -0.229 4.111 4.340 -0.000 0.000 0.209 77 L C 2.508 179.424 176.870 0.077 0.000 1.083 77 L CA 1.356 56.347 54.840 0.252 0.000 0.752 77 L CB -0.912 41.290 42.059 0.238 0.000 0.899 77 L HN 0.095 nan 8.230 nan 0.000 0.433 78 S N -0.357 115.373 115.700 0.050 0.000 2.368 78 S HA -0.215 4.255 4.470 -0.000 0.000 0.225 78 S C 1.934 176.464 174.600 -0.117 0.000 1.030 78 S CA 1.543 59.728 58.200 -0.025 0.000 0.999 78 S CB -0.219 62.968 63.200 -0.022 0.000 0.844 78 S HN 0.361 nan 8.310 nan 0.000 0.459 79 M N 1.365 120.834 119.600 -0.218 0.000 2.175 79 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 79 M C 1.932 177.938 176.300 -0.490 0.000 1.063 79 M CA 1.387 56.406 55.300 -0.468 0.000 1.119 79 M CB -0.127 31.974 32.600 -0.832 0.000 1.377 79 M HN 0.245 nan 8.290 nan 0.000 0.415 80 E N -0.168 119.848 120.200 -0.308 0.000 2.077 80 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 80 E C 2.040 178.579 176.600 -0.102 0.000 0.989 80 E CA 1.638 57.949 56.400 -0.148 0.000 0.800 80 E CB -0.148 29.548 29.700 -0.007 0.000 0.746 80 E HN 0.674 nan 8.360 nan 0.000 0.452 81 Q N 0.138 119.896 119.800 -0.070 0.000 2.050 81 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 81 Q C 2.261 178.236 176.000 -0.041 0.000 0.980 81 Q CA 1.406 57.190 55.803 -0.032 0.000 0.840 81 Q CB -0.208 28.520 28.738 -0.016 0.000 0.898 81 Q HN 0.233 nan 8.270 nan 0.000 0.424 82 A N 0.877 123.649 122.820 -0.080 0.000 1.908 82 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 82 A C 2.048 179.614 177.584 -0.029 0.000 1.181 82 A CA 1.300 53.309 52.037 -0.047 0.000 0.627 82 A CB -0.703 18.263 19.000 -0.058 0.000 0.818 82 A HN 0.322 nan 8.150 nan 0.000 0.445 83 I N -0.376 120.118 120.570 -0.126 0.000 2.179 83 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 83 I C 2.986 179.089 176.117 -0.024 0.000 1.088 83 I CA 1.137 62.360 61.300 -0.128 0.000 1.357 83 I CB -0.321 37.472 38.000 -0.345 0.000 1.051 83 I HN 0.366 nan 8.210 nan 0.000 0.409 84 A N 0.203 123.015 122.820 -0.013 0.000 1.902 84 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 84 A C 2.006 179.615 177.584 0.042 0.000 1.181 84 A CA 2.261 54.314 52.037 0.026 0.000 0.623 84 A CB -0.709 18.306 19.000 0.025 0.000 0.818 84 A HN 0.451 nan 8.150 nan 0.000 0.443 85 D N -0.191 120.239 120.400 0.050 0.000 2.178 85 D HA 0.003 4.643 4.640 -0.000 0.000 0.201 85 D C 1.785 178.152 176.300 0.112 0.000 0.980 85 D CA 1.396 55.451 54.000 0.092 0.000 0.842 85 D CB -0.152 40.725 40.800 0.129 0.000 0.948 85 D HN 0.335 nan 8.370 nan 0.000 0.472 86 A N -0.761 122.114 122.820 0.092 0.000 2.169 86 A HA 0.411 4.731 4.320 -0.000 0.000 0.212 86 A C 1.789 179.416 177.584 0.072 0.000 1.153 86 A CA 0.949 53.039 52.037 0.088 0.000 0.756 86 A CB -0.506 18.529 19.000 0.059 0.000 0.813 86 A HN 0.454 nan 8.150 nan 0.000 0.471 87 G N -0.780 108.060 108.800 0.066 0.000 2.198 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 87 G C -0.100 174.851 174.900 0.086 0.000 1.042 87 G CA 0.329 45.468 45.100 0.064 0.000 0.791 87 G HN 0.456 nan 8.290 nan 0.000 0.502 88 L N 1.775 123.065 121.223 0.111 0.000 2.264 88 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 88 L C 1.236 178.262 176.870 0.260 0.000 1.044 88 L CA -0.251 54.702 54.840 0.188 0.000 0.807 88 L CB 1.436 43.626 42.059 0.217 0.000 1.192 88 L HN 0.430 nan 8.230 nan 0.000 0.425 89 S N 2.694 118.523 115.700 0.215 0.000 2.617 89 S HA 0.358 4.828 4.470 -0.000 0.000 0.269 89 S C -1.917 172.785 174.600 0.169 0.000 1.292 89 S CA -1.189 57.115 58.200 0.172 0.000 1.010 89 S CB 1.285 64.536 63.200 0.085 0.000 0.944 89 S HN 0.357 nan 8.310 nan 0.000 0.536 90 P HA -0.141 nan 4.420 nan 0.000 0.216 90 P C 1.363 178.470 177.300 -0.320 0.000 1.153 90 P CA 1.428 64.379 63.100 -0.247 0.000 0.858 90 P CB 0.029 31.658 31.700 -0.118 0.000 0.789 91 E N -0.342 119.779 120.200 -0.132 0.000 2.338 91 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 91 E C 1.766 178.326 176.600 -0.066 0.000 1.007 91 E CA 1.180 57.518 56.400 -0.102 0.000 0.849 91 E CB -0.928 28.744 29.700 -0.047 0.000 0.774 91 E HN 0.103 nan 8.360 nan 0.000 0.506 92 A N -0.441 122.374 122.820 -0.008 0.000 1.975 92 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 92 A C 1.794 179.461 177.584 0.139 0.000 1.170 92 A CA 1.284 53.374 52.037 0.089 0.000 0.656 92 A CB -0.510 18.586 19.000 0.161 0.000 0.821 92 A HN 0.564 nan 8.150 nan 0.000 0.449 93 Y N -1.916 118.432 120.300 0.080 0.000 2.467 93 Y HA 0.454 5.004 4.550 -0.000 0.000 0.259 93 Y C 0.729 176.669 175.900 0.067 0.000 1.084 93 Y CA -0.619 57.545 58.100 0.108 0.000 1.275 93 Y CB -0.180 38.424 38.460 0.239 0.000 1.208 93 Y HN 0.159 nan 8.280 nan 0.000 0.511 94 Q N 2.156 121.574 119.800 -0.635 0.000 2.340 94 Q HA 0.158 4.498 4.340 -0.000 0.000 0.249 94 Q C -0.165 175.637 176.000 -0.331 0.000 0.957 94 Q CA -0.224 55.295 55.803 -0.473 0.000 0.882 94 Q CB 0.368 28.772 28.738 -0.555 0.000 1.235 94 Q HN 0.372 nan 8.270 nan 0.000 0.439 95 N N 1.871 120.279 118.700 -0.486 0.000 2.716 95 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 95 N C -1.151 174.147 175.510 -0.353 0.000 1.033 95 N CA 0.778 53.331 53.050 -0.828 0.000 0.727 95 N CB -1.077 37.135 38.487 -0.459 0.000 0.950 95 N HN 0.546 nan 8.380 nan 0.000 0.541 96 N N 0.075 118.672 118.700 -0.171 0.000 2.483 96 N HA 0.310 5.050 4.740 -0.000 0.000 0.267 96 N C -1.967 173.599 175.510 0.092 0.000 0.998 96 N CA -1.848 51.204 53.050 0.003 0.000 0.918 96 N CB 1.669 40.164 38.487 0.013 0.000 1.215 96 N HN -0.185 nan 8.380 nan 0.000 0.500 97 P HA -0.013 nan 4.420 nan 0.000 0.221 97 P C 0.409 177.745 177.300 0.060 0.000 1.145 97 P CA 1.111 64.278 63.100 0.112 0.000 0.795 97 P CB 0.323 32.074 31.700 0.085 0.000 0.775 98 R N -1.057 119.464 120.500 0.034 0.000 2.426 98 R HA 0.210 4.550 4.340 -0.000 0.000 0.263 98 R C -0.424 175.851 176.300 -0.042 0.000 0.961 98 R CA -0.002 56.093 56.100 -0.009 0.000 1.086 98 R CB 0.421 30.707 30.300 -0.023 0.000 1.186 98 R HN 0.062 nan 8.270 nan 0.000 0.537 99 V N 0.386 120.304 119.914 0.006 0.000 2.444 99 V HA 0.562 4.682 4.120 -0.000 0.000 0.294 99 V C 0.382 176.512 176.094 0.059 0.000 1.022 99 V CA -0.755 61.552 62.300 0.011 0.000 0.850 99 V CB 1.614 33.504 31.823 0.113 0.000 0.992 99 V HN 0.320 nan 8.190 nan 0.000 0.426 100 G N 3.237 112.039 108.800 0.004 0.000 3.140 100 G HA2 0.855 4.815 3.960 -0.000 0.000 0.271 100 G HA3 0.855 4.815 3.960 -0.000 0.000 0.271 100 G C -1.671 173.262 174.900 0.055 0.000 1.370 100 G CA -0.788 44.320 45.100 0.013 0.000 1.014 100 G HN 0.709 nan 8.290 nan 0.000 0.541 101 L N -0.297 120.909 121.223 -0.028 0.000 2.562 101 L HA 0.663 5.003 4.340 -0.000 0.000 0.266 101 L C -1.611 175.164 176.870 -0.159 0.000 0.949 101 L CA -0.657 54.174 54.840 -0.015 0.000 0.879 101 L CB 1.704 43.783 42.059 0.034 0.000 1.278 101 L HN 0.436 nan 8.230 nan 0.000 0.404 102 I N 5.208 125.693 120.570 -0.141 0.000 2.439 102 I HA 0.789 4.959 4.170 -0.000 0.000 0.283 102 I C -0.469 175.617 176.117 -0.053 0.000 1.023 102 I CA -0.354 60.846 61.300 -0.166 0.000 1.100 102 I CB 1.787 39.679 38.000 -0.179 0.000 1.238 102 I HN 0.690 nan 8.210 nan 0.000 0.445 103 A N 4.315 127.127 122.820 -0.012 0.000 2.566 103 A HA 0.940 5.260 4.320 -0.000 0.000 0.297 103 A C -0.713 176.898 177.584 0.044 0.000 1.059 103 A CA -0.387 51.657 52.037 0.012 0.000 0.691 103 A CB 1.831 20.831 19.000 -0.002 0.000 1.282 103 A HN 0.772 nan 8.150 nan 0.000 0.401 104 G N -0.243 108.588 108.800 0.051 0.000 2.827 104 G HA2 0.865 4.825 3.960 -0.000 0.000 0.296 104 G HA3 0.865 4.825 3.960 -0.000 0.000 0.296 104 G C -0.467 174.467 174.900 0.057 0.000 1.362 104 G CA 0.182 45.321 45.100 0.064 0.000 0.809 104 G HN 1.931 nan 8.290 nan 0.000 0.522 105 S N -2.256 113.481 115.700 0.061 0.000 2.661 105 S HA 0.678 5.148 4.470 -0.000 0.000 0.285 105 S C 0.941 175.576 174.600 0.059 0.000 1.138 105 S CA 0.242 58.477 58.200 0.058 0.000 0.855 105 S CB 1.467 64.704 63.200 0.061 0.000 1.136 105 S HN 1.473 nan 8.310 nan 0.000 0.484 106 G N -0.441 108.392 108.800 0.055 0.000 2.453 106 G HA2 0.384 4.344 3.960 -0.000 0.000 0.215 106 G HA3 0.384 4.344 3.960 -0.000 0.000 0.215 106 G C 0.783 175.726 174.900 0.072 0.000 1.147 106 G CA 0.311 45.445 45.100 0.058 0.000 0.802 106 G HN 1.346 nan 8.290 nan 0.000 0.535 107 G N -1.265 107.580 108.800 0.075 0.000 4.299 107 G HA2 0.492 4.452 3.960 -0.000 0.000 0.290 107 G HA3 0.492 4.452 3.960 -0.000 0.000 0.290 107 G C 0.953 175.893 174.900 0.067 0.000 1.019 107 G CA 0.825 45.969 45.100 0.073 0.000 0.790 107 G HN 1.069 nan 8.290 nan 0.000 0.452 108 G N 0.616 109.455 108.800 0.065 0.000 2.620 108 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.315 108 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.315 108 G C 0.470 175.413 174.900 0.072 0.000 1.179 108 G CA 0.924 46.062 45.100 0.064 0.000 0.971 108 G HN 1.643 nan 8.290 nan 0.000 0.544 109 S N 1.291 117.043 115.700 0.087 0.000 2.381 109 S HA 0.636 5.106 4.470 -0.000 0.000 0.193 109 S C -1.503 173.158 174.600 0.102 0.000 1.287 109 S CA 0.131 58.402 58.200 0.118 0.000 1.199 109 S CB 1.801 65.124 63.200 0.205 0.000 1.214 109 S HN 0.256 nan 8.310 nan 0.000 0.444 110 P HA -0.082 nan 4.420 nan 0.000 0.218 110 P C 1.519 178.780 177.300 -0.065 0.000 1.148 110 P CA 0.643 63.733 63.100 -0.017 0.000 0.822 110 P CB 0.131 31.799 31.700 -0.054 0.000 0.784 111 R N -0.879 119.565 120.500 -0.094 0.000 2.083 111 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 111 R C 1.839 178.018 176.300 -0.202 0.000 1.137 111 R CA 1.683 57.654 56.100 -0.215 0.000 0.951 111 R CB -0.887 29.245 30.300 -0.280 0.000 0.851 111 R HN 0.104 nan 8.270 nan 0.000 0.434 112 F N 0.714 120.676 119.950 0.020 0.000 2.456 112 F HA 0.028 4.555 4.527 -0.000 0.000 0.298 112 F C 2.409 178.302 175.800 0.154 0.000 1.104 112 F CA 0.831 58.892 58.000 0.100 0.000 1.435 112 F CB 0.068 39.087 39.000 0.032 0.000 1.078 112 F HN 0.122 nan 8.300 nan 0.000 0.546 113 Q N -0.372 119.551 119.800 0.206 0.000 2.083 113 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 113 Q C 2.367 178.421 176.000 0.090 0.000 0.969 113 Q CA 1.441 57.325 55.803 0.136 0.000 0.838 113 Q CB -0.258 28.528 28.738 0.080 0.000 0.900 113 Q HN 0.265 nan 8.270 nan 0.000 0.436 114 V N 0.617 120.558 119.914 0.045 0.000 2.453 114 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 114 V C 1.869 177.988 176.094 0.041 0.000 1.048 114 V CA 1.490 63.797 62.300 0.011 0.000 1.049 114 V CB -0.575 31.211 31.823 -0.062 0.000 0.672 114 V HN 0.325 nan 8.190 nan 0.000 0.457 115 F N 2.259 122.168 119.950 -0.067 0.000 2.069 115 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 115 F C 2.203 178.014 175.800 0.017 0.000 1.113 115 F CA 1.876 59.843 58.000 -0.054 0.000 1.214 115 F CB -0.950 37.970 39.000 -0.133 0.000 0.978 115 F HN 0.136 nan 8.300 nan 0.000 0.474 116 G N -0.188 108.610 108.800 -0.003 0.000 2.446 116 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 116 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 116 G C 1.807 176.617 174.900 -0.151 0.000 1.168 116 G CA 0.988 46.028 45.100 -0.100 0.000 0.771 116 G HN 0.662 nan 8.290 nan 0.000 0.551 117 A N 0.824 123.600 122.820 -0.074 0.000 1.930 117 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 117 A C 2.100 179.629 177.584 -0.091 0.000 1.175 117 A CA 2.107 54.108 52.037 -0.059 0.000 0.627 117 A CB -0.332 18.657 19.000 -0.018 0.000 0.815 117 A HN 0.284 nan 8.150 nan 0.000 0.443 118 D N 0.045 120.371 120.400 -0.124 0.000 2.117 118 D HA 0.014 4.654 4.640 -0.000 0.000 0.198 118 D C 2.245 178.437 176.300 -0.180 0.000 0.982 118 D CA 1.486 55.416 54.000 -0.117 0.000 0.828 118 D CB -0.426 40.322 40.800 -0.086 0.000 0.967 118 D HN 0.400 nan 8.370 nan 0.000 0.464 119 A N 0.641 123.255 122.820 -0.343 0.000 1.898 119 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 119 A C 2.126 179.598 177.584 -0.187 0.000 1.181 119 A CA 1.563 53.397 52.037 -0.339 0.000 0.620 119 A CB -0.545 18.087 19.000 -0.612 0.000 0.819 119 A HN 0.150 nan 8.150 nan 0.000 0.442 120 M N -0.007 119.496 119.600 -0.161 0.000 2.202 120 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 120 M C 1.755 178.016 176.300 -0.065 0.000 1.063 120 M CA 1.474 56.720 55.300 -0.091 0.000 1.097 120 M CB -0.438 32.121 32.600 -0.068 0.000 1.382 120 M HN 0.366 nan 8.290 nan 0.000 0.413 121 R N -0.309 120.151 120.500 -0.067 0.000 2.310 121 R HA 0.231 4.571 4.340 -0.000 0.000 0.202 121 R C 1.054 177.330 176.300 -0.040 0.000 0.933 121 R CA 0.261 56.335 56.100 -0.043 0.000 1.054 121 R CB -0.270 30.009 30.300 -0.034 0.000 0.985 121 R HN 0.448 nan 8.270 nan 0.000 0.489 122 G N 1.267 110.035 108.800 -0.053 0.000 2.543 122 G HA2 0.126 4.086 3.960 -0.000 0.000 0.290 122 G HA3 0.126 4.086 3.960 -0.000 0.000 0.290 122 G C -1.407 173.475 174.900 -0.030 0.000 1.310 122 G CA -0.969 44.106 45.100 -0.041 0.000 1.025 122 G HN -0.068 nan 8.290 nan 0.000 0.502 123 P HA -0.041 nan 4.420 nan 0.000 0.225 123 P C 1.162 178.453 177.300 -0.014 0.000 1.148 123 P CA 0.792 63.884 63.100 -0.014 0.000 0.779 123 P CB 0.365 32.060 31.700 -0.008 0.000 0.780 124 R N -1.051 119.438 120.500 -0.019 0.000 2.206 124 R HA 0.228 4.568 4.340 -0.000 0.000 0.198 124 R C 1.632 177.919 176.300 -0.023 0.000 0.986 124 R CA 0.629 56.719 56.100 -0.016 0.000 1.029 124 R CB -0.305 29.989 30.300 -0.010 0.000 0.966 124 R HN 0.186 nan 8.270 nan 0.000 0.487 125 G N 1.790 110.569 108.800 -0.035 0.000 2.583 125 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.292 125 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.292 125 G C 0.776 175.652 174.900 -0.040 0.000 1.203 125 G CA 0.290 45.367 45.100 -0.039 0.000 0.987 125 G HN 0.184 nan 8.290 nan 0.000 0.554 126 L N 0.578 121.783 121.223 -0.029 0.000 2.089 126 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 126 L C 2.995 179.854 176.870 -0.018 0.000 1.079 126 L CA 2.392 57.217 54.840 -0.024 0.000 0.758 126 L CB -0.529 41.519 42.059 -0.019 0.000 0.891 126 L HN 0.575 nan 8.230 nan 0.000 0.433 127 K N -0.085 120.307 120.400 -0.014 0.000 2.147 127 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 127 K C 2.178 178.786 176.600 0.013 0.000 1.049 127 K CA 1.272 57.557 56.287 -0.004 0.000 0.936 127 K CB -0.212 32.287 32.500 -0.002 0.000 0.722 127 K HN 0.321 nan 8.250 nan 0.000 0.446 128 A N 0.851 123.670 122.820 -0.002 0.000 1.970 128 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 128 A C 2.295 179.896 177.584 0.028 0.000 1.170 128 A CA 0.752 52.793 52.037 0.007 0.000 0.645 128 A CB -0.277 18.690 19.000 -0.055 0.000 0.816 128 A HN 0.038 nan 8.150 nan 0.000 0.447 129 V N -0.400 119.506 119.914 -0.014 0.000 2.307 129 V HA 0.193 4.313 4.120 -0.000 0.000 0.245 129 V C 1.612 177.829 176.094 0.205 0.000 1.045 129 V CA 1.176 63.503 62.300 0.046 0.000 1.024 129 V CB -1.907 29.918 31.823 0.003 0.000 0.651 129 V HN 1.223 nan 8.190 nan 0.000 0.449 130 G N 0.644 109.495 108.800 0.085 0.000 2.758 130 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 130 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 130 G C -1.833 173.018 174.900 -0.081 0.000 1.389 130 G CA -0.104 45.007 45.100 0.018 0.000 0.845 130 G HN 0.334 nan 8.290 nan 0.000 0.572 131 P HA 0.275 nan 4.420 nan 0.000 0.254 131 P C -0.113 176.897 177.300 -0.482 0.000 1.494 131 P CA 0.441 63.303 63.100 -0.395 0.000 0.961 131 P CB -0.069 31.340 31.700 -0.484 0.000 1.493 132 Y N -1.787 118.471 120.300 -0.069 0.000 2.527 132 Y HA 0.122 4.672 4.550 -0.000 0.000 0.247 132 Y C 2.141 177.984 175.900 -0.095 0.000 1.138 132 Y CA -0.220 57.790 58.100 -0.149 0.000 1.228 132 Y CB -0.171 38.097 38.460 -0.320 0.000 1.252 132 Y HN -0.267 nan 8.280 nan 0.000 0.531 133 V N -1.164 118.821 119.914 0.117 0.000 2.427 133 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 133 V C 2.067 178.218 176.094 0.094 0.000 1.051 133 V CA 1.591 63.970 62.300 0.132 0.000 1.048 133 V CB -0.704 31.267 31.823 0.246 0.000 0.666 133 V HN 0.213 nan 8.190 nan 0.000 0.456 134 V N 1.248 121.218 119.914 0.093 0.000 2.295 134 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 134 V C 2.813 178.955 176.094 0.079 0.000 1.049 134 V CA 2.622 64.973 62.300 0.084 0.000 1.024 134 V CB -1.413 30.457 31.823 0.079 0.000 0.648 134 V HN 0.804 nan 8.190 nan 0.000 0.447 135 T N -1.975 112.644 114.554 0.109 0.000 2.962 135 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 135 T C 1.691 176.406 174.700 0.025 0.000 1.088 135 T CA 1.272 63.432 62.100 0.100 0.000 1.127 135 T CB -0.237 68.761 68.868 0.216 0.000 0.883 135 T HN 0.495 nan 8.240 nan 0.000 0.493 136 K N 0.967 121.340 120.400 -0.046 0.000 2.128 136 K HA 0.370 4.690 4.320 -0.000 0.000 0.202 136 K C 2.682 179.264 176.600 -0.030 0.000 1.050 136 K CA 0.875 57.062 56.287 -0.167 0.000 0.966 136 K CB -0.136 32.030 32.500 -0.556 0.000 0.759 136 K HN 0.390 nan 8.250 nan 0.000 0.454 137 A N 2.001 124.847 122.820 0.044 0.000 2.030 137 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 137 A C 1.265 178.891 177.584 0.071 0.000 1.164 137 A CA 0.008 52.102 52.037 0.095 0.000 0.697 137 A CB -0.460 18.618 19.000 0.131 0.000 0.827 137 A HN 0.320 nan 8.150 nan 0.000 0.457 138 M N -1.592 118.043 119.600 0.059 0.000 2.252 138 M HA 0.439 4.919 4.480 -0.000 0.000 0.333 138 M C 0.952 177.284 176.300 0.053 0.000 1.111 138 M CA 0.455 55.787 55.300 0.054 0.000 1.140 138 M CB 0.409 33.040 32.600 0.051 0.000 1.538 138 M HN 0.062 nan 8.290 nan 0.000 0.448 139 A N 2.022 124.874 122.820 0.053 0.000 2.070 139 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 139 A C 2.063 179.683 177.584 0.059 0.000 1.159 139 A CA 1.848 53.918 52.037 0.055 0.000 0.656 139 A CB -0.901 18.131 19.000 0.053 0.000 0.800 139 A HN 1.013 nan 8.150 nan 0.000 0.453 140 S N -1.044 114.692 115.700 0.059 0.000 2.605 140 S HA 0.273 4.743 4.470 -0.000 0.000 0.217 140 S C 1.709 176.342 174.600 0.057 0.000 0.958 140 S CA 0.632 58.872 58.200 0.066 0.000 0.919 140 S CB -0.376 62.867 63.200 0.072 0.000 0.780 140 S HN 0.580 nan 8.310 nan 0.000 0.507 141 G N 2.363 111.192 108.800 0.048 0.000 2.513 141 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 141 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 141 G C 1.324 176.249 174.900 0.041 0.000 1.160 141 G CA 1.345 46.467 45.100 0.037 0.000 0.767 141 G HN 0.485 nan 8.290 nan 0.000 0.571 142 V N 1.706 121.648 119.914 0.048 0.000 2.332 142 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 142 V C 3.247 179.378 176.094 0.061 0.000 1.055 142 V CA 2.538 64.872 62.300 0.056 0.000 1.038 142 V CB -0.504 31.352 31.823 0.056 0.000 0.651 142 V HN 0.653 nan 8.190 nan 0.000 0.450 143 S N 0.544 116.277 115.700 0.056 0.000 2.406 143 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 143 S C 2.109 176.741 174.600 0.053 0.000 1.030 143 S CA 0.943 59.172 58.200 0.048 0.000 0.958 143 S CB -0.343 62.886 63.200 0.048 0.000 0.811 143 S HN 0.527 nan 8.310 nan 0.000 0.489 144 A N 0.914 123.763 122.820 0.049 0.000 1.902 144 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 144 A C 2.310 179.909 177.584 0.025 0.000 1.181 144 A CA 1.461 53.517 52.037 0.031 0.000 0.623 144 A CB -1.435 17.576 19.000 0.019 0.000 0.818 144 A HN 0.688 nan 8.150 nan 0.000 0.443 145 C N -1.123 118.203 119.300 0.042 0.000 2.491 145 C HA 0.189 4.649 4.460 -0.000 0.000 0.277 145 C C 2.182 177.270 174.990 0.163 0.000 1.455 145 C CA 0.576 59.627 59.018 0.055 0.000 1.758 145 C CB -1.286 26.481 27.740 0.045 0.000 1.745 145 C HN 0.525 nan 8.230 nan 0.000 0.558 146 L N 0.259 121.594 121.223 0.187 0.000 2.445 146 L HA 0.283 4.623 4.340 -0.000 0.000 0.207 146 L C 2.620 179.659 176.870 0.280 0.000 1.053 146 L CA 1.526 56.556 54.840 0.317 0.000 0.841 146 L CB -1.229 40.941 42.059 0.186 0.000 1.074 146 L HN 0.139 nan 8.230 nan 0.000 0.479 147 A N -0.674 122.232 122.820 0.143 0.000 1.908 147 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 147 A C 2.302 179.962 177.584 0.126 0.000 1.181 147 A CA 2.607 54.718 52.037 0.122 0.000 0.627 147 A CB -1.073 17.971 19.000 0.074 0.000 0.818 147 A HN 0.418 nan 8.150 nan 0.000 0.445 148 T N 0.395 114.993 114.554 0.074 0.000 2.643 148 T HA -0.078 4.272 4.350 -0.000 0.000 0.264 148 T C -0.007 174.703 174.700 0.016 0.000 1.045 148 T CA 1.701 63.815 62.100 0.023 0.000 1.155 148 T CB -1.125 67.706 68.868 -0.062 0.000 0.863 148 T HN 0.542 nan 8.240 nan 0.000 0.420 149 P HA -0.000 nan 4.420 nan 0.000 0.219 149 P C 0.846 178.047 177.300 -0.164 0.000 1.150 149 P CA 1.057 64.106 63.100 -0.086 0.000 0.814 149 P CB -0.262 31.400 31.700 -0.064 0.000 0.787 150 F N -0.275 119.694 119.950 0.032 0.000 2.804 150 F HA 0.176 4.703 4.527 0.000 0.000 0.303 150 F C 0.778 176.605 175.800 0.046 0.000 1.154 150 F CA 0.026 58.046 58.000 0.034 0.000 1.401 150 F CB -0.379 38.577 39.000 -0.074 0.000 1.106 150 F HN -0.233 nan 8.300 nan 0.000 0.568 151 K N 0.344 120.819 120.400 0.125 0.000 3.071 151 K HA -0.179 4.141 4.320 -0.000 0.000 0.265 151 K C -0.535 176.096 176.600 0.052 0.000 1.060 151 K CA 0.193 56.504 56.287 0.040 0.000 0.767 151 K CB -1.889 30.558 32.500 -0.089 0.000 1.241 151 K HN 0.099 nan 8.250 nan 0.000 0.486 152 I N 0.834 121.506 120.570 0.169 0.000 2.556 152 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 152 I C 1.726 178.011 176.117 0.280 0.000 1.114 152 I CA 0.603 62.019 61.300 0.193 0.000 1.418 152 I CB 0.550 38.655 38.000 0.175 0.000 1.394 152 I HN 0.318 nan 8.210 nan 0.000 0.552 153 H N 3.246 122.355 119.070 0.065 0.000 2.827 153 H HA 0.184 4.740 4.556 -0.000 0.000 0.269 153 H C 1.332 176.678 175.328 0.030 0.000 1.031 153 H CA 0.004 56.075 56.048 0.038 0.000 1.202 153 H CB 1.401 31.180 29.762 0.028 0.000 1.511 153 H HN 0.774 nan 8.280 nan 0.000 0.517 154 G N 1.064 109.951 108.800 0.145 0.000 2.783 154 G HA2 0.211 4.171 3.960 -0.000 0.000 0.182 154 G HA3 0.211 4.171 3.960 -0.000 0.000 0.182 154 G C 0.160 175.077 174.900 0.030 0.000 1.516 154 G CA 0.079 45.219 45.100 0.068 0.000 1.079 154 G HN 0.117 nan 8.290 nan 0.000 0.573 155 V N -0.661 119.241 119.914 -0.020 0.000 2.843 155 V HA 0.466 4.586 4.120 -0.000 0.000 0.305 155 V C -0.284 175.714 176.094 -0.160 0.000 1.065 155 V CA -0.348 61.901 62.300 -0.084 0.000 1.116 155 V CB 1.125 32.842 31.823 -0.176 0.000 0.968 155 V HN 0.722 nan 8.190 nan 0.000 0.487 156 N N 3.485 122.085 118.700 -0.166 0.000 2.599 156 N HA 0.539 5.279 4.740 -0.000 0.000 0.283 156 N C -1.170 174.332 175.510 -0.014 0.000 1.160 156 N CA -0.543 52.435 53.050 -0.120 0.000 0.869 156 N CB 1.192 39.684 38.487 0.008 0.000 1.448 156 N HN 1.026 nan 8.380 nan 0.000 0.535 157 Y N -1.126 119.193 120.300 0.032 0.000 2.814 157 Y HA 0.629 5.179 4.550 -0.000 0.000 0.348 157 Y C -1.377 174.539 175.900 0.028 0.000 1.245 157 Y CA -1.200 56.916 58.100 0.027 0.000 1.086 157 Y CB 0.319 38.792 38.460 0.021 0.000 1.373 157 Y HN 0.124 nan 8.280 nan 0.000 0.451 158 S N 1.206 117.102 115.700 0.326 0.000 2.532 158 S HA 0.740 5.210 4.470 -0.000 0.000 0.301 158 S C -0.939 173.797 174.600 0.226 0.000 1.083 158 S CA -0.763 57.564 58.200 0.212 0.000 1.025 158 S CB 1.360 64.636 63.200 0.126 0.000 1.056 158 S HN 0.519 nan 8.310 nan 0.000 0.494 159 I N 1.785 122.464 120.570 0.180 0.000 2.441 159 I HA 0.476 4.646 4.170 -0.000 0.000 0.295 159 I C -0.105 176.080 176.117 0.114 0.000 0.994 159 I CA -0.310 61.075 61.300 0.142 0.000 1.144 159 I CB 1.950 40.047 38.000 0.163 0.000 1.314 159 I HN 0.465 nan 8.210 nan 0.000 0.445 160 S N 3.323 119.077 115.700 0.089 0.000 2.561 160 S HA 0.606 5.076 4.470 -0.000 0.000 0.303 160 S C -0.325 174.333 174.600 0.097 0.000 1.110 160 S CA -0.428 57.826 58.200 0.090 0.000 1.034 160 S CB 1.020 64.263 63.200 0.072 0.000 1.010 160 S HN 0.682 nan 8.310 nan 0.000 0.482 161 S N 3.005 118.784 115.700 0.132 0.000 2.607 161 S HA 0.622 5.092 4.470 -0.000 0.000 0.196 161 S C 0.561 175.249 174.600 0.147 0.000 0.911 161 S CA 0.018 58.317 58.200 0.164 0.000 1.133 161 S CB -0.191 63.190 63.200 0.302 0.000 1.612 161 S HN 1.898 nan 8.310 nan 0.000 0.437 162 A N 0.677 123.557 122.820 0.099 0.000 5.391 162 A HA -0.324 3.996 4.320 -0.000 0.000 0.315 162 A C 1.605 179.192 177.584 0.004 0.000 1.874 162 A CA 1.157 53.221 52.037 0.045 0.000 0.714 162 A CB -2.081 16.948 19.000 0.049 0.000 1.335 162 A HN 1.434 nan 8.150 nan 0.000 0.382 163 C N 0.374 119.645 119.300 -0.050 0.000 2.511 163 C HA 0.413 4.873 4.460 -0.000 0.000 0.277 163 C C 2.541 177.535 174.990 0.007 0.000 1.451 163 C CA 0.976 59.974 59.018 -0.033 0.000 1.735 163 C CB -1.820 25.898 27.740 -0.038 0.000 1.704 163 C HN 1.286 nan 8.230 nan 0.000 0.571 164 A N -0.396 122.445 122.820 0.035 0.000 2.390 164 A HA 0.143 4.463 4.320 -0.000 0.000 0.232 164 A C 1.874 179.462 177.584 0.008 0.000 1.233 164 A CA 0.654 52.673 52.037 -0.029 0.000 0.907 164 A CB -0.511 18.481 19.000 -0.013 0.000 0.967 164 A HN 0.415 nan 8.150 nan 0.000 0.512 165 T N 1.503 116.108 114.554 0.085 0.000 2.531 165 T HA -0.266 4.084 4.350 -0.000 0.000 0.261 165 T C 2.259 177.003 174.700 0.074 0.000 1.141 165 T CA 2.769 64.936 62.100 0.113 0.000 1.176 165 T CB -0.500 68.413 68.868 0.075 0.000 0.863 165 T HN 0.819 nan 8.240 nan 0.000 0.424 166 S N 1.377 117.085 115.700 0.012 0.000 2.507 166 S HA 0.196 4.666 4.470 -0.000 0.000 0.235 166 S C 2.201 176.770 174.600 -0.052 0.000 0.988 166 S CA 0.773 58.963 58.200 -0.017 0.000 0.944 166 S CB -0.379 62.795 63.200 -0.042 0.000 0.762 166 S HN 0.554 nan 8.310 nan 0.000 0.526 167 A N 1.678 124.450 122.820 -0.080 0.000 1.898 167 A HA 0.046 4.366 4.320 -0.000 0.000 0.214 167 A C 1.915 179.447 177.584 -0.087 0.000 1.183 167 A CA 1.224 53.185 52.037 -0.127 0.000 0.622 167 A CB -0.985 17.896 19.000 -0.198 0.000 0.824 167 A HN 0.676 nan 8.150 nan 0.000 0.444 168 H N -1.665 117.437 119.070 0.053 0.000 2.457 168 H HA -0.107 4.449 4.556 -0.000 0.000 0.294 168 H C 2.149 177.471 175.328 -0.009 0.000 1.064 168 H CA 1.194 57.300 56.048 0.097 0.000 1.330 168 H CB -0.131 29.715 29.762 0.140 0.000 1.395 168 H HN 0.533 nan 8.280 nan 0.000 0.541 169 C N 0.223 119.578 119.300 0.092 0.000 2.432 169 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 169 C C 2.673 177.619 174.990 -0.073 0.000 1.249 169 C CA 0.795 59.830 59.018 0.027 0.000 1.725 169 C CB -0.783 26.966 27.740 0.015 0.000 2.028 169 C HN 0.535 nan 8.230 nan 0.000 0.477 170 I N 1.017 121.511 120.570 -0.126 0.000 2.179 170 I HA -0.111 4.059 4.170 -0.000 0.000 0.242 170 I C 2.736 178.652 176.117 -0.335 0.000 1.088 170 I CA 1.821 63.005 61.300 -0.193 0.000 1.357 170 I CB -0.973 36.920 38.000 -0.178 0.000 1.051 170 I HN 0.447 nan 8.210 nan 0.000 0.409 171 G N 0.693 109.141 108.800 -0.587 0.000 2.418 171 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 171 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 171 G C 1.469 175.922 174.900 -0.745 0.000 1.158 171 G CA 0.644 44.899 45.100 -1.409 0.000 0.771 171 G HN 0.333 nan 8.290 nan 0.000 0.545 172 N N 0.945 119.465 118.700 -0.300 0.000 2.244 172 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 172 N C 2.549 178.024 175.510 -0.059 0.000 1.016 172 N CA 0.981 54.005 53.050 -0.043 0.000 0.866 172 N CB -0.109 38.435 38.487 0.096 0.000 0.980 172 N HN 0.321 nan 8.380 nan 0.000 0.430 173 A N 0.801 123.548 122.820 -0.122 0.000 1.930 173 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 173 A C 2.484 179.996 177.584 -0.119 0.000 1.175 173 A CA 0.972 52.936 52.037 -0.122 0.000 0.627 173 A CB -0.609 18.302 19.000 -0.147 0.000 0.815 173 A HN 0.082 nan 8.150 nan 0.000 0.443 174 V N 0.202 120.026 119.914 -0.150 0.000 2.343 174 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 174 V C 2.382 178.448 176.094 -0.047 0.000 1.051 174 V CA 2.258 64.493 62.300 -0.108 0.000 1.036 174 V CB -0.862 30.884 31.823 -0.128 0.000 0.654 174 V HN 0.632 nan 8.190 nan 0.000 0.451 175 E N -0.452 119.734 120.200 -0.024 0.000 2.085 175 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 175 E C 2.392 179.004 176.600 0.020 0.000 0.994 175 E CA 1.192 57.614 56.400 0.036 0.000 0.801 175 E CB -0.154 29.597 29.700 0.085 0.000 0.743 175 E HN 0.551 nan 8.360 nan 0.000 0.453 176 Q N 0.172 119.973 119.800 0.001 0.000 2.124 176 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 176 Q C 2.256 178.242 176.000 -0.023 0.000 0.977 176 Q CA 0.900 56.700 55.803 -0.005 0.000 0.850 176 Q CB -0.110 28.613 28.738 -0.026 0.000 0.901 176 Q HN 0.348 nan 8.270 nan 0.000 0.429 177 I N 1.007 121.552 120.570 -0.042 0.000 2.202 177 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 177 I C 2.276 178.380 176.117 -0.021 0.000 1.091 177 I CA 1.275 62.547 61.300 -0.048 0.000 1.368 177 I CB -1.156 36.805 38.000 -0.064 0.000 1.058 177 I HN 0.296 nan 8.210 nan 0.000 0.410 178 Q N 0.358 120.154 119.800 -0.007 0.000 2.170 178 Q HA -0.135 4.205 4.340 -0.000 0.000 0.203 178 Q C 2.196 178.203 176.000 0.013 0.000 0.976 178 Q CA 1.139 56.947 55.803 0.009 0.000 0.858 178 Q CB -0.144 28.610 28.738 0.027 0.000 0.907 178 Q HN 0.484 nan 8.270 nan 0.000 0.433 179 L N -0.517 120.714 121.223 0.014 0.000 2.610 179 L HA 0.067 4.407 4.340 -0.000 0.000 0.232 179 L C 1.184 178.060 176.870 0.009 0.000 1.149 179 L CA 0.415 55.265 54.840 0.016 0.000 0.872 179 L CB -0.248 41.825 42.059 0.023 0.000 0.992 179 L HN 0.440 nan 8.230 nan 0.000 0.447 180 G N 0.283 109.084 108.800 0.001 0.000 2.155 180 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 180 G C 1.006 175.903 174.900 -0.005 0.000 0.983 180 G CA 0.656 45.754 45.100 -0.003 0.000 0.676 180 G HN 0.404 nan 8.290 nan 0.000 0.528 181 K N -0.828 119.569 120.400 -0.005 0.000 2.305 181 K HA 0.099 4.419 4.320 -0.000 0.000 0.199 181 K C 0.955 177.544 176.600 -0.019 0.000 1.047 181 K CA 0.805 57.090 56.287 -0.003 0.000 0.976 181 K CB 0.080 32.586 32.500 0.011 0.000 0.765 181 K HN 0.449 nan 8.250 nan 0.000 0.474 182 Q N -0.377 119.397 119.800 -0.043 0.000 2.416 182 Q HA 0.145 4.485 4.340 -0.000 0.000 0.281 182 Q C -0.568 175.358 176.000 -0.122 0.000 1.067 182 Q CA -0.375 55.382 55.803 -0.077 0.000 0.809 182 Q CB 1.995 30.679 28.738 -0.089 0.000 1.418 182 Q HN -0.050 nan 8.270 nan 0.000 0.411 183 D N 0.284 120.570 120.400 -0.191 0.000 2.324 183 D HA 0.274 4.914 4.640 -0.000 0.000 0.212 183 D C 0.262 176.330 176.300 -0.388 0.000 0.984 183 D CA 0.813 54.619 54.000 -0.323 0.000 0.885 183 D CB 1.353 41.826 40.800 -0.545 0.000 0.996 183 D HN 0.361 nan 8.370 nan 0.000 0.505 184 I N 0.729 121.092 120.570 -0.345 0.000 2.656 184 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 184 I C -1.249 174.644 176.117 -0.375 0.000 1.144 184 I CA -0.747 60.318 61.300 -0.391 0.000 1.038 184 I CB 3.347 41.074 38.000 -0.456 0.000 1.244 184 I HN -0.412 nan 8.210 nan 0.000 0.420 185 V N 5.916 125.580 119.914 -0.418 0.000 2.569 185 V HA 0.390 4.510 4.120 -0.000 0.000 0.301 185 V C -0.720 175.131 176.094 -0.405 0.000 1.044 185 V CA -0.591 61.510 62.300 -0.331 0.000 0.874 185 V CB 1.764 33.465 31.823 -0.204 0.000 1.002 185 V HN 0.381 nan 8.190 nan 0.000 0.424 186 F N 3.407 123.250 119.950 -0.179 0.000 2.438 186 F HA 0.685 5.212 4.527 0.000 0.000 0.356 186 F C 0.742 176.433 175.800 -0.182 0.000 1.099 186 F CA 0.026 57.901 58.000 -0.209 0.000 1.185 186 F CB 1.140 39.972 39.000 -0.280 0.000 1.115 186 F HN 0.577 nan 8.300 nan 0.000 0.526 187 A N 2.447 125.251 122.820 -0.026 0.000 2.414 187 A HA 0.941 5.261 4.320 -0.000 0.000 0.306 187 A C -0.056 177.492 177.584 -0.059 0.000 1.054 187 A CA 0.078 52.080 52.037 -0.058 0.000 0.724 187 A CB 1.515 20.456 19.000 -0.099 0.000 1.267 187 A HN 1.031 nan 8.150 nan 0.000 0.418 188 G N -0.337 108.433 108.800 -0.050 0.000 2.512 188 G HA2 0.736 4.696 3.960 -0.000 0.000 0.181 188 G HA3 0.736 4.696 3.960 -0.000 0.000 0.181 188 G C -0.130 174.754 174.900 -0.026 0.000 1.173 188 G CA 0.449 45.517 45.100 -0.053 0.000 0.988 188 G HN 2.350 nan 8.290 nan 0.000 0.485 189 G N -2.141 106.648 108.800 -0.017 0.000 2.342 189 G HA2 0.798 4.758 3.960 -0.000 0.000 0.297 189 G HA3 0.798 4.758 3.960 -0.000 0.000 0.297 189 G C -0.564 174.357 174.900 0.034 0.000 1.313 189 G CA 0.670 45.777 45.100 0.012 0.000 0.830 189 G HN 2.086 nan 8.290 nan 0.000 0.506 190 G N -1.275 107.563 108.800 0.062 0.000 2.677 190 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 190 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 190 G C -1.943 173.026 174.900 0.115 0.000 1.435 190 G CA -0.273 44.896 45.100 0.116 0.000 0.826 190 G HN 0.736 nan 8.290 nan 0.000 0.491 191 E N -0.302 120.005 120.200 0.178 0.000 2.321 191 E HA 0.368 4.718 4.350 -0.000 0.000 0.281 191 E C -0.266 176.463 176.600 0.215 0.000 0.910 191 E CA -0.675 55.807 56.400 0.138 0.000 0.770 191 E CB 1.535 31.279 29.700 0.074 0.000 1.225 191 E HN 0.709 nan 8.360 nan 0.000 0.417 192 E N 2.967 123.252 120.200 0.141 0.000 2.345 192 E HA 0.430 4.780 4.350 -0.000 0.000 0.259 192 E C -0.749 175.916 176.600 0.108 0.000 1.117 192 E CA -0.857 55.625 56.400 0.137 0.000 0.913 192 E CB 1.179 30.908 29.700 0.049 0.000 1.057 192 E HN 0.251 nan 8.360 nan 0.000 0.432 193 L N 2.229 123.492 121.223 0.067 0.000 2.343 193 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 193 L C -1.310 175.586 176.870 0.044 0.000 0.996 193 L CA -0.323 54.514 54.840 -0.006 0.000 0.831 193 L CB 0.823 42.737 42.059 -0.242 0.000 1.232 193 L HN 0.937 nan 8.230 nan 0.000 0.413 194 C N 2.010 121.401 119.300 0.151 0.000 3.285 194 C HA 0.456 4.916 4.460 -0.000 0.000 0.325 194 C C 1.054 176.160 174.990 0.193 0.000 1.304 194 C CA -0.912 58.207 59.018 0.168 0.000 1.319 194 C CB 0.720 28.428 27.740 -0.052 0.000 1.640 194 C HN 1.040 nan 8.230 nan 0.000 0.477 195 W N 0.762 122.186 121.300 0.206 0.000 2.402 195 W HA 0.047 4.707 4.660 -0.000 0.000 0.286 195 W C 1.043 177.633 176.519 0.119 0.000 1.221 195 W CA 1.726 59.156 57.345 0.141 0.000 1.257 195 W CB -1.031 28.472 29.460 0.072 0.000 1.120 195 W HN 0.872 nan 8.180 nan 0.000 0.551 196 E N 0.809 120.392 120.200 -1.029 0.000 2.130 196 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 196 E C 2.334 178.768 176.600 -0.276 0.000 0.998 196 E CA 2.689 58.500 56.400 -0.982 0.000 0.806 196 E CB -0.586 28.593 29.700 -0.867 0.000 0.738 196 E HN 0.359 nan 8.360 nan 0.000 0.459 197 M N -0.812 118.731 119.600 -0.095 0.000 2.429 197 M HA 0.126 4.606 4.480 -0.000 0.000 0.265 197 M C 2.098 178.547 176.300 0.248 0.000 1.120 197 M CA 1.073 56.420 55.300 0.078 0.000 1.173 197 M CB 0.126 32.805 32.600 0.132 0.000 1.343 197 M HN 0.162 nan 8.290 nan 0.000 0.464 198 A N 0.652 123.646 122.820 0.290 0.000 1.908 198 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 198 A C 2.348 180.131 177.584 0.330 0.000 1.181 198 A CA 1.897 54.158 52.037 0.375 0.000 0.627 198 A CB -1.778 17.415 19.000 0.321 0.000 0.818 198 A HN 0.872 nan 8.150 nan 0.000 0.445 199 C N -0.782 118.690 119.300 0.286 0.000 2.411 199 C HA -0.086 4.374 4.460 -0.000 0.000 0.279 199 C C 2.206 177.295 174.990 0.165 0.000 1.288 199 C CA 1.288 60.453 59.018 0.245 0.000 1.764 199 C CB -1.515 26.422 27.740 0.327 0.000 1.974 199 C HN 0.596 nan 8.230 nan 0.000 0.498 200 E N 0.629 120.893 120.200 0.106 0.000 2.110 200 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 200 E C 1.746 178.314 176.600 -0.053 0.000 0.988 200 E CA 1.431 57.816 56.400 -0.025 0.000 0.804 200 E CB -0.427 29.180 29.700 -0.156 0.000 0.745 200 E HN 0.784 nan 8.360 nan 0.000 0.458 201 F N 0.475 120.493 119.950 0.113 0.000 2.259 201 F HA -0.088 4.439 4.527 0.000 0.000 0.298 201 F C 2.121 177.939 175.800 0.031 0.000 1.088 201 F CA 1.054 59.116 58.000 0.104 0.000 1.358 201 F CB -0.125 38.921 39.000 0.077 0.000 1.040 201 F HN 0.011 nan 8.300 nan 0.000 0.505 202 D N 0.144 120.662 120.400 0.197 0.000 2.149 202 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 202 D C 2.221 178.570 176.300 0.081 0.000 0.972 202 D CA 1.111 55.172 54.000 0.102 0.000 0.835 202 D CB -0.154 40.703 40.800 0.095 0.000 0.966 202 D HN 0.159 nan 8.370 nan 0.000 0.476 203 A N 0.579 123.448 122.820 0.082 0.000 2.121 203 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 203 A C 2.112 179.724 177.584 0.046 0.000 1.154 203 A CA 1.440 53.510 52.037 0.055 0.000 0.679 203 A CB -0.694 18.334 19.000 0.046 0.000 0.795 203 A HN 0.501 nan 8.150 nan 0.000 0.458 204 M N -3.593 116.046 119.600 0.065 0.000 2.356 204 M HA 0.477 4.957 4.480 -0.000 0.000 0.262 204 M C 0.990 177.337 176.300 0.078 0.000 1.097 204 M CA 0.578 55.915 55.300 0.061 0.000 0.991 204 M CB 0.195 32.833 32.600 0.064 0.000 1.450 204 M HN 0.535 nan 8.290 nan 0.000 0.495 205 G N 1.043 109.887 108.800 0.073 0.000 2.160 205 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.251 205 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.251 205 G C 0.796 175.738 174.900 0.069 0.000 1.008 205 G CA 0.443 45.578 45.100 0.057 0.000 0.724 205 G HN 0.773 nan 8.290 nan 0.000 0.514 206 A N -0.975 121.906 122.820 0.100 0.000 2.072 206 A HA 0.609 4.929 4.320 -0.000 0.000 0.216 206 A C 1.328 178.767 177.584 -0.241 0.000 1.156 206 A CA 0.846 52.938 52.037 0.091 0.000 0.701 206 A CB 0.095 19.319 19.000 0.373 0.000 0.816 206 A HN 0.679 nan 8.150 nan 0.000 0.458 207 L N -0.110 120.949 121.223 -0.274 0.000 2.379 207 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 207 L C 0.750 177.539 176.870 -0.135 0.000 1.084 207 L CA -0.570 54.048 54.840 -0.370 0.000 0.802 207 L CB 1.475 43.366 42.059 -0.281 0.000 1.175 207 L HN 0.152 nan 8.230 nan 0.000 0.448 208 S N 0.081 115.732 115.700 -0.083 0.000 2.549 208 S HA 0.172 4.642 4.470 -0.000 0.000 0.283 208 S C 0.712 175.321 174.600 0.015 0.000 1.320 208 S CA 0.173 58.395 58.200 0.036 0.000 1.058 208 S CB 0.455 63.718 63.200 0.105 0.000 0.882 208 S HN 0.828 nan 8.310 nan 0.000 0.498 209 T N 1.220 115.784 114.554 0.017 0.000 3.130 209 T HA 0.345 4.695 4.350 -0.000 0.000 0.288 209 T C 0.729 175.371 174.700 -0.096 0.000 0.936 209 T CA -0.466 61.594 62.100 -0.066 0.000 0.897 209 T CB -0.088 68.727 68.868 -0.088 0.000 1.178 209 T HN 0.598 nan 8.240 nan 0.000 0.543 210 K N 0.298 120.641 120.400 -0.096 0.000 2.374 210 K HA 0.263 4.583 4.320 -0.000 0.000 0.196 210 K C -0.377 175.904 176.600 -0.532 0.000 1.023 210 K CA 0.169 56.263 56.287 -0.323 0.000 1.103 210 K CB 0.233 32.474 32.500 -0.432 0.000 0.848 210 K HN 0.450 nan 8.250 nan 0.000 0.528 211 Y N -0.264 120.033 120.300 -0.004 0.000 2.716 211 Y HA 0.217 4.767 4.550 0.000 0.000 0.260 211 Y C 0.744 176.664 175.900 0.035 0.000 1.141 211 Y CA -0.585 57.525 58.100 0.015 0.000 1.168 211 Y CB -0.160 38.316 38.460 0.026 0.000 1.189 211 Y HN 0.073 nan 8.280 nan 0.000 0.549 212 N N 0.591 119.354 118.700 0.105 0.000 2.272 212 N HA -0.185 4.555 4.740 -0.000 0.000 0.185 212 N C 0.781 176.401 175.510 0.183 0.000 1.014 212 N CA 1.348 54.493 53.050 0.160 0.000 0.870 212 N CB 0.083 38.635 38.487 0.109 0.000 0.975 212 N HN 0.353 nan 8.380 nan 0.000 0.433 213 D N -0.243 120.217 120.400 0.100 0.000 2.317 213 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 213 D C 0.657 177.000 176.300 0.072 0.000 0.966 213 D CA 0.999 55.030 54.000 0.052 0.000 0.876 213 D CB 0.096 40.905 40.800 0.014 0.000 0.927 213 D HN 0.321 nan 8.370 nan 0.000 0.519 214 T N -2.001 112.628 114.554 0.125 0.000 3.410 214 T HA 0.337 4.687 4.350 -0.000 0.000 0.328 214 T C -2.334 172.452 174.700 0.143 0.000 1.567 214 T CA -1.705 60.468 62.100 0.123 0.000 1.626 214 T CB 1.866 70.814 68.868 0.134 0.000 0.939 214 T HN -0.297 nan 8.240 nan 0.000 0.656 215 P HA -0.173 nan 4.420 nan 0.000 0.216 215 P C 1.332 178.694 177.300 0.103 0.000 1.157 215 P CA 1.366 64.558 63.100 0.152 0.000 0.880 215 P CB 0.118 31.929 31.700 0.184 0.000 0.791 216 E N -0.848 119.399 120.200 0.079 0.000 2.472 216 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 216 E C 1.240 177.843 176.600 0.005 0.000 1.046 216 E CA 0.710 57.137 56.400 0.044 0.000 0.871 216 E CB -0.245 29.478 29.700 0.038 0.000 0.806 216 E HN 0.392 nan 8.360 nan 0.000 0.533 217 K N -0.517 119.878 120.400 -0.008 0.000 2.374 217 K HA 0.221 4.541 4.320 -0.000 0.000 0.202 217 K C 1.649 178.081 176.600 -0.279 0.000 1.040 217 K CA 0.218 56.443 56.287 -0.103 0.000 1.085 217 K CB 0.810 33.272 32.500 -0.064 0.000 0.873 217 K HN -0.029 nan 8.250 nan 0.000 0.539 218 A N 1.151 123.888 122.820 -0.138 0.000 1.902 218 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 218 A C 1.361 178.852 177.584 -0.155 0.000 1.181 218 A CA 1.172 53.125 52.037 -0.141 0.000 0.623 218 A CB -0.104 18.947 19.000 0.086 0.000 0.818 218 A HN 0.155 nan 8.150 nan 0.000 0.443 219 S N 0.612 116.267 115.700 -0.075 0.000 2.416 219 S HA 0.420 4.890 4.470 -0.000 0.000 0.287 219 S C 0.272 174.815 174.600 -0.095 0.000 1.139 219 S CA -0.654 57.519 58.200 -0.044 0.000 1.058 219 S CB -0.137 63.066 63.200 0.004 0.000 0.967 219 S HN 0.491 nan 8.310 nan 0.000 0.495 220 R N 2.836 123.272 120.500 -0.107 0.000 2.638 220 R HA 0.205 4.545 4.340 -0.000 0.000 0.261 220 R C -0.759 175.487 176.300 -0.089 0.000 1.515 220 R CA -0.638 55.400 56.100 -0.104 0.000 1.623 220 R CB -0.821 29.388 30.300 -0.151 0.000 1.347 220 R HN 0.415 nan 8.270 nan 0.000 0.705 221 T N 2.192 116.653 114.554 -0.155 0.000 2.891 221 T HA -0.075 4.275 4.350 -0.000 0.000 0.296 221 T C -0.071 174.448 174.700 -0.302 0.000 1.025 221 T CA 0.938 62.828 62.100 -0.351 0.000 1.149 221 T CB -0.118 68.409 68.868 -0.568 0.000 1.007 221 T HN 0.552 nan 8.240 nan 0.000 0.528 222 Y N -1.200 119.118 120.300 0.030 0.000 4.936 222 Y HA -0.200 4.350 4.550 0.000 0.000 0.266 222 Y C 0.675 176.592 175.900 0.028 0.000 0.909 222 Y CA 0.404 58.521 58.100 0.028 0.000 1.828 222 Y CB -2.239 36.234 38.460 0.023 0.000 1.283 222 Y HN 0.770 nan 8.280 nan 0.000 0.511 223 D N 0.523 121.000 120.400 0.128 0.000 2.350 223 D HA 0.579 5.219 4.640 -0.000 0.000 0.249 223 D C 1.274 177.630 176.300 0.093 0.000 1.119 223 D CA 0.760 54.827 54.000 0.111 0.000 0.886 223 D CB 1.320 42.168 40.800 0.080 0.000 1.195 223 D HN 0.262 nan 8.370 nan 0.000 0.437 224 A N 3.276 126.141 122.820 0.076 0.000 2.076 224 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 224 A C 1.091 178.546 177.584 -0.215 0.000 1.160 224 A CA 1.437 53.435 52.037 -0.065 0.000 0.653 224 A CB -0.571 18.361 19.000 -0.114 0.000 0.801 224 A HN 0.774 nan 8.150 nan 0.000 0.455 225 H N -0.471 118.656 119.070 0.095 0.000 2.488 225 H HA 0.208 4.764 4.556 -0.000 0.000 0.294 225 H C 0.453 175.883 175.328 0.171 0.000 1.088 225 H CA -0.290 55.842 56.048 0.140 0.000 1.086 225 H CB 0.009 29.883 29.762 0.187 0.000 1.569 225 H HN 0.611 nan 8.280 nan 0.000 0.548 226 R N 1.145 121.738 120.500 0.155 0.000 2.643 226 R HA 0.071 4.411 4.340 -0.000 0.000 0.270 226 R C -0.403 175.993 176.300 0.161 0.000 1.061 226 R CA 0.180 56.352 56.100 0.120 0.000 1.107 226 R CB 0.536 30.870 30.300 0.057 0.000 0.999 226 R HN 0.224 nan 8.270 nan 0.000 0.460 227 D N 0.277 120.785 120.400 0.179 0.000 2.712 227 D HA 0.221 4.861 4.640 -0.000 0.000 0.300 227 D C 0.007 176.375 176.300 0.112 0.000 1.521 227 D CA -0.002 54.092 54.000 0.156 0.000 0.790 227 D CB 0.502 41.417 40.800 0.192 0.000 1.155 227 D HN 0.891 nan 8.370 nan 0.000 0.456 228 G N 0.413 109.277 108.800 0.108 0.000 2.362 228 G HA2 0.267 4.227 3.960 -0.000 0.000 0.656 228 G HA3 0.267 4.227 3.960 -0.000 0.000 0.656 228 G C -0.707 174.256 174.900 0.107 0.000 1.376 228 G CA -0.706 44.442 45.100 0.080 0.000 0.971 228 G HN 0.274 nan 8.290 nan 0.000 0.636 229 F N -0.390 119.604 119.950 0.074 0.000 2.370 229 F HA 0.827 5.354 4.527 0.000 0.000 0.319 229 F C 0.183 176.012 175.800 0.048 0.000 1.129 229 F CA -1.485 56.547 58.000 0.054 0.000 1.109 229 F CB 1.261 40.309 39.000 0.079 0.000 1.262 229 F HN 0.389 nan 8.300 nan 0.000 0.534 230 V N 4.147 124.268 119.914 0.346 0.000 2.347 230 V HA 0.265 4.385 4.120 -0.000 0.000 0.280 230 V C 0.240 176.556 176.094 0.370 0.000 1.021 230 V CA -0.878 61.557 62.300 0.225 0.000 0.847 230 V CB 1.085 33.010 31.823 0.170 0.000 0.990 230 V HN 0.863 nan 8.190 nan 0.000 0.444 231 I N 4.621 125.364 120.570 0.289 0.000 2.754 231 I HA 0.513 4.683 4.170 -0.000 0.000 0.285 231 I C 0.485 176.732 176.117 0.216 0.000 1.166 231 I CA 0.518 61.994 61.300 0.293 0.000 1.417 231 I CB 0.883 39.002 38.000 0.199 0.000 1.382 231 I HN 0.807 nan 8.210 nan 0.000 0.588 232 A N 4.800 127.691 122.820 0.118 0.000 2.593 232 A HA 0.877 5.197 4.320 -0.000 0.000 0.290 232 A C -0.651 176.917 177.584 -0.028 0.000 1.126 232 A CA -0.113 51.941 52.037 0.028 0.000 0.695 232 A CB 1.317 20.337 19.000 0.033 0.000 1.290 232 A HN 0.835 nan 8.150 nan 0.000 0.414 233 G N -1.812 106.922 108.800 -0.109 0.000 2.730 233 G HA2 0.936 4.896 3.960 -0.000 0.000 0.289 233 G HA3 0.936 4.896 3.960 -0.000 0.000 0.289 233 G C -0.069 174.689 174.900 -0.236 0.000 1.341 233 G CA -0.250 44.793 45.100 -0.094 0.000 0.932 233 G HN 2.294 nan 8.290 nan 0.000 0.481 234 G N -2.157 106.467 108.800 -0.293 0.000 2.340 234 G HA2 0.620 4.580 3.960 -0.000 0.000 0.282 234 G HA3 0.620 4.580 3.960 -0.000 0.000 0.282 234 G C -0.378 174.447 174.900 -0.125 0.000 1.312 234 G CA 0.214 45.010 45.100 -0.507 0.000 0.942 234 G HN 1.950 nan 8.290 nan 0.000 0.495 235 G N -1.893 106.849 108.800 -0.096 0.000 2.682 235 G HA2 1.025 4.985 3.960 -0.000 0.000 0.290 235 G HA3 1.025 4.985 3.960 -0.000 0.000 0.290 235 G C -0.372 174.504 174.900 -0.040 0.000 1.425 235 G CA 0.294 45.406 45.100 0.021 0.000 0.807 235 G HN 2.093 nan 8.290 nan 0.000 0.482 236 G N -0.708 108.067 108.800 -0.043 0.000 2.703 236 G HA2 0.621 4.581 3.960 -0.000 0.000 0.294 236 G HA3 0.621 4.581 3.960 -0.000 0.000 0.294 236 G C -1.383 173.468 174.900 -0.081 0.000 1.451 236 G CA -0.596 44.451 45.100 -0.088 0.000 0.869 236 G HN 0.572 nan 8.290 nan 0.000 0.516 237 M N 0.690 120.232 119.600 -0.096 0.000 2.413 237 M HA 0.532 5.012 4.480 -0.000 0.000 0.287 237 M C -0.442 175.803 176.300 -0.093 0.000 1.186 237 M CA -0.823 54.424 55.300 -0.088 0.000 0.927 237 M CB 1.486 34.025 32.600 -0.102 0.000 1.715 237 M HN 1.024 nan 8.290 nan 0.000 0.478 238 V N 0.131 119.995 119.914 -0.084 0.000 3.040 238 V HA 0.881 5.001 4.120 -0.000 0.000 0.312 238 V C -0.786 175.256 176.094 -0.086 0.000 1.115 238 V CA -0.881 61.361 62.300 -0.098 0.000 0.998 238 V CB 2.112 33.854 31.823 -0.135 0.000 1.042 238 V HN 0.544 nan 8.190 nan 0.000 0.433 239 V N 3.185 123.036 119.914 -0.105 0.000 2.333 239 V HA 0.384 4.504 4.120 -0.000 0.000 0.274 239 V C 0.098 176.066 176.094 -0.210 0.000 1.028 239 V CA -0.390 61.776 62.300 -0.223 0.000 0.851 239 V CB 1.139 32.843 31.823 -0.198 0.000 1.000 239 V HN 0.731 nan 8.190 nan 0.000 0.456 240 V N 5.196 124.956 119.914 -0.256 0.000 2.406 240 V HA 0.441 4.561 4.120 -0.000 0.000 0.272 240 V C 0.103 176.062 176.094 -0.226 0.000 1.043 240 V CA -0.231 61.950 62.300 -0.198 0.000 0.915 240 V CB 1.263 32.977 31.823 -0.182 0.000 0.988 240 V HN 0.971 nan 8.190 nan 0.000 0.466 241 E N 2.995 123.098 120.200 -0.163 0.000 2.317 241 E HA 0.336 4.686 4.350 -0.000 0.000 0.270 241 E C -0.718 175.824 176.600 -0.096 0.000 0.885 241 E CA -0.750 55.556 56.400 -0.156 0.000 0.760 241 E CB 1.770 31.401 29.700 -0.116 0.000 1.227 241 E HN 0.681 nan 8.360 nan 0.000 0.434 242 E N 3.751 123.894 120.200 -0.094 0.000 2.384 242 E HA -0.037 4.313 4.350 -0.000 0.000 0.266 242 E C 0.809 177.415 176.600 0.010 0.000 1.012 242 E CA -0.087 56.290 56.400 -0.039 0.000 0.901 242 E CB 1.102 30.781 29.700 -0.034 0.000 0.967 242 E HN 0.645 nan 8.360 nan 0.000 0.435 243 L N 5.743 126.966 121.223 0.001 0.000 1.990 243 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 243 L C 1.908 178.789 176.870 0.017 0.000 1.072 243 L CA 1.980 56.821 54.840 0.002 0.000 0.755 243 L CB -0.366 41.689 42.059 -0.007 0.000 0.889 243 L HN 0.560 nan 8.230 nan 0.000 0.432 244 E N -1.105 119.111 120.200 0.026 0.000 2.077 244 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 244 E C 2.212 178.833 176.600 0.034 0.000 0.989 244 E CA 1.391 57.804 56.400 0.022 0.000 0.800 244 E CB -0.686 29.027 29.700 0.022 0.000 0.746 244 E HN 0.690 nan 8.360 nan 0.000 0.452 245 H N 0.609 119.662 119.070 -0.029 0.000 2.353 245 H HA -0.017 4.539 4.556 -0.000 0.000 0.300 245 H C 1.862 177.171 175.328 -0.031 0.000 1.090 245 H CA 1.657 57.688 56.048 -0.029 0.000 1.327 245 H CB 0.219 29.960 29.762 -0.035 0.000 1.383 245 H HN 0.127 nan 8.280 nan 0.000 0.508 246 A N 1.079 123.962 122.820 0.105 0.000 1.898 246 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 246 A C 2.860 180.434 177.584 -0.017 0.000 1.181 246 A CA 1.085 53.147 52.037 0.042 0.000 0.620 246 A CB -0.813 18.197 19.000 0.017 0.000 0.819 246 A HN 0.398 nan 8.150 nan 0.000 0.442 247 L N -0.727 120.482 121.223 -0.022 0.000 2.046 247 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 247 L C 3.083 179.925 176.870 -0.047 0.000 1.077 247 L CA 1.017 55.837 54.840 -0.033 0.000 0.747 247 L CB -0.573 41.469 42.059 -0.027 0.000 0.896 247 L HN 0.438 nan 8.230 nan 0.000 0.432 248 A N 1.048 123.826 122.820 -0.070 0.000 1.933 248 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 248 A C 2.236 179.763 177.584 -0.096 0.000 1.175 248 A CA 1.754 53.737 52.037 -0.090 0.000 0.628 248 A CB -0.517 18.406 19.000 -0.129 0.000 0.814 248 A HN 0.575 nan 8.150 nan 0.000 0.444 249 R N -1.002 119.431 120.500 -0.111 0.000 2.334 249 R HA 0.333 4.673 4.340 -0.000 0.000 0.220 249 R C 0.917 177.193 176.300 -0.040 0.000 0.917 249 R CA 0.612 56.663 56.100 -0.082 0.000 1.073 249 R CB -0.711 29.532 30.300 -0.095 0.000 1.056 249 R HN 0.735 nan 8.270 nan 0.000 0.506 250 G N 0.850 109.629 108.800 -0.036 0.000 2.273 250 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.280 250 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.280 250 G C 0.265 175.161 174.900 -0.006 0.000 1.047 250 G CA 0.218 45.306 45.100 -0.020 0.000 0.869 250 G HN 0.717 nan 8.290 nan 0.000 0.502 251 A N -0.331 122.485 122.820 -0.008 0.000 2.386 251 A HA 0.594 4.914 4.320 -0.000 0.000 0.248 251 A C 0.405 177.990 177.584 0.001 0.000 1.082 251 A CA 0.286 52.328 52.037 0.009 0.000 0.789 251 A CB 0.320 19.325 19.000 0.008 0.000 1.025 251 A HN 1.415 nan 8.150 nan 0.000 0.490 252 H N 1.168 120.187 119.070 -0.084 0.000 2.742 252 H HA 0.509 5.065 4.556 -0.000 0.000 0.302 252 H C -0.695 174.519 175.328 -0.189 0.000 1.069 252 H CA -0.278 55.675 56.048 -0.158 0.000 1.446 252 H CB 0.072 29.706 29.762 -0.213 0.000 1.462 252 H HN 0.427 nan 8.280 nan 0.000 0.499 253 I N 6.923 127.080 120.570 -0.689 0.000 2.339 253 I HA 0.035 4.205 4.170 -0.000 0.000 0.290 253 I C 0.030 175.747 176.117 -0.668 0.000 0.994 253 I CA -0.516 60.479 61.300 -0.508 0.000 1.191 253 I CB 1.026 38.885 38.000 -0.235 0.000 1.343 253 I HN 0.745 nan 8.210 nan 0.000 0.458 254 Y N 5.007 125.077 120.300 -0.384 0.000 2.206 254 Y HA 0.260 4.810 4.550 -0.000 0.000 0.292 254 Y C 1.237 177.052 175.900 -0.143 0.000 1.123 254 Y CA 0.945 58.907 58.100 -0.229 0.000 1.142 254 Y CB 0.166 38.563 38.460 -0.105 0.000 1.006 254 Y HN 0.681 nan 8.280 nan 0.000 0.518 255 A N -0.739 122.109 122.820 0.047 0.000 2.544 255 A HA 0.411 4.731 4.320 -0.000 0.000 0.291 255 A C -1.509 176.071 177.584 -0.007 0.000 1.055 255 A CA -0.830 51.213 52.037 0.009 0.000 0.651 255 A CB 0.627 19.644 19.000 0.029 0.000 1.296 255 A HN 0.079 nan 8.150 nan 0.000 0.431 256 E N 0.319 120.513 120.200 -0.011 0.000 2.204 256 E HA 0.622 4.972 4.350 -0.000 0.000 0.276 256 E C -1.185 175.411 176.600 -0.008 0.000 0.974 256 E CA -0.612 55.779 56.400 -0.014 0.000 0.815 256 E CB 0.961 30.653 29.700 -0.013 0.000 1.119 256 E HN 0.480 nan 8.360 nan 0.000 0.393 257 I N 5.723 126.285 120.570 -0.014 0.000 2.294 257 I HA 0.031 4.200 4.170 -0.000 0.000 0.295 257 I C 1.042 177.167 176.117 0.014 0.000 1.098 257 I CA -0.291 61.006 61.300 -0.006 0.000 1.277 257 I CB 0.896 38.878 38.000 -0.029 0.000 1.434 257 I HN 0.521 nan 8.210 nan 0.000 0.498 258 V N 2.677 122.605 119.914 0.025 0.000 3.650 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.271 258 V C 0.745 176.872 176.094 0.055 0.000 1.281 258 V CA 0.258 62.577 62.300 0.032 0.000 1.120 258 V CB -0.140 31.697 31.823 0.022 0.000 0.856 258 V HN 0.678 nan 8.190 nan 0.000 0.443 259 G N -0.405 108.440 108.800 0.075 0.000 2.753 259 G HA2 0.538 4.498 3.960 -0.000 0.000 0.297 259 G HA3 0.538 4.498 3.960 -0.000 0.000 0.297 259 G C -2.259 172.745 174.900 0.174 0.000 1.430 259 G CA -0.556 44.608 45.100 0.106 0.000 1.040 259 G HN 0.321 nan 8.290 nan 0.000 0.530 260 Y N 1.559 121.876 120.300 0.028 0.000 2.332 260 Y HA 0.689 5.239 4.550 -0.000 0.000 0.325 260 Y C -0.123 175.802 175.900 0.041 0.000 1.054 260 Y CA -1.283 56.833 58.100 0.026 0.000 1.119 260 Y CB 1.766 40.242 38.460 0.027 0.000 1.168 260 Y HN 0.806 nan 8.280 nan 0.000 0.439 261 G N 3.134 111.808 108.800 -0.210 0.000 2.416 261 G HA2 0.757 4.717 3.960 -0.000 0.000 0.329 261 G HA3 0.757 4.717 3.960 -0.000 0.000 0.329 261 G C -1.695 172.977 174.900 -0.380 0.000 1.173 261 G CA -0.633 44.282 45.100 -0.308 0.000 0.929 261 G HN 1.131 nan 8.290 nan 0.000 0.475 262 A N 1.418 124.046 122.820 -0.319 0.000 2.442 262 A HA 0.863 5.183 4.320 -0.000 0.000 0.284 262 A C -0.042 177.535 177.584 -0.012 0.000 1.058 262 A CA -0.056 51.944 52.037 -0.062 0.000 0.738 262 A CB 1.318 20.281 19.000 -0.062 0.000 1.242 262 A HN 1.595 nan 8.150 nan 0.000 0.421 263 T N -1.433 113.163 114.554 0.070 0.000 2.778 263 T HA 0.861 5.211 4.350 -0.000 0.000 0.293 263 T C -0.324 174.413 174.700 0.062 0.000 1.144 263 T CA -0.412 61.708 62.100 0.033 0.000 1.010 263 T CB 1.689 70.560 68.868 0.005 0.000 1.325 263 T HN 1.452 nan 8.240 nan 0.000 0.515 264 S N -1.011 114.705 115.700 0.028 0.000 2.536 264 S HA 0.475 4.945 4.470 -0.000 0.000 0.287 264 S C -0.272 174.333 174.600 0.009 0.000 1.101 264 S CA -0.609 57.609 58.200 0.031 0.000 0.950 264 S CB 1.636 64.848 63.200 0.019 0.000 1.056 264 S HN 0.691 nan 8.310 nan 0.000 0.481 265 D N 2.690 123.096 120.400 0.010 0.000 2.137 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 265 D C 1.455 177.751 176.300 -0.006 0.000 0.970 265 D CA 1.437 55.431 54.000 -0.010 0.000 0.837 265 D CB -0.503 40.291 40.800 -0.011 0.000 0.981 265 D HN 1.048 nan 8.370 nan 0.000 0.475 266 G N 0.291 109.094 108.800 0.004 0.000 2.323 266 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.292 266 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.292 266 G C 0.646 175.544 174.900 -0.003 0.000 1.040 266 G CA 0.896 45.997 45.100 0.001 0.000 0.942 266 G HN 0.613 nan 8.290 nan 0.000 0.506 267 A N -0.880 121.939 122.820 -0.002 0.000 1.795 267 A HA 0.687 5.006 4.320 -0.000 0.000 0.182 267 A C 0.436 178.017 177.584 -0.006 0.000 2.073 267 A CA 1.088 53.121 52.037 -0.006 0.000 1.402 267 A CB 0.316 19.310 19.000 -0.011 0.000 0.977 267 A HN 0.524 nan 8.150 nan 0.000 0.648 268 D N -1.228 119.168 120.400 -0.006 0.000 2.198 268 D HA 0.488 5.128 4.640 -0.000 0.000 0.247 268 D C 1.081 177.371 176.300 -0.016 0.000 1.010 268 D CA -0.508 53.483 54.000 -0.015 0.000 0.880 268 D CB 0.879 41.668 40.800 -0.019 0.000 1.209 268 D HN 0.115 nan 8.370 nan 0.000 0.451 269 M N 2.142 121.717 119.600 -0.041 0.000 2.254 269 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 269 M C 1.387 177.602 176.300 -0.142 0.000 1.066 269 M CA 1.099 56.365 55.300 -0.055 0.000 1.123 269 M CB -0.282 32.277 32.600 -0.068 0.000 1.388 269 M HN 0.523 nan 8.290 nan 0.000 0.425 270 V N -4.354 115.419 119.914 -0.236 0.000 3.451 270 V HA 0.567 4.687 4.120 -0.000 0.000 0.288 270 V C 0.552 176.543 176.094 -0.171 0.000 1.502 270 V CA -0.105 61.880 62.300 -0.523 0.000 1.026 270 V CB -0.439 30.892 31.823 -0.819 0.000 0.840 270 V HN 0.119 nan 8.190 nan 0.000 0.437 271 A N 1.349 124.143 122.820 -0.043 0.000 2.342 271 A HA 0.946 5.266 4.320 -0.000 0.000 0.323 271 A C -2.951 174.662 177.584 0.049 0.000 1.125 271 A CA -1.822 50.237 52.037 0.037 0.000 0.785 271 A CB 0.963 19.972 19.000 0.015 0.000 1.221 271 A HN 0.277 nan 8.150 nan 0.000 0.463 272 P HA 0.163 nan 4.420 nan 0.000 0.275 272 P C 0.817 178.100 177.300 -0.028 0.000 1.228 272 P CA -0.018 63.084 63.100 0.004 0.000 0.786 272 P CB 1.200 32.889 31.700 -0.018 0.000 0.927 273 S N 1.193 116.858 115.700 -0.058 0.000 2.486 273 S HA 0.187 4.657 4.470 -0.000 0.000 0.220 273 S C 1.658 176.217 174.600 -0.068 0.000 1.011 273 S CA 0.758 58.928 58.200 -0.050 0.000 0.921 273 S CB -0.858 62.315 63.200 -0.044 0.000 0.785 273 S HN 0.675 nan 8.310 nan 0.000 0.517 274 G N 1.908 110.635 108.800 -0.122 0.000 2.498 274 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.229 274 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.229 274 G C 0.942 175.772 174.900 -0.116 0.000 1.156 274 G CA 0.562 45.587 45.100 -0.125 0.000 0.680 274 G HN 0.463 nan 8.290 nan 0.000 0.512 275 E N 1.803 121.954 120.200 -0.083 0.000 2.077 275 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 275 E C 2.636 179.189 176.600 -0.079 0.000 0.989 275 E CA 2.287 58.647 56.400 -0.066 0.000 0.800 275 E CB -0.973 28.698 29.700 -0.048 0.000 0.746 275 E HN 0.648 nan 8.360 nan 0.000 0.452 276 G N 0.696 109.438 108.800 -0.096 0.000 2.402 276 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 276 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 276 G C 1.734 176.565 174.900 -0.115 0.000 1.162 276 G CA 1.252 46.298 45.100 -0.090 0.000 0.777 276 G HN 0.422 nan 8.290 nan 0.000 0.539 277 A N 0.112 122.794 122.820 -0.231 0.000 1.969 277 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 277 A C 2.580 180.128 177.584 -0.060 0.000 1.169 277 A CA 1.649 53.532 52.037 -0.257 0.000 0.635 277 A CB -0.481 18.139 19.000 -0.633 0.000 0.810 277 A HN 0.238 nan 8.150 nan 0.000 0.445 278 V N -0.023 119.848 119.914 -0.071 0.000 2.295 278 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 278 V C 2.626 178.693 176.094 -0.045 0.000 1.049 278 V CA 2.294 64.567 62.300 -0.045 0.000 1.024 278 V CB -0.770 31.023 31.823 -0.050 0.000 0.648 278 V HN 0.536 nan 8.190 nan 0.000 0.447 279 R N -1.135 119.337 120.500 -0.047 0.000 2.120 279 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 279 R C 2.389 178.667 176.300 -0.035 0.000 1.123 279 R CA 1.644 57.716 56.100 -0.047 0.000 0.975 279 R CB -0.816 29.456 30.300 -0.047 0.000 0.866 279 R HN 0.567 nan 8.270 nan 0.000 0.446 280 C N 0.596 119.893 119.300 -0.006 0.000 2.453 280 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 280 C C 2.571 177.578 174.990 0.027 0.000 1.262 280 C CA 0.818 59.851 59.018 0.025 0.000 1.718 280 C CB -0.613 27.197 27.740 0.118 0.000 2.031 280 C HN 0.463 nan 8.230 nan 0.000 0.480 281 M N 0.044 119.670 119.600 0.044 0.000 2.175 281 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 281 M C 2.252 178.529 176.300 -0.039 0.000 1.063 281 M CA 1.680 56.995 55.300 0.025 0.000 1.119 281 M CB -0.433 32.189 32.600 0.035 0.000 1.377 281 M HN 0.359 nan 8.290 nan 0.000 0.415 282 K N 0.092 120.453 120.400 -0.065 0.000 2.097 282 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 282 K C 1.991 178.572 176.600 -0.032 0.000 1.049 282 K CA 1.345 57.588 56.287 -0.073 0.000 0.933 282 K CB -0.207 32.247 32.500 -0.078 0.000 0.717 282 K HN 0.351 nan 8.250 nan 0.000 0.442 283 M N 0.475 120.050 119.600 -0.040 0.000 2.132 283 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 283 M C 2.066 178.370 176.300 0.006 0.000 1.065 283 M CA 1.625 56.898 55.300 -0.045 0.000 1.122 283 M CB -0.053 32.495 32.600 -0.086 0.000 1.365 283 M HN 0.154 nan 8.290 nan 0.000 0.411 284 A N 0.056 122.880 122.820 0.007 0.000 2.067 284 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 284 A C 1.837 179.457 177.584 0.059 0.000 1.158 284 A CA 1.113 53.175 52.037 0.042 0.000 0.661 284 A CB -0.426 18.605 19.000 0.051 0.000 0.801 284 A HN 0.559 nan 8.150 nan 0.000 0.452 285 M N -0.655 118.970 119.600 0.042 0.000 2.561 285 M HA 0.086 4.566 4.480 -0.000 0.000 0.238 285 M C 0.371 176.706 176.300 0.057 0.000 1.131 285 M CA 0.134 55.454 55.300 0.034 0.000 1.046 285 M CB -1.292 31.294 32.600 -0.023 0.000 1.532 285 M HN 0.517 nan 8.290 nan 0.000 0.497 286 H N 0.801 119.858 119.070 -0.021 0.000 3.091 286 H HA 0.308 4.864 4.556 0.000 0.000 0.289 286 H C 1.306 176.631 175.328 -0.005 0.000 0.995 286 H CA 1.617 57.654 56.048 -0.017 0.000 1.461 286 H CB 0.034 29.785 29.762 -0.019 0.000 1.510 286 H HN 0.591 nan 8.280 nan 0.000 0.546 287 G N 3.267 111.860 108.800 -0.345 0.000 2.176 287 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.253 287 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.253 287 G C -0.066 174.773 174.900 -0.101 0.000 0.979 287 G CA 0.252 45.202 45.100 -0.251 0.000 0.641 287 G HN 0.656 nan 8.290 nan 0.000 0.530 288 V N 2.064 121.946 119.914 -0.054 0.000 2.339 288 V HA 0.308 4.428 4.120 -0.000 0.000 0.261 288 V C 0.535 176.623 176.094 -0.011 0.000 1.058 288 V CA 0.007 62.298 62.300 -0.014 0.000 0.897 288 V CB 1.326 33.159 31.823 0.016 0.000 1.052 288 V HN 0.267 nan 8.190 nan 0.000 0.480 289 D N 2.269 122.660 120.400 -0.014 0.000 2.339 289 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 289 D C 1.156 177.462 176.300 0.010 0.000 1.050 289 D CA 0.314 54.310 54.000 -0.007 0.000 0.856 289 D CB 0.641 41.431 40.800 -0.016 0.000 0.922 289 D HN 0.668 nan 8.370 nan 0.000 0.518 290 T N -0.051 114.514 114.554 0.018 0.000 2.909 290 T HA 0.444 4.794 4.350 -0.000 0.000 0.286 290 T C -2.362 172.366 174.700 0.047 0.000 1.002 290 T CA -1.634 60.482 62.100 0.027 0.000 1.074 290 T CB 2.198 71.079 68.868 0.023 0.000 0.984 290 T HN -0.180 nan 8.240 nan 0.000 0.495 291 P HA 0.289 nan 4.420 nan 0.000 0.274 291 P C -0.494 176.852 177.300 0.077 0.000 1.237 291 P CA -0.694 62.452 63.100 0.077 0.000 0.793 291 P CB 0.565 32.299 31.700 0.058 0.000 0.977 292 I N 3.016 123.652 120.570 0.110 0.000 2.363 292 I HA 0.027 4.197 4.170 -0.000 0.000 0.292 292 I C 1.314 177.422 176.117 -0.016 0.000 1.075 292 I CA 0.283 61.619 61.300 0.061 0.000 1.333 292 I CB 0.028 38.082 38.000 0.090 0.000 1.415 292 I HN 0.307 nan 8.210 nan 0.000 0.502 293 D N 5.114 125.522 120.400 0.014 0.000 2.213 293 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 293 D C 0.065 176.405 176.300 0.067 0.000 0.961 293 D CA 1.441 55.457 54.000 0.026 0.000 0.853 293 D CB 0.354 41.181 40.800 0.043 0.000 0.967 293 D HN 0.519 nan 8.370 nan 0.000 0.496 294 Y N 0.090 120.340 120.300 -0.084 0.000 2.479 294 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 294 Y C -2.039 173.807 175.900 -0.090 0.000 1.055 294 Y CA -1.132 56.910 58.100 -0.097 0.000 1.023 294 Y CB 1.303 39.707 38.460 -0.094 0.000 1.287 294 Y HN -0.233 nan 8.280 nan 0.000 0.447 295 L N 7.104 127.718 121.223 -1.015 0.000 2.343 295 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 295 L C -1.088 175.138 176.870 -1.074 0.000 0.996 295 L CA -0.528 53.826 54.840 -0.811 0.000 0.831 295 L CB 0.907 42.708 42.059 -0.429 0.000 1.232 295 L HN 0.804 nan 8.230 nan 0.000 0.413 296 N N 3.713 121.942 118.700 -0.785 0.000 2.469 296 N HA 0.122 4.862 4.740 -0.000 0.000 0.239 296 N C -0.296 175.096 175.510 -0.197 0.000 1.053 296 N CA -0.220 52.618 53.050 -0.353 0.000 0.937 296 N CB 0.977 39.430 38.487 -0.056 0.000 1.163 296 N HN 0.728 nan 8.380 nan 0.000 0.509 297 S N 2.386 118.016 115.700 -0.116 0.000 2.608 297 S HA 0.018 4.488 4.470 -0.000 0.000 0.261 297 S C 1.261 175.794 174.600 -0.113 0.000 1.314 297 S CA -0.427 57.740 58.200 -0.056 0.000 0.992 297 S CB 1.376 64.640 63.200 0.105 0.000 0.935 297 S HN 0.639 nan 8.310 nan 0.000 0.564 298 E N 1.635 121.751 120.200 -0.141 0.000 2.047 298 E HA 0.044 4.394 4.350 -0.000 0.000 0.191 298 E C 1.377 177.876 176.600 -0.167 0.000 0.987 298 E CA 1.267 57.533 56.400 -0.224 0.000 0.799 298 E CB -1.324 28.260 29.700 -0.194 0.000 0.752 298 E HN 1.215 nan 8.360 nan 0.000 0.449 299 G N 0.892 109.641 108.800 -0.086 0.000 2.216 299 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.263 299 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.263 299 G C 0.649 175.420 174.900 -0.214 0.000 0.837 299 G CA 0.806 45.779 45.100 -0.211 0.000 1.227 299 G HN 0.362 nan 8.290 nan 0.000 0.407 300 T N -0.441 114.037 114.554 -0.127 0.000 2.915 300 T HA 0.072 4.422 4.350 -0.000 0.000 0.269 300 T C 1.711 176.424 174.700 0.022 0.000 1.071 300 T CA 1.699 63.754 62.100 -0.075 0.000 1.132 300 T CB -0.035 68.861 68.868 0.047 0.000 0.878 300 T HN 1.739 nan 8.240 nan 0.000 0.479 301 S N 0.773 116.453 115.700 -0.034 0.000 3.461 301 S HA -0.136 4.334 4.470 -0.000 0.000 0.282 301 S C 0.268 174.916 174.600 0.079 0.000 1.262 301 S CA 0.606 58.796 58.200 -0.017 0.000 0.853 301 S CB -2.027 61.178 63.200 0.008 0.000 1.048 301 S HN 0.895 nan 8.310 nan 0.000 0.644 302 T N -1.161 113.460 114.554 0.112 0.000 2.929 302 T HA 0.691 5.041 4.350 -0.000 0.000 0.284 302 T C -1.487 173.279 174.700 0.111 0.000 1.014 302 T CA -1.524 60.667 62.100 0.151 0.000 1.051 302 T CB 1.588 70.591 68.868 0.225 0.000 1.028 302 T HN -0.056 nan 8.240 nan 0.000 0.485 303 P HA -0.115 nan 4.420 nan 0.000 0.213 303 P C 1.715 179.067 177.300 0.086 0.000 1.170 303 P CA 0.700 63.850 63.100 0.084 0.000 0.902 303 P CB -0.086 31.659 31.700 0.074 0.000 0.789 304 V N -0.393 119.576 119.914 0.092 0.000 2.323 304 V HA -0.113 4.007 4.120 -0.000 0.000 0.244 304 V C 2.583 178.738 176.094 0.101 0.000 1.041 304 V CA 2.404 64.756 62.300 0.086 0.000 1.025 304 V CB -1.957 29.914 31.823 0.080 0.000 0.656 304 V HN 0.187 nan 8.190 nan 0.000 0.451 305 G N 0.068 108.944 108.800 0.128 0.000 2.459 305 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 305 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 305 G C 1.196 176.180 174.900 0.140 0.000 1.183 305 G CA 1.234 46.420 45.100 0.144 0.000 0.776 305 G HN 0.499 nan 8.290 nan 0.000 0.552 306 D N 0.016 120.489 120.400 0.123 0.000 2.149 306 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 306 D C 2.737 179.164 176.300 0.211 0.000 0.990 306 D CA 0.763 54.855 54.000 0.153 0.000 0.839 306 D CB -0.384 40.472 40.800 0.094 0.000 0.948 306 D HN 0.238 nan 8.370 nan 0.000 0.460 307 V N 0.981 120.983 119.914 0.147 0.000 2.307 307 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 307 V C 2.375 178.525 176.094 0.093 0.000 1.045 307 V CA 1.301 63.670 62.300 0.115 0.000 1.024 307 V CB -0.304 31.567 31.823 0.081 0.000 0.651 307 V HN 0.112 nan 8.190 nan 0.000 0.449 308 K N 0.191 120.638 120.400 0.079 0.000 2.063 308 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 308 K C 2.151 178.781 176.600 0.050 0.000 1.048 308 K CA 1.855 58.169 56.287 0.044 0.000 0.928 308 K CB -0.342 32.170 32.500 0.019 0.000 0.713 308 K HN 0.675 nan 8.250 nan 0.000 0.442 309 E N 0.821 121.085 120.200 0.108 0.000 2.106 309 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 309 E C 2.085 178.778 176.600 0.155 0.000 0.984 309 E CA 0.535 57.033 56.400 0.163 0.000 0.806 309 E CB 0.033 29.912 29.700 0.299 0.000 0.750 309 E HN 0.173 nan 8.360 nan 0.000 0.458 310 L N 0.376 121.687 121.223 0.146 0.000 2.093 310 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 310 L C 2.652 179.560 176.870 0.062 0.000 1.085 310 L CA 0.897 55.788 54.840 0.085 0.000 0.755 310 L CB -0.451 41.637 42.059 0.047 0.000 0.904 310 L HN 0.248 nan 8.230 nan 0.000 0.435 311 A N 0.138 122.993 122.820 0.058 0.000 1.877 311 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 311 A C 2.544 180.153 177.584 0.041 0.000 1.186 311 A CA 1.662 53.722 52.037 0.039 0.000 0.620 311 A CB -0.654 18.362 19.000 0.026 0.000 0.822 311 A HN 0.387 nan 8.150 nan 0.000 0.443 312 A N 0.010 122.854 122.820 0.041 0.000 1.902 312 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 312 A C 2.120 179.756 177.584 0.086 0.000 1.181 312 A CA 1.569 53.627 52.037 0.035 0.000 0.623 312 A CB -0.647 18.358 19.000 0.008 0.000 0.818 312 A HN 0.509 nan 8.150 nan 0.000 0.443 313 I N -0.945 119.707 120.570 0.138 0.000 2.226 313 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 313 I C 2.773 179.033 176.117 0.237 0.000 1.100 313 I CA 1.452 62.893 61.300 0.235 0.000 1.374 313 I CB -0.373 37.732 38.000 0.176 0.000 1.057 313 I HN 0.304 nan 8.210 nan 0.000 0.413 314 R N 0.383 120.958 120.500 0.126 0.000 2.096 314 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 314 R C 2.236 178.585 176.300 0.082 0.000 1.127 314 R CA 1.560 57.718 56.100 0.098 0.000 0.968 314 R CB -0.284 30.046 30.300 0.050 0.000 0.861 314 R HN 0.270 nan 8.270 nan 0.000 0.440 315 E N 0.368 120.598 120.200 0.050 0.000 2.072 315 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 315 E C 1.821 178.406 176.600 -0.024 0.000 0.985 315 E CA 1.058 57.464 56.400 0.011 0.000 0.801 315 E CB 0.084 29.781 29.700 -0.005 0.000 0.750 315 E HN 0.041 nan 8.360 nan 0.000 0.452 316 V N -0.312 119.571 119.914 -0.052 0.000 2.323 316 V HA -0.169 3.951 4.120 -0.000 0.000 0.244 316 V C 1.717 177.599 176.094 -0.352 0.000 1.041 316 V CA 1.816 63.967 62.300 -0.249 0.000 1.025 316 V CB -0.435 31.147 31.823 -0.403 0.000 0.656 316 V HN 0.270 nan 8.190 nan 0.000 0.451 317 F N -0.429 119.520 119.950 -0.000 0.000 2.678 317 F HA 0.482 5.009 4.527 -0.000 0.000 0.291 317 F C 1.917 177.715 175.800 -0.004 0.000 1.123 317 F CA 0.646 58.644 58.000 -0.003 0.000 1.395 317 F CB -0.589 38.407 39.000 -0.007 0.000 1.121 317 F HN 0.264 nan 8.300 nan 0.000 0.592 318 G N 1.832 110.730 108.800 0.163 0.000 2.660 318 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.321 318 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.321 318 G C 0.943 175.895 174.900 0.086 0.000 1.246 318 G CA 0.767 45.922 45.100 0.091 0.000 1.000 318 G HN 0.421 nan 8.290 nan 0.000 0.550 319 D N 1.103 121.541 120.400 0.064 0.000 2.363 319 D HA 0.015 4.655 4.640 -0.000 0.000 0.226 319 D C 1.362 177.695 176.300 0.056 0.000 1.020 319 D CA 0.969 54.997 54.000 0.047 0.000 0.892 319 D CB -0.051 40.769 40.800 0.033 0.000 0.900 319 D HN 0.566 nan 8.370 nan 0.000 0.531 320 K N 0.854 121.314 120.400 0.101 0.000 2.675 320 K HA 0.088 4.408 4.320 -0.000 0.000 0.213 320 K C 0.179 176.820 176.600 0.068 0.000 1.074 320 K CA -0.274 56.080 56.287 0.112 0.000 1.172 320 K CB 0.702 33.313 32.500 0.185 0.000 0.927 320 K HN -0.087 nan 8.250 nan 0.000 0.471 321 S N 3.438 119.143 115.700 0.007 0.000 2.555 321 S HA 0.056 4.526 4.470 -0.000 0.000 0.293 321 S C -1.656 172.818 174.600 -0.210 0.000 1.248 321 S CA -1.199 56.928 58.200 -0.122 0.000 1.096 321 S CB 0.162 63.318 63.200 -0.072 0.000 0.881 321 S HN 0.199 nan 8.310 nan 0.000 0.498 322 P HA 0.368 nan 4.420 nan 0.000 0.279 322 P C -0.712 176.465 177.300 -0.205 0.000 1.276 322 P CA -0.717 62.196 63.100 -0.311 0.000 0.801 322 P CB 0.589 31.997 31.700 -0.487 0.000 1.127 323 A N 0.814 123.577 122.820 -0.094 0.000 2.498 323 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 323 A C 0.272 177.850 177.584 -0.010 0.000 1.068 323 A CA 0.113 52.150 52.037 -0.000 0.000 0.766 323 A CB -0.776 18.284 19.000 0.099 0.000 1.003 323 A HN 0.464 nan 8.150 nan 0.000 0.497 324 I N 1.379 121.956 120.570 0.012 0.000 2.619 324 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 324 I C -0.047 176.154 176.117 0.139 0.000 1.100 324 I CA -0.230 61.056 61.300 -0.022 0.000 1.043 324 I CB 2.575 40.509 38.000 -0.110 0.000 1.239 324 I HN 0.776 nan 8.210 nan 0.000 0.420 325 S N 3.855 119.690 115.700 0.226 0.000 2.537 325 S HA 0.859 5.329 4.470 -0.000 0.000 0.270 325 S C -1.129 173.603 174.600 0.219 0.000 1.142 325 S CA -0.755 57.605 58.200 0.268 0.000 0.870 325 S CB 2.075 65.446 63.200 0.284 0.000 1.112 325 S HN 0.803 nan 8.310 nan 0.000 0.466 326 A N 2.187 125.113 122.820 0.177 0.000 2.316 326 A HA 0.598 4.918 4.320 -0.000 0.000 0.324 326 A C 1.142 178.729 177.584 0.006 0.000 1.375 326 A CA -0.208 51.860 52.037 0.052 0.000 0.882 326 A CB -0.029 18.919 19.000 -0.087 0.000 1.152 326 A HN 1.364 nan 8.150 nan 0.000 0.512 327 T N 0.083 114.643 114.554 0.010 0.000 2.962 327 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 327 T C 1.376 176.028 174.700 -0.081 0.000 1.088 327 T CA 1.333 63.400 62.100 -0.055 0.000 1.127 327 T CB -0.310 68.509 68.868 -0.082 0.000 0.883 327 T HN 0.628 nan 8.240 nan 0.000 0.493 328 K N 1.236 121.590 120.400 -0.076 0.000 2.280 328 K HA 0.123 4.443 4.320 -0.000 0.000 0.202 328 K C 2.623 179.186 176.600 -0.063 0.000 1.047 328 K CA 0.914 57.150 56.287 -0.085 0.000 0.942 328 K CB -0.382 32.027 32.500 -0.152 0.000 0.739 328 K HN 0.502 nan 8.250 nan 0.000 0.457 329 A N 1.714 124.491 122.820 -0.071 0.000 2.019 329 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 329 A C 2.072 179.630 177.584 -0.044 0.000 1.164 329 A CA 1.670 53.672 52.037 -0.058 0.000 0.644 329 A CB -0.430 18.537 19.000 -0.055 0.000 0.805 329 A HN 0.434 nan 8.150 nan 0.000 0.449 330 M N -2.423 117.143 119.600 -0.056 0.000 2.571 330 M HA 0.097 4.577 4.480 -0.000 0.000 0.259 330 M C 1.771 178.042 176.300 -0.048 0.000 1.205 330 M CA 1.487 56.756 55.300 -0.053 0.000 1.138 330 M CB -0.468 32.090 32.600 -0.071 0.000 1.329 330 M HN 0.244 nan 8.290 nan 0.000 0.503 331 T N -1.637 112.880 114.554 -0.062 0.000 3.044 331 T HA 0.523 4.873 4.350 -0.000 0.000 0.255 331 T C 1.135 175.848 174.700 0.021 0.000 1.073 331 T CA 0.607 62.689 62.100 -0.029 0.000 1.125 331 T CB -0.296 68.560 68.868 -0.021 0.000 0.908 331 T HN 0.814 nan 8.240 nan 0.000 0.480 332 G N 0.915 109.734 108.800 0.031 0.000 0.000 332 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.000 332 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.000 332 G C -0.986 173.963 174.900 0.083 0.000 0.000 332 G CA -0.385 44.768 45.100 0.088 0.000 0.000 332 G HN 0.770 nan 8.290 nan 0.000 0.000 333 H N 0.882 119.950 119.070 -0.004 0.000 2.641 333 H HA 0.587 5.143 4.556 0.000 0.000 0.295 333 H C 1.654 176.897 175.328 -0.143 0.000 1.070 333 H CA 0.031 55.985 56.048 -0.156 0.000 1.257 333 H CB 0.720 30.209 29.762 -0.455 0.000 1.393 333 H HN 0.801 nan 8.280 nan 0.000 0.464 334 S N 4.796 120.604 115.700 0.179 0.000 2.701 334 S HA 0.082 4.552 4.470 -0.000 0.000 0.220 334 S C 1.425 176.028 174.600 0.004 0.000 0.954 334 S CA 0.038 58.269 58.200 0.051 0.000 0.936 334 S CB -0.525 62.682 63.200 0.012 0.000 0.777 334 S HN 0.719 nan 8.310 nan 0.000 0.518 335 L N -0.068 121.121 121.223 -0.056 0.000 4.782 335 L HA -0.360 3.980 4.340 -0.000 0.000 0.053 335 L C 2.287 179.123 176.870 -0.057 0.000 3.426 335 L CA 1.501 56.175 54.840 -0.277 0.000 1.357 335 L CB -2.107 39.769 42.059 -0.305 0.000 3.081 335 L HN 0.433 nan 8.230 nan 0.000 0.912 336 G N -1.103 107.673 108.800 -0.040 0.000 2.462 336 G HA2 0.009 3.969 3.960 -0.000 0.000 0.220 336 G HA3 0.009 3.969 3.960 -0.000 0.000 0.220 336 G C 1.302 176.203 174.900 0.001 0.000 1.121 336 G CA 1.395 46.495 45.100 0.001 0.000 0.758 336 G HN 0.854 nan 8.290 nan 0.000 0.559 337 A N 0.385 123.204 122.820 -0.002 0.000 2.178 337 A HA 0.631 4.951 4.320 -0.000 0.000 0.211 337 A C 2.598 180.149 177.584 -0.055 0.000 1.157 337 A CA 1.316 53.340 52.037 -0.021 0.000 0.780 337 A CB -0.267 18.726 19.000 -0.011 0.000 0.828 337 A HN 0.563 nan 8.150 nan 0.000 0.476 338 A N 0.254 123.055 122.820 -0.031 0.000 1.892 338 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 338 A C 2.389 179.893 177.584 -0.132 0.000 1.188 338 A CA 2.078 54.075 52.037 -0.068 0.000 0.631 338 A CB -1.442 17.532 19.000 -0.044 0.000 0.822 338 A HN 0.725 nan 8.150 nan 0.000 0.447 339 G N -0.850 107.879 108.800 -0.118 0.000 2.491 339 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 339 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 339 G C 1.679 176.480 174.900 -0.166 0.000 1.180 339 G CA 1.543 46.556 45.100 -0.145 0.000 0.774 339 G HN 0.716 nan 8.290 nan 0.000 0.562 340 V N 0.217 120.039 119.914 -0.154 0.000 2.427 340 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 340 V C 2.750 178.681 176.094 -0.273 0.000 1.051 340 V CA 2.584 64.776 62.300 -0.180 0.000 1.048 340 V CB -0.283 31.457 31.823 -0.138 0.000 0.666 340 V HN 0.547 nan 8.190 nan 0.000 0.456 341 Q N -0.448 119.158 119.800 -0.324 0.000 2.079 341 Q HA -0.247 4.093 4.340 -0.000 0.000 0.200 341 Q C 2.176 177.594 176.000 -0.970 0.000 0.974 341 Q CA 2.094 57.537 55.803 -0.601 0.000 0.840 341 Q CB -0.146 28.311 28.738 -0.468 0.000 0.898 341 Q HN 0.707 nan 8.270 nan 0.000 0.430 342 E N 0.420 120.307 120.200 -0.521 0.000 2.204 342 E HA -0.123 4.227 4.350 -0.000 0.000 0.194 342 E C 1.845 178.327 176.600 -0.197 0.000 0.989 342 E CA 0.795 57.031 56.400 -0.272 0.000 0.824 342 E CB -0.009 29.635 29.700 -0.093 0.000 0.756 342 E HN 0.344 nan 8.360 nan 0.000 0.477 343 A N 0.767 123.452 122.820 -0.224 0.000 1.929 343 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 343 A C 2.108 179.587 177.584 -0.175 0.000 1.176 343 A CA 0.819 52.762 52.037 -0.157 0.000 0.628 343 A CB -0.391 18.516 19.000 -0.155 0.000 0.816 343 A HN 0.144 nan 8.150 nan 0.000 0.444 344 I N -1.381 119.021 120.570 -0.280 0.000 2.226 344 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 344 I C 2.288 178.328 176.117 -0.129 0.000 1.100 344 I CA 1.278 62.421 61.300 -0.261 0.000 1.374 344 I CB -0.441 37.367 38.000 -0.320 0.000 1.057 344 I HN 0.384 nan 8.210 nan 0.000 0.413 345 Y N 0.730 121.001 120.300 -0.048 0.000 2.207 345 Y HA -0.208 4.342 4.550 -0.000 0.000 0.287 345 Y C 2.927 178.802 175.900 -0.041 0.000 1.156 345 Y CA 0.914 58.998 58.100 -0.026 0.000 1.182 345 Y CB -1.339 37.111 38.460 -0.016 0.000 0.979 345 Y HN 0.102 nan 8.280 nan 0.000 0.521 346 S N 0.001 115.770 115.700 0.115 0.000 2.368 346 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 346 S C 2.141 176.755 174.600 0.024 0.000 1.029 346 S CA 1.036 59.294 58.200 0.097 0.000 0.988 346 S CB -0.586 62.674 63.200 0.101 0.000 0.838 346 S HN 0.358 nan 8.310 nan 0.000 0.462 347 L N 0.958 122.173 121.223 -0.013 0.000 2.141 347 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 347 L C 2.138 179.033 176.870 0.042 0.000 1.094 347 L CA 0.878 55.703 54.840 -0.025 0.000 0.763 347 L CB -0.484 41.480 42.059 -0.159 0.000 0.908 347 L HN 0.294 nan 8.230 nan 0.000 0.437 348 L N -1.165 120.105 121.223 0.077 0.000 2.109 348 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 348 L C 2.606 179.615 176.870 0.232 0.000 1.086 348 L CA 1.172 56.165 54.840 0.255 0.000 0.760 348 L CB -0.295 41.943 42.059 0.298 0.000 0.910 348 L HN 0.297 nan 8.230 nan 0.000 0.437 349 M N -0.869 118.665 119.600 -0.110 0.000 2.175 349 M HA -0.216 4.264 4.480 -0.000 0.000 0.264 349 M C 2.276 178.457 176.300 -0.197 0.000 1.063 349 M CA 1.531 56.505 55.300 -0.543 0.000 1.119 349 M CB -0.263 31.863 32.600 -0.789 0.000 1.377 349 M HN 0.213 nan 8.290 nan 0.000 0.415 350 L N 0.553 121.736 121.223 -0.068 0.000 2.056 350 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 350 L C 2.265 179.147 176.870 0.020 0.000 1.078 350 L CA 1.968 56.803 54.840 -0.008 0.000 0.749 350 L CB -0.555 41.518 42.059 0.023 0.000 0.901 350 L HN 0.191 nan 8.230 nan 0.000 0.433 351 E N -1.015 119.208 120.200 0.040 0.000 2.051 351 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 351 E C 1.857 178.334 176.600 -0.205 0.000 0.991 351 E CA 1.663 58.029 56.400 -0.057 0.000 0.799 351 E CB -0.172 29.519 29.700 -0.016 0.000 0.748 351 E HN 0.628 nan 8.360 nan 0.000 0.449 352 H N -1.119 118.075 119.070 0.206 0.000 2.539 352 H HA 0.274 4.830 4.556 -0.000 0.000 0.269 352 H C 0.580 176.063 175.328 0.259 0.000 0.980 352 H CA 0.593 56.784 56.048 0.239 0.000 1.152 352 H CB 0.365 30.316 29.762 0.314 0.000 1.407 352 H HN 0.292 nan 8.280 nan 0.000 0.564 353 G N 1.915 110.853 108.800 0.231 0.000 2.351 353 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.297 353 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.297 353 G C -0.232 174.815 174.900 0.245 0.000 1.054 353 G CA 0.709 45.904 45.100 0.160 0.000 1.123 353 G HN 0.534 nan 8.290 nan 0.000 0.512 354 F N -1.754 118.184 119.950 -0.020 0.000 2.713 354 F HA 0.804 5.331 4.527 -0.000 0.000 0.311 354 F C -0.919 174.787 175.800 -0.156 0.000 1.141 354 F CA -2.196 55.767 58.000 -0.061 0.000 0.939 354 F CB 1.166 40.144 39.000 -0.037 0.000 1.325 354 F HN 0.065 nan 8.300 nan 0.000 0.453 355 I N 2.814 123.239 120.570 -0.241 0.000 2.389 355 I HA 0.606 4.776 4.170 -0.000 0.000 0.288 355 I C 0.089 176.081 176.117 -0.208 0.000 0.999 355 I CA -1.078 59.927 61.300 -0.491 0.000 1.129 355 I CB 1.672 39.482 38.000 -0.317 0.000 1.288 355 I HN 0.962 nan 8.210 nan 0.000 0.444 356 A N 9.324 131.943 122.820 -0.335 0.000 2.462 356 A HA 0.463 4.783 4.320 -0.000 0.000 0.243 356 A C -2.304 175.271 177.584 -0.014 0.000 1.076 356 A CA -1.011 51.014 52.037 -0.020 0.000 0.773 356 A CB -0.345 18.622 19.000 -0.055 0.000 1.010 356 A HN 0.433 nan 8.150 nan 0.000 0.493 357 P HA 0.108 nan 4.420 nan 0.000 0.274 357 P C -0.333 176.992 177.300 0.040 0.000 1.231 357 P CA -0.169 62.951 63.100 0.034 0.000 0.790 357 P CB 1.159 32.876 31.700 0.029 0.000 0.951 358 S N 2.676 118.416 115.700 0.066 0.000 2.464 358 S HA 0.368 4.838 4.470 -0.000 0.000 0.313 358 S C 0.622 175.258 174.600 0.060 0.000 1.078 358 S CA -0.854 57.397 58.200 0.086 0.000 1.096 358 S CB -1.342 61.959 63.200 0.169 0.000 1.032 358 S HN 0.347 nan 8.310 nan 0.000 0.498 359 I N 2.006 122.591 120.570 0.025 0.000 3.156 359 I HA 0.456 4.626 4.170 -0.000 0.000 0.306 359 I C 0.568 176.687 176.117 0.004 0.000 1.048 359 I CA -0.479 60.829 61.300 0.012 0.000 1.207 359 I CB 0.193 38.190 38.000 -0.006 0.000 1.456 359 I HN 0.794 nan 8.210 nan 0.000 0.616 360 N N 0.210 118.908 118.700 -0.004 0.000 2.800 360 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 360 N C -0.585 174.926 175.510 0.001 0.000 1.078 360 N CA 0.444 53.481 53.050 -0.021 0.000 0.804 360 N CB -1.230 37.220 38.487 -0.062 0.000 1.135 360 N HN 0.497 nan 8.380 nan 0.000 0.565 361 I N 1.331 121.921 120.570 0.033 0.000 2.241 361 I HA 0.046 4.216 4.170 -0.000 0.000 0.294 361 I C 1.208 177.359 176.117 0.056 0.000 1.145 361 I CA 0.106 61.443 61.300 0.062 0.000 1.261 361 I CB 0.509 38.563 38.000 0.091 0.000 1.475 361 I HN 0.156 nan 8.210 nan 0.000 0.533 362 E N 3.659 123.894 120.200 0.059 0.000 2.230 362 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 362 E C 0.528 177.175 176.600 0.079 0.000 0.987 362 E CA 0.570 57.005 56.400 0.058 0.000 0.841 362 E CB 0.473 30.203 29.700 0.050 0.000 0.783 362 E HN 0.528 nan 8.360 nan 0.000 0.481 363 E N 1.113 121.378 120.200 0.109 0.000 2.432 363 E HA 0.130 4.480 4.350 -0.000 0.000 0.272 363 E C -1.425 175.235 176.600 0.101 0.000 0.937 363 E CA -0.571 55.897 56.400 0.113 0.000 0.812 363 E CB 0.965 30.768 29.700 0.171 0.000 1.377 363 E HN -0.064 nan 8.360 nan 0.000 0.399 364 L N 4.007 125.275 121.223 0.076 0.000 2.499 364 L HA 0.127 4.467 4.340 -0.000 0.000 0.273 364 L C -0.033 176.873 176.870 0.060 0.000 1.195 364 L CA 0.631 55.514 54.840 0.070 0.000 0.882 364 L CB 0.609 42.692 42.059 0.041 0.000 1.133 364 L HN 0.587 nan 8.230 nan 0.000 0.483 365 D N 2.760 123.205 120.400 0.075 0.000 2.472 365 D HA -0.089 4.551 4.640 -0.000 0.000 0.237 365 D C 1.115 177.435 176.300 0.033 0.000 1.141 365 D CA 0.690 54.724 54.000 0.056 0.000 0.875 365 D CB 0.751 41.605 40.800 0.090 0.000 1.192 365 D HN 0.745 nan 8.370 nan 0.000 0.450 366 E N 1.858 122.072 120.200 0.022 0.000 2.160 366 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 366 E C 1.202 177.809 176.600 0.011 0.000 0.991 366 E CA 0.972 57.380 56.400 0.015 0.000 0.810 366 E CB 0.157 29.864 29.700 0.012 0.000 0.742 366 E HN 0.601 nan 8.360 nan 0.000 0.466 367 Q N -1.191 118.620 119.800 0.018 0.000 2.415 367 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 367 Q C 0.862 176.862 176.000 -0.001 0.000 0.946 367 Q CA 0.388 56.200 55.803 0.015 0.000 0.951 367 Q CB 0.492 29.247 28.738 0.029 0.000 1.026 367 Q HN 0.263 nan 8.270 nan 0.000 0.510 368 A N -0.335 122.475 122.820 -0.017 0.000 2.431 368 A HA 0.460 4.780 4.320 -0.000 0.000 0.239 368 A C 0.726 178.270 177.584 -0.066 0.000 1.230 368 A CA -0.044 51.949 52.037 -0.074 0.000 0.928 368 A CB 0.353 19.281 19.000 -0.121 0.000 1.006 368 A HN 0.272 nan 8.150 nan 0.000 0.520 369 A N -0.710 122.091 122.820 -0.032 0.000 2.540 369 A HA 0.443 4.763 4.320 -0.000 0.000 0.239 369 A C 1.658 179.225 177.584 -0.028 0.000 1.061 369 A CA 0.787 52.809 52.037 -0.024 0.000 0.758 369 A CB -0.500 18.495 19.000 -0.009 0.000 0.991 369 A HN 1.944 nan 8.150 nan 0.000 0.502 370 G N 0.905 109.689 108.800 -0.028 0.000 2.253 370 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.251 370 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.251 370 G C 0.219 175.095 174.900 -0.039 0.000 0.998 370 G CA 0.371 45.456 45.100 -0.025 0.000 0.621 370 G HN 0.812 nan 8.290 nan 0.000 0.524 371 L N 0.517 121.703 121.223 -0.062 0.000 2.439 371 L HA 0.428 4.768 4.340 -0.000 0.000 0.261 371 L C 0.836 177.655 176.870 -0.085 0.000 1.153 371 L CA -0.691 54.096 54.840 -0.088 0.000 0.808 371 L CB 0.695 42.670 42.059 -0.139 0.000 1.126 371 L HN 0.121 nan 8.230 nan 0.000 0.460 372 N N 2.477 121.124 118.700 -0.088 0.000 3.331 372 N HA 0.145 4.885 4.740 -0.000 0.000 0.303 372 N C -0.665 174.806 175.510 -0.064 0.000 1.326 372 N CA -0.307 52.704 53.050 -0.065 0.000 1.207 372 N CB -0.133 38.319 38.487 -0.057 0.000 1.477 372 N HN 0.288 nan 8.380 nan 0.000 0.541 373 I N 2.126 122.648 120.570 -0.080 0.000 2.436 373 I HA 0.088 4.258 4.170 -0.000 0.000 0.289 373 I C 0.245 176.362 176.117 0.000 0.000 1.083 373 I CA -0.495 60.766 61.300 -0.065 0.000 1.372 373 I CB 0.387 38.311 38.000 -0.126 0.000 1.408 373 I HN -0.049 nan 8.210 nan 0.000 0.516 374 V N 7.217 127.154 119.914 0.038 0.000 2.455 374 V HA 0.139 4.259 4.120 -0.000 0.000 0.273 374 V C 1.300 177.425 176.094 0.052 0.000 1.045 374 V CA -0.020 62.306 62.300 0.043 0.000 0.976 374 V CB 0.897 32.751 31.823 0.051 0.000 0.993 374 V HN 0.914 nan 8.190 nan 0.000 0.475 375 T N 0.268 114.846 114.554 0.039 0.000 3.084 375 T HA 0.341 4.691 4.350 -0.000 0.000 0.270 375 T C 0.200 174.918 174.700 0.030 0.000 1.008 375 T CA -0.258 61.867 62.100 0.041 0.000 0.900 375 T CB 0.265 69.156 68.868 0.039 0.000 1.084 375 T HN 0.544 nan 8.240 nan 0.000 0.538 376 E N 1.566 121.782 120.200 0.027 0.000 2.308 376 E HA 0.303 4.653 4.350 -0.000 0.000 0.275 376 E C -0.945 175.673 176.600 0.029 0.000 0.890 376 E CA -0.497 55.916 56.400 0.022 0.000 0.754 376 E CB 2.041 31.751 29.700 0.016 0.000 1.207 376 E HN 0.116 nan 8.360 nan 0.000 0.426 377 T N 2.447 117.022 114.554 0.034 0.000 2.800 377 T HA 0.102 4.452 4.350 -0.000 0.000 0.283 377 T C -0.068 174.667 174.700 0.058 0.000 0.999 377 T CA 0.775 62.914 62.100 0.065 0.000 1.176 377 T CB -0.029 68.863 68.868 0.039 0.000 0.973 377 T HN 0.240 nan 8.240 nan 0.000 0.519 378 T N 4.321 118.922 114.554 0.080 0.000 2.840 378 T HA 0.241 4.591 4.350 -0.000 0.000 0.287 378 T C -0.406 174.347 174.700 0.088 0.000 0.991 378 T CA -0.931 61.203 62.100 0.057 0.000 0.964 378 T CB 1.216 70.100 68.868 0.027 0.000 0.954 378 T HN 0.460 nan 8.240 nan 0.000 0.438 379 D N 2.741 123.189 120.400 0.079 0.000 2.350 379 D HA 0.414 5.054 4.640 -0.000 0.000 0.249 379 D C 0.357 176.694 176.300 0.062 0.000 1.119 379 D CA 0.126 54.185 54.000 0.098 0.000 0.886 379 D CB 1.137 41.976 40.800 0.065 0.000 1.195 379 D HN 0.409 nan 8.370 nan 0.000 0.437 380 R N 1.071 121.608 120.500 0.062 0.000 2.725 380 R HA 0.036 4.376 4.340 -0.000 0.000 0.254 380 R C -1.439 174.879 176.300 0.030 0.000 1.076 380 R CA -0.603 55.517 56.100 0.032 0.000 0.940 380 R CB 1.148 31.455 30.300 0.012 0.000 1.260 380 R HN 0.144 nan 8.270 nan 0.000 0.466 381 E N 4.746 124.961 120.200 0.025 0.000 1.932 381 E HA 0.160 4.510 4.350 -0.000 0.000 0.275 381 E C -0.281 176.328 176.600 0.015 0.000 1.159 381 E CA -0.036 56.377 56.400 0.022 0.000 0.905 381 E CB 0.313 30.025 29.700 0.020 0.000 1.059 381 E HN 0.354 nan 8.360 nan 0.000 0.400 382 L N 1.416 122.645 121.223 0.009 0.000 2.375 382 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 382 L C 1.384 178.264 176.870 0.016 0.000 1.107 382 L CA -0.194 54.652 54.840 0.011 0.000 0.806 382 L CB 0.867 42.923 42.059 -0.004 0.000 1.146 382 L HN 0.336 nan 8.230 nan 0.000 0.447 383 T N -1.341 113.226 114.554 0.022 0.000 3.075 383 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 383 T C 0.274 174.989 174.700 0.025 0.000 0.979 383 T CA 0.276 62.388 62.100 0.020 0.000 1.033 383 T CB 0.692 69.570 68.868 0.017 0.000 1.104 383 T HN 0.605 nan 8.240 nan 0.000 0.473 384 T N 2.914 117.488 114.554 0.034 0.000 2.841 384 T HA 0.691 5.041 4.350 -0.000 0.000 0.285 384 T C -0.766 173.964 174.700 0.050 0.000 0.991 384 T CA -0.690 61.433 62.100 0.039 0.000 0.966 384 T CB 2.047 70.940 68.868 0.041 0.000 0.962 384 T HN 0.227 nan 8.240 nan 0.000 0.438 385 V N 0.998 120.943 119.914 0.050 0.000 3.001 385 V HA 0.870 4.990 4.120 -0.000 0.000 0.314 385 V C -0.702 175.400 176.094 0.012 0.000 1.099 385 V CA -1.244 61.087 62.300 0.052 0.000 0.989 385 V CB 2.205 34.102 31.823 0.124 0.000 1.040 385 V HN 0.975 nan 8.190 nan 0.000 0.434 386 M N 2.698 122.268 119.600 -0.050 0.000 2.530 386 M HA 0.770 5.250 4.480 -0.000 0.000 0.307 386 M C -1.033 175.198 176.300 -0.115 0.000 1.161 386 M CA -0.288 54.985 55.300 -0.044 0.000 0.903 386 M CB 2.231 34.839 32.600 0.013 0.000 1.711 386 M HN 1.008 nan 8.290 nan 0.000 0.451 387 S N 3.065 118.712 115.700 -0.087 0.000 2.614 387 S HA 0.587 5.057 4.470 -0.000 0.000 0.288 387 S C -1.555 172.949 174.600 -0.160 0.000 1.137 387 S CA -0.787 57.335 58.200 -0.129 0.000 0.992 387 S CB 1.052 64.189 63.200 -0.104 0.000 1.026 387 S HN 0.846 nan 8.310 nan 0.000 0.486 388 N N 2.102 120.655 118.700 -0.245 0.000 2.443 388 N HA 0.571 5.311 4.740 -0.000 0.000 0.295 388 N C -1.296 173.819 175.510 -0.658 0.000 1.076 388 N CA -0.428 52.348 53.050 -0.457 0.000 0.919 388 N CB 1.878 40.029 38.487 -0.560 0.000 1.176 388 N HN 0.485 nan 8.380 nan 0.000 0.487 389 S N 1.393 116.618 115.700 -0.791 0.000 2.672 389 S HA 0.605 5.075 4.470 -0.000 0.000 0.291 389 S C -1.303 172.974 174.600 -0.539 0.000 1.145 389 S CA -0.602 57.245 58.200 -0.590 0.000 1.013 389 S CB 0.429 63.442 63.200 -0.313 0.000 1.017 389 S HN 0.289 nan 8.310 nan 0.000 0.487 390 F N 1.024 120.965 119.950 -0.016 0.000 2.551 390 F HA 0.875 5.402 4.527 -0.000 0.000 0.316 390 F C 0.713 176.545 175.800 0.055 0.000 1.089 390 F CA -0.897 57.122 58.000 0.032 0.000 0.915 390 F CB 1.961 40.992 39.000 0.050 0.000 1.186 390 F HN 0.679 nan 8.300 nan 0.000 0.456 391 G N 0.652 109.629 108.800 0.294 0.000 2.725 391 G HA2 0.600 4.560 3.960 -0.000 0.000 0.288 391 G HA3 0.600 4.560 3.960 -0.000 0.000 0.288 391 G C -1.486 173.618 174.900 0.340 0.000 1.399 391 G CA -0.748 44.473 45.100 0.202 0.000 0.859 391 G HN 0.193 nan 8.290 nan 0.000 0.479 392 F N 0.315 120.356 119.950 0.151 0.000 2.589 392 F HA 0.391 4.918 4.527 -0.000 0.000 0.352 392 F C 1.740 177.602 175.800 0.103 0.000 1.168 392 F CA 0.922 58.999 58.000 0.127 0.000 1.353 392 F CB 0.574 39.653 39.000 0.130 0.000 1.116 392 F HN 1.165 nan 8.300 nan 0.000 0.608 393 G N 0.399 109.352 108.800 0.255 0.000 2.157 393 G HA2 0.026 3.986 3.960 -0.000 0.000 0.248 393 G HA3 0.026 3.986 3.960 -0.000 0.000 0.248 393 G C 0.883 175.858 174.900 0.125 0.000 0.979 393 G CA 0.384 45.575 45.100 0.152 0.000 0.650 393 G HN 1.911 nan 8.290 nan 0.000 0.529 394 G N -1.127 107.758 108.800 0.143 0.000 2.246 394 G HA2 0.070 4.030 3.960 -0.000 0.000 0.273 394 G HA3 0.070 4.030 3.960 -0.000 0.000 0.273 394 G C 0.362 175.334 174.900 0.119 0.000 1.055 394 G CA 1.361 46.522 45.100 0.103 0.000 0.851 394 G HN 1.953 nan 8.290 nan 0.000 0.500 395 T N 0.427 115.090 114.554 0.181 0.000 2.767 395 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 395 T C 0.000 174.880 174.700 0.300 0.000 0.963 395 T CA -0.564 61.673 62.100 0.229 0.000 1.019 395 T CB 0.321 69.344 68.868 0.258 0.000 0.923 395 T HN 0.325 nan 8.240 nan 0.000 0.468 396 N N 2.913 121.798 118.700 0.309 0.000 2.258 396 N HA 0.700 5.440 4.740 -0.000 0.000 0.299 396 N C -1.315 174.342 175.510 0.245 0.000 1.047 396 N CA -0.616 52.657 53.050 0.372 0.000 0.814 396 N CB 2.137 40.788 38.487 0.274 0.000 1.413 396 N HN 0.747 nan 8.380 nan 0.000 0.478 397 A N 0.816 123.691 122.820 0.091 0.000 2.455 397 A HA 0.776 5.095 4.320 -0.000 0.000 0.300 397 A C -0.858 176.698 177.584 -0.047 0.000 1.040 397 A CA -0.479 51.502 52.037 -0.092 0.000 0.697 397 A CB 1.475 20.169 19.000 -0.510 0.000 1.265 397 A HN 0.443 nan 8.150 nan 0.000 0.407 398 T N 2.071 116.642 114.554 0.028 0.000 2.916 398 T HA 0.617 4.967 4.350 -0.000 0.000 0.298 398 T C -0.980 173.776 174.700 0.092 0.000 1.031 398 T CA -0.256 61.858 62.100 0.024 0.000 0.993 398 T CB 0.971 69.874 68.868 0.059 0.000 1.045 398 T HN 0.515 nan 8.240 nan 0.000 0.454 399 L N 2.533 123.783 121.223 0.044 0.000 2.365 399 L HA 0.802 5.142 4.340 -0.000 0.000 0.273 399 L C -0.894 175.997 176.870 0.035 0.000 1.000 399 L CA -1.144 53.733 54.840 0.062 0.000 0.819 399 L CB 2.153 44.214 42.059 0.004 0.000 1.284 399 L HN 0.333 nan 8.230 nan 0.000 0.418 400 V N 3.622 123.566 119.914 0.051 0.000 2.444 400 V HA 0.515 4.635 4.120 -0.000 0.000 0.294 400 V C -0.195 175.917 176.094 0.029 0.000 1.022 400 V CA -0.360 61.965 62.300 0.041 0.000 0.850 400 V CB 1.809 33.666 31.823 0.057 0.000 0.992 400 V HN 0.707 nan 8.190 nan 0.000 0.426 401 M N 4.984 124.596 119.600 0.020 0.000 2.456 401 M HA 0.680 5.160 4.480 -0.000 0.000 0.324 401 M C -0.480 175.832 176.300 0.021 0.000 1.124 401 M CA -0.368 54.940 55.300 0.014 0.000 0.959 401 M CB 2.402 35.004 32.600 0.004 0.000 1.692 401 M HN 0.566 nan 8.290 nan 0.000 0.444 402 R N 1.492 122.001 120.500 0.015 0.000 2.621 402 R HA 0.451 4.791 4.340 -0.000 0.000 0.284 402 R C -1.150 175.154 176.300 0.006 0.000 0.998 402 R CA -0.773 55.336 56.100 0.015 0.000 0.895 402 R CB 1.899 32.207 30.300 0.014 0.000 1.195 402 R HN 0.662 nan 8.270 nan 0.000 0.450 403 K N 2.849 123.253 120.400 0.006 0.000 2.380 403 K HA 0.129 4.449 4.320 -0.000 0.000 0.267 403 K C -0.292 176.300 176.600 -0.014 0.000 0.990 403 K CA 0.191 56.474 56.287 -0.005 0.000 0.946 403 K CB 0.542 33.040 32.500 -0.003 0.000 0.937 403 K HN 0.415 nan 8.250 nan 0.000 0.491 404 L N 2.517 123.723 121.223 -0.028 0.000 2.344 404 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 404 L C 1.122 177.976 176.870 -0.027 0.000 1.035 404 L CA -0.610 54.213 54.840 -0.029 0.000 0.807 404 L CB 1.464 43.498 42.059 -0.041 0.000 1.237 404 L HN 0.532 nan 8.230 nan 0.000 0.442 405 K N 1.469 121.856 120.400 -0.021 0.000 1.991 405 K HA 0.088 4.408 4.320 -0.000 0.000 0.207 405 K C 0.359 176.947 176.600 -0.021 0.000 1.045 405 K CA 1.576 57.852 56.287 -0.017 0.000 0.937 405 K CB 0.039 32.531 32.500 -0.013 0.000 0.720 405 K HN 0.861 nan 8.250 nan 0.000 0.438 406 D N 0.000 120.386 120.400 -0.023 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 nan 54.000 nan 0.000 0.868 406 D CB 0.000 nan 40.800 nan 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683