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 1f91_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.609 32.600 0.015 0.000 1.302 2 K N 2.262 122.669 120.400 0.011 0.000 2.276 2 K HA 0.397 4.717 4.320 -0.000 0.000 0.259 2 K C -0.366 176.237 176.600 0.005 0.000 1.001 2 K CA -0.219 56.073 56.287 0.007 0.000 0.927 2 K CB 0.530 33.032 32.500 0.002 0.000 0.969 2 K HN 0.288 nan 8.250 nan 0.000 0.490 3 R N 0.608 121.109 120.500 0.002 0.000 2.500 3 R HA 0.386 4.726 4.340 -0.000 0.000 0.277 3 R C -0.627 175.666 176.300 -0.012 0.000 1.026 3 R CA -0.704 55.395 56.100 -0.001 0.000 1.058 3 R CB 1.086 31.386 30.300 -0.001 0.000 1.078 3 R HN 0.238 nan 8.270 nan 0.000 0.509 4 V N 2.629 122.533 119.914 -0.017 0.000 2.656 4 V HA 0.505 4.625 4.120 -0.000 0.000 0.307 4 V C -0.253 175.818 176.094 -0.038 0.000 1.051 4 V CA -0.766 61.513 62.300 -0.035 0.000 0.893 4 V CB 1.833 33.629 31.823 -0.044 0.000 0.999 4 V HN 0.644 nan 8.190 nan 0.000 0.426 5 V N 1.768 121.652 119.914 -0.049 0.000 3.141 5 V HA 0.704 4.824 4.120 -0.000 0.000 0.312 5 V C -0.816 175.244 176.094 -0.058 0.000 1.157 5 V CA -0.952 61.321 62.300 -0.046 0.000 1.041 5 V CB 2.401 34.199 31.823 -0.042 0.000 1.071 5 V HN 0.668 nan 8.190 nan 0.000 0.441 6 I N 2.063 122.612 120.570 -0.035 0.000 2.355 6 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 6 I C 0.892 177.047 176.117 0.062 0.000 0.999 6 I CA -0.051 61.233 61.300 -0.025 0.000 1.163 6 I CB 2.177 40.151 38.000 -0.044 0.000 1.316 6 I HN 0.987 nan 8.210 nan 0.000 0.454 7 T N 0.825 115.401 114.554 0.037 0.000 3.129 7 T HA 0.489 4.839 4.350 -0.000 0.000 0.267 7 T C 0.342 175.156 174.700 0.190 0.000 1.018 7 T CA -0.428 61.717 62.100 0.073 0.000 0.903 7 T CB 0.327 69.192 68.868 -0.004 0.000 1.067 7 T HN 0.741 nan 8.240 nan 0.000 0.549 8 G N 1.314 110.235 108.800 0.201 0.000 2.556 8 G HA2 0.534 4.494 3.960 -0.000 0.000 0.294 8 G HA3 0.534 4.494 3.960 -0.000 0.000 0.294 8 G C -2.148 172.740 174.900 -0.019 0.000 1.516 8 G CA -0.857 44.354 45.100 0.185 0.000 0.824 8 G HN 0.733 nan 8.290 nan 0.000 0.535 9 L N -1.404 119.791 121.223 -0.048 0.000 2.518 9 L HA 1.045 5.385 4.340 -0.000 0.000 0.257 9 L C -0.105 176.722 176.870 -0.072 0.000 0.980 9 L CA -0.720 54.039 54.840 -0.135 0.000 0.837 9 L CB 1.758 43.638 42.059 -0.298 0.000 1.410 9 L HN 1.359 nan 8.230 nan 0.000 0.410 10 G N 0.988 109.740 108.800 -0.080 0.000 2.667 10 G HA2 0.814 4.774 3.960 -0.000 0.000 0.298 10 G HA3 0.814 4.774 3.960 -0.000 0.000 0.298 10 G C -1.969 172.895 174.900 -0.061 0.000 1.377 10 G CA -0.716 44.351 45.100 -0.055 0.000 0.964 10 G HN 1.049 nan 8.290 nan 0.000 0.493 11 I N 0.295 120.843 120.570 -0.036 0.000 2.828 11 I HA 0.574 4.744 4.170 -0.000 0.000 0.295 11 I C -1.628 174.475 176.117 -0.022 0.000 1.459 11 I CA -0.903 60.372 61.300 -0.042 0.000 1.015 11 I CB 2.322 40.290 38.000 -0.054 0.000 1.345 11 I HN 0.380 nan 8.210 nan 0.000 0.449 12 V N 6.049 125.936 119.914 -0.045 0.000 2.509 12 V HA 0.560 4.680 4.120 -0.000 0.000 0.289 12 V C -0.364 175.642 176.094 -0.146 0.000 1.026 12 V CA -0.152 62.100 62.300 -0.080 0.000 0.872 12 V CB 1.428 33.204 31.823 -0.078 0.000 1.017 12 V HN 0.851 nan 8.190 nan 0.000 0.436 13 S N 2.320 117.962 115.700 -0.095 0.000 2.806 13 S HA 0.465 4.935 4.470 -0.000 0.000 0.306 13 S C 1.127 175.673 174.600 -0.090 0.000 1.167 13 S CA 0.080 58.226 58.200 -0.089 0.000 0.847 13 S CB 1.676 64.904 63.200 0.048 0.000 1.216 13 S HN 0.866 nan 8.310 nan 0.000 0.532 14 S N 0.267 115.921 115.700 -0.076 0.000 2.469 14 S HA -0.054 4.416 4.470 -0.000 0.000 0.238 14 S C 1.357 175.933 174.600 -0.041 0.000 0.998 14 S CA 1.019 59.175 58.200 -0.072 0.000 0.957 14 S CB -1.141 62.026 63.200 -0.055 0.000 0.764 14 S HN 0.990 nan 8.310 nan 0.000 0.514 15 I N -2.676 117.877 120.570 -0.029 0.000 3.936 15 I HA 0.695 4.865 4.170 -0.000 0.000 0.330 15 I C 0.494 176.596 176.117 -0.025 0.000 1.509 15 I CA -0.503 60.774 61.300 -0.038 0.000 1.126 15 I CB 0.330 38.280 38.000 -0.083 0.000 1.115 15 I HN 0.259 nan 8.210 nan 0.000 0.424 16 G N 1.095 109.886 108.800 -0.014 0.000 2.386 16 G HA2 0.045 4.005 3.960 -0.000 0.000 0.302 16 G HA3 0.045 4.005 3.960 -0.000 0.000 0.302 16 G C -0.891 174.005 174.900 -0.006 0.000 1.629 16 G CA -0.650 44.447 45.100 -0.005 0.000 0.917 16 G HN 0.015 nan 8.290 nan 0.000 0.676 17 N N 0.104 118.801 118.700 -0.005 0.000 2.230 17 N HA 0.123 4.863 4.740 -0.000 0.000 0.202 17 N C 0.280 175.796 175.510 0.010 0.000 1.119 17 N CA 0.571 53.619 53.050 -0.003 0.000 0.851 17 N CB 0.394 38.883 38.487 0.003 0.000 0.990 17 N HN 0.822 nan 8.380 nan 0.000 0.497 18 N N -1.726 116.983 118.700 0.015 0.000 3.185 18 N HA -0.017 4.723 4.740 -0.000 0.000 0.238 18 N C 0.421 175.949 175.510 0.030 0.000 1.451 18 N CA -0.692 52.371 53.050 0.021 0.000 0.888 18 N CB 0.557 39.058 38.487 0.022 0.000 1.413 18 N HN -0.166 nan 8.380 nan 0.000 0.511 19 Q N -1.039 118.783 119.800 0.037 0.000 2.170 19 Q HA -0.179 4.161 4.340 -0.000 0.000 0.203 19 Q C 0.864 176.887 176.000 0.039 0.000 0.976 19 Q CA 1.509 57.344 55.803 0.053 0.000 0.858 19 Q CB -0.315 28.466 28.738 0.071 0.000 0.907 19 Q HN 0.635 nan 8.270 nan 0.000 0.433 20 Q N 1.198 121.012 119.800 0.025 0.000 2.050 20 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 20 Q C 1.854 177.842 176.000 -0.020 0.000 0.980 20 Q CA 2.038 57.839 55.803 -0.004 0.000 0.840 20 Q CB 0.024 28.762 28.738 0.000 0.000 0.898 20 Q HN 0.565 nan 8.270 nan 0.000 0.424 21 E N -0.602 119.594 120.200 -0.007 0.000 2.077 21 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 21 E C 2.003 178.592 176.600 -0.018 0.000 0.989 21 E CA 1.314 57.705 56.400 -0.015 0.000 0.800 21 E CB -0.030 29.666 29.700 -0.007 0.000 0.746 21 E HN 0.133 nan 8.360 nan 0.000 0.452 22 V N 1.613 121.532 119.914 0.008 0.000 2.343 22 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 22 V C 2.349 178.440 176.094 -0.005 0.000 1.051 22 V CA 1.418 63.730 62.300 0.020 0.000 1.036 22 V CB -0.427 31.469 31.823 0.122 0.000 0.654 22 V HN 0.216 nan 8.190 nan 0.000 0.451 23 L N 0.903 122.124 121.223 -0.004 0.000 2.012 23 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 23 L C 2.489 179.288 176.870 -0.119 0.000 1.073 23 L CA 2.490 57.305 54.840 -0.042 0.000 0.748 23 L CB -1.017 40.955 42.059 -0.144 0.000 0.891 23 L HN 0.236 nan 8.230 nan 0.000 0.431 24 A N -1.506 121.245 122.820 -0.114 0.000 1.883 24 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 24 A C 2.398 179.915 177.584 -0.113 0.000 1.186 24 A CA 2.258 54.220 52.037 -0.125 0.000 0.624 24 A CB -1.096 17.852 19.000 -0.087 0.000 0.822 24 A HN 0.552 nan 8.150 nan 0.000 0.444 25 S N -0.154 115.495 115.700 -0.085 0.000 2.356 25 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 25 S C 1.862 176.409 174.600 -0.089 0.000 1.032 25 S CA 1.463 59.614 58.200 -0.083 0.000 1.005 25 S CB -0.506 62.644 63.200 -0.083 0.000 0.867 25 S HN 0.499 nan 8.310 nan 0.000 0.449 26 L N 0.828 122.004 121.223 -0.078 0.000 1.989 26 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 26 L C 2.779 179.656 176.870 0.013 0.000 1.071 26 L CA 1.432 56.269 54.840 -0.006 0.000 0.749 26 L CB -0.489 41.653 42.059 0.139 0.000 0.890 26 L HN 0.221 nan 8.230 nan 0.000 0.431 27 R N 0.011 120.402 120.500 -0.181 0.000 2.105 27 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 27 R C 1.914 178.106 176.300 -0.181 0.000 1.135 27 R CA 1.524 57.393 56.100 -0.384 0.000 0.967 27 R CB -0.059 29.896 30.300 -0.575 0.000 0.861 27 R HN 0.457 nan 8.270 nan 0.000 0.442 28 E N -1.261 118.862 120.200 -0.128 0.000 2.474 28 E HA 0.091 4.441 4.350 -0.000 0.000 0.194 28 E C 0.455 177.023 176.600 -0.053 0.000 1.041 28 E CA 0.297 56.646 56.400 -0.085 0.000 0.874 28 E CB 0.789 30.442 29.700 -0.078 0.000 0.914 28 E HN 0.463 nan 8.360 nan 0.000 0.498 29 G N 2.861 111.634 108.800 -0.046 0.000 2.295 29 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.287 29 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.287 29 G C -0.039 174.838 174.900 -0.038 0.000 1.055 29 G CA 0.532 45.611 45.100 -0.034 0.000 0.922 29 G HN 0.199 nan 8.290 nan 0.000 0.503 30 R N 0.029 120.500 120.500 -0.048 0.000 2.349 30 R HA 0.559 4.899 4.340 -0.000 0.000 0.299 30 R C 0.764 177.040 176.300 -0.040 0.000 1.027 30 R CA 0.141 56.218 56.100 -0.038 0.000 0.958 30 R CB 0.751 31.028 30.300 -0.039 0.000 1.047 30 R HN 0.298 nan 8.270 nan 0.000 0.468 31 S N 1.764 117.451 115.700 -0.022 0.000 2.584 31 S HA 0.288 4.758 4.470 -0.000 0.000 0.273 31 S C 0.822 175.421 174.600 -0.002 0.000 1.311 31 S CA -0.232 57.960 58.200 -0.013 0.000 1.034 31 S CB 1.302 64.504 63.200 0.003 0.000 0.939 31 S HN 0.795 nan 8.310 nan 0.000 0.513 32 G N 3.476 112.277 108.800 0.001 0.000 3.277 32 G HA2 0.229 4.189 3.960 -0.000 0.000 0.243 32 G HA3 0.229 4.189 3.960 -0.000 0.000 0.243 32 G C 0.138 175.068 174.900 0.050 0.000 1.107 32 G CA -0.271 44.835 45.100 0.011 0.000 0.771 32 G HN 0.613 nan 8.290 nan 0.000 0.544 33 I N 2.713 123.326 120.570 0.072 0.000 2.474 33 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 33 I C 0.757 176.973 176.117 0.166 0.000 1.048 33 I CA -0.228 61.150 61.300 0.130 0.000 1.383 33 I CB 0.329 38.395 38.000 0.111 0.000 1.412 33 I HN 0.092 nan 8.210 nan 0.000 0.531 34 T N 2.604 117.313 114.554 0.257 0.000 2.838 34 T HA 0.546 4.896 4.350 -0.000 0.000 0.292 34 T C -0.590 174.265 174.700 0.258 0.000 1.113 34 T CA -0.744 61.513 62.100 0.261 0.000 1.008 34 T CB 1.682 70.718 68.868 0.280 0.000 1.259 34 T HN 0.211 nan 8.240 nan 0.000 0.520 35 F N 1.580 121.580 119.950 0.083 0.000 2.412 35 F HA 0.588 5.115 4.527 -0.000 0.000 0.348 35 F C 0.451 176.164 175.800 -0.145 0.000 1.102 35 F CA -0.225 57.766 58.000 -0.014 0.000 1.196 35 F CB 1.096 40.096 39.000 -0.000 0.000 1.144 35 F HN 0.668 nan 8.300 nan 0.000 0.541 36 S N 4.945 119.902 115.700 -1.239 0.000 2.498 36 S HA 0.181 4.651 4.470 -0.000 0.000 0.324 36 S C 0.604 174.460 174.600 -1.241 0.000 1.071 36 S CA -0.681 56.715 58.200 -1.340 0.000 1.113 36 S CB 1.217 63.066 63.200 -2.252 0.000 0.976 36 S HN 0.879 nan 8.310 nan 0.000 0.462 37 Q N 3.597 123.027 119.800 -0.617 0.000 2.124 37 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 37 Q C 1.768 177.554 176.000 -0.355 0.000 0.977 37 Q CA 2.246 57.873 55.803 -0.294 0.000 0.850 37 Q CB -0.235 28.502 28.738 -0.003 0.000 0.901 37 Q HN 0.915 nan 8.270 nan 0.000 0.429 38 E N -0.565 119.418 120.200 -0.363 0.000 2.085 38 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 38 E C 1.836 178.254 176.600 -0.303 0.000 0.994 38 E CA 1.293 57.548 56.400 -0.241 0.000 0.801 38 E CB -0.164 29.503 29.700 -0.055 0.000 0.743 38 E HN 0.448 nan 8.360 nan 0.000 0.453 39 L N 0.598 121.530 121.223 -0.484 0.000 2.027 39 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 39 L C 2.864 179.526 176.870 -0.348 0.000 1.074 39 L CA 1.472 56.115 54.840 -0.327 0.000 0.745 39 L CB -0.593 41.243 42.059 -0.373 0.000 0.898 39 L HN 0.171 nan 8.230 nan 0.000 0.433 40 K N 0.304 120.353 120.400 -0.586 0.000 2.032 40 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 40 K C 1.677 178.047 176.600 -0.383 0.000 1.048 40 K CA 1.862 57.713 56.287 -0.727 0.000 0.927 40 K CB -0.016 32.022 32.500 -0.770 0.000 0.712 40 K HN 0.236 nan 8.250 nan 0.000 0.441 41 D N 0.234 120.447 120.400 -0.311 0.000 2.218 41 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 41 D C 1.907 178.024 176.300 -0.305 0.000 0.976 41 D CA 1.449 55.299 54.000 -0.249 0.000 0.853 41 D CB -0.072 40.602 40.800 -0.210 0.000 0.939 41 D HN 0.367 nan 8.370 nan 0.000 0.481 42 S N -0.671 114.806 115.700 -0.372 0.000 2.474 42 S HA 0.085 4.555 4.470 -0.000 0.000 0.235 42 S C 1.760 176.178 174.600 -0.304 0.000 0.997 42 S CA 1.114 59.006 58.200 -0.514 0.000 0.949 42 S CB 0.166 63.051 63.200 -0.526 0.000 0.766 42 S HN 0.319 nan 8.310 nan 0.000 0.517 43 G N 0.419 109.106 108.800 -0.189 0.000 2.163 43 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 43 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 43 G C 0.000 174.895 174.900 -0.009 0.000 0.991 43 G CA 0.070 45.115 45.100 -0.093 0.000 0.653 43 G HN 0.484 nan 8.290 nan 0.000 0.518 44 M N -0.461 119.148 119.600 0.014 0.000 2.202 44 M HA 0.426 4.906 4.480 -0.000 0.000 0.316 44 M C 1.847 178.257 176.300 0.183 0.000 1.138 44 M CA 0.026 55.381 55.300 0.093 0.000 1.151 44 M CB 0.552 33.214 32.600 0.103 0.000 1.422 44 M HN 0.154 nan 8.290 nan 0.000 0.471 45 R N -0.410 120.146 120.500 0.093 0.000 2.189 45 R HA 0.109 4.449 4.340 -0.000 0.000 0.203 45 R C 0.429 176.600 176.300 -0.214 0.000 1.012 45 R CA 0.194 56.282 56.100 -0.021 0.000 1.015 45 R CB 0.267 30.548 30.300 -0.033 0.000 0.938 45 R HN 0.560 nan 8.270 nan 0.000 0.472 46 S N 0.385 116.051 115.700 -0.056 0.000 2.452 46 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 46 S C -0.077 174.552 174.600 0.048 0.000 1.171 46 S CA -0.548 57.604 58.200 -0.081 0.000 1.064 46 S CB 0.349 63.526 63.200 -0.038 0.000 0.967 46 S HN 0.342 nan 8.310 nan 0.000 0.484 47 H N 2.804 121.798 119.070 -0.127 0.000 2.512 47 H HA 0.322 4.878 4.556 -0.000 0.000 0.276 47 H C 0.002 175.076 175.328 -0.423 0.000 1.126 47 H CA -0.597 55.250 56.048 -0.334 0.000 1.060 47 H CB 0.574 30.175 29.762 -0.268 0.000 1.646 47 H HN 0.461 nan 8.280 nan 0.000 0.571 48 V N -1.648 118.205 119.914 -0.102 0.000 2.864 48 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 48 V C -1.249 174.911 176.094 0.110 0.000 1.073 48 V CA -0.902 61.377 62.300 -0.034 0.000 0.956 48 V CB 2.198 34.076 31.823 0.092 0.000 1.023 48 V HN 0.398 nan 8.190 nan 0.000 0.435 49 W N 0.980 122.286 121.300 0.011 0.000 3.059 49 W HA 0.804 5.464 4.660 -0.000 0.000 0.329 49 W C -0.418 176.116 176.519 0.025 0.000 1.246 49 W CA -1.663 55.694 57.345 0.020 0.000 1.190 49 W CB 0.809 30.277 29.460 0.014 0.000 1.423 49 W HN 1.043 nan 8.180 nan 0.000 0.571 50 G N 2.143 111.037 108.800 0.157 0.000 2.741 50 G HA2 0.414 4.374 3.960 -0.000 0.000 0.336 50 G HA3 0.414 4.374 3.960 -0.000 0.000 0.336 50 G C -0.498 174.258 174.900 -0.240 0.000 1.022 50 G CA -0.856 44.242 45.100 -0.004 0.000 1.193 50 G HN 0.613 nan 8.290 nan 0.000 0.455 51 N N 0.244 118.710 118.700 -0.390 0.000 2.508 51 N HA 0.440 5.180 4.740 -0.000 0.000 0.285 51 N C -0.457 174.869 175.510 -0.306 0.000 1.144 51 N CA -0.942 51.771 53.050 -0.562 0.000 0.978 51 N CB 2.141 40.160 38.487 -0.780 0.000 1.180 51 N HN -0.004 nan 8.380 nan 0.000 0.484 52 V N 1.627 121.345 119.914 -0.327 0.000 2.439 52 V HA 0.031 4.151 4.120 -0.000 0.000 0.271 52 V C 0.361 176.375 176.094 -0.134 0.000 1.040 52 V CA -0.330 61.814 62.300 -0.261 0.000 1.002 52 V CB 0.483 32.056 31.823 -0.417 0.000 1.000 52 V HN 0.696 nan 8.190 nan 0.000 0.477 53 K N 5.935 126.286 120.400 -0.081 0.000 2.502 53 K HA 0.422 4.742 4.320 -0.000 0.000 0.244 53 K C -0.815 175.781 176.600 -0.007 0.000 1.249 53 K CA -0.252 56.021 56.287 -0.025 0.000 1.193 53 K CB 0.141 32.636 32.500 -0.009 0.000 1.674 53 K HN 0.434 nan 8.250 nan 0.000 0.302 54 L N 0.360 121.586 121.223 0.006 0.000 2.549 54 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 54 L C -1.775 175.127 176.870 0.054 0.000 0.934 54 L CA -0.555 54.303 54.840 0.030 0.000 0.865 54 L CB 2.294 44.372 42.059 0.031 0.000 1.352 54 L HN 0.132 nan 8.230 nan 0.000 0.410 55 D N 1.616 122.045 120.400 0.048 0.000 2.347 55 D HA 0.328 4.968 4.640 -0.000 0.000 0.235 55 D C 0.988 177.319 176.300 0.051 0.000 1.149 55 D CA 0.508 54.537 54.000 0.048 0.000 0.850 55 D CB 1.414 42.236 40.800 0.037 0.000 1.061 55 D HN 0.710 nan 8.370 nan 0.000 0.487 56 T N -0.108 114.480 114.554 0.057 0.000 3.067 56 T HA -0.014 4.336 4.350 -0.000 0.000 0.261 56 T C 0.901 175.610 174.700 0.016 0.000 1.110 56 T CA -0.120 62.010 62.100 0.050 0.000 1.113 56 T CB -0.547 68.352 68.868 0.052 0.000 0.917 56 T HN 0.343 nan 8.240 nan 0.000 0.499 57 T N 2.476 117.036 114.554 0.009 0.000 2.777 57 T HA 0.305 4.655 4.350 -0.000 0.000 0.273 57 T C 1.593 176.287 174.700 -0.009 0.000 1.016 57 T CA 1.011 63.107 62.100 -0.007 0.000 1.156 57 T CB -0.344 68.524 68.868 -0.000 0.000 1.019 57 T HN 0.789 nan 8.240 nan 0.000 0.503 58 G N 2.595 111.379 108.800 -0.027 0.000 2.205 58 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.269 58 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.269 58 G C 0.812 175.705 174.900 -0.013 0.000 0.977 58 G CA 0.492 45.577 45.100 -0.025 0.000 0.652 58 G HN 0.726 nan 8.290 nan 0.000 0.539 59 L N -0.528 120.693 121.223 -0.003 0.000 2.554 59 L HA 0.374 4.714 4.340 -0.000 0.000 0.226 59 L C 1.097 177.983 176.870 0.025 0.000 1.137 59 L CA 0.590 55.448 54.840 0.029 0.000 0.863 59 L CB -0.023 42.071 42.059 0.057 0.000 0.985 59 L HN 0.303 nan 8.230 nan 0.000 0.451 60 I N -1.309 119.230 120.570 -0.052 0.000 2.686 60 I HA 0.168 4.338 4.170 -0.000 0.000 0.295 60 I C -0.563 175.464 176.117 -0.151 0.000 1.114 60 I CA -0.974 60.242 61.300 -0.141 0.000 1.038 60 I CB 2.379 40.175 38.000 -0.340 0.000 1.238 60 I HN -0.209 nan 8.210 nan 0.000 0.420 61 D N 3.776 124.088 120.400 -0.146 0.000 2.525 61 D HA 0.011 4.651 4.640 -0.000 0.000 0.235 61 D C 1.316 177.521 176.300 -0.159 0.000 1.137 61 D CA 0.478 54.405 54.000 -0.122 0.000 0.868 61 D CB 0.995 41.736 40.800 -0.099 0.000 1.180 61 D HN 0.394 nan 8.370 nan 0.000 0.465 62 R N 2.844 123.264 120.500 -0.134 0.000 2.117 62 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 62 R C 1.712 177.889 176.300 -0.204 0.000 1.143 62 R CA 1.239 57.241 56.100 -0.163 0.000 0.968 62 R CB -0.129 30.094 30.300 -0.128 0.000 0.863 62 R HN 0.501 nan 8.270 nan 0.000 0.444 63 K N 0.188 120.496 120.400 -0.154 0.000 2.283 63 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 63 K C 1.939 178.473 176.600 -0.111 0.000 1.048 63 K CA 0.839 57.042 56.287 -0.139 0.000 0.948 63 K CB 0.214 32.678 32.500 -0.060 0.000 0.742 63 K HN 0.035 nan 8.250 nan 0.000 0.458 64 V N 0.017 119.851 119.914 -0.133 0.000 2.492 64 V HA -0.103 4.017 4.120 -0.000 0.000 0.241 64 V C 1.895 177.880 176.094 -0.181 0.000 1.041 64 V CA 0.844 63.077 62.300 -0.112 0.000 1.057 64 V CB 0.388 32.070 31.823 -0.235 0.000 0.711 64 V HN 0.070 nan 8.190 nan 0.000 0.468 65 V N 2.386 122.126 119.914 -0.290 0.000 2.913 65 V HA -0.203 3.917 4.120 -0.000 0.000 0.260 65 V C 2.684 178.574 176.094 -0.340 0.000 1.098 65 V CA 2.120 64.233 62.300 -0.310 0.000 1.121 65 V CB -0.676 30.974 31.823 -0.287 0.000 0.714 65 V HN 0.721 nan 8.190 nan 0.000 0.487 66 R N -1.162 119.054 120.500 -0.473 0.000 2.241 66 R HA -0.092 4.248 4.340 -0.000 0.000 0.224 66 R C 1.744 177.539 176.300 -0.841 0.000 1.101 66 R CA 1.934 57.578 56.100 -0.760 0.000 0.995 66 R CB -0.636 28.981 30.300 -1.139 0.000 0.870 66 R HN 0.514 nan 8.270 nan 0.000 0.463 67 F N 0.798 120.506 119.950 -0.404 0.000 2.749 67 F HA 0.338 4.865 4.527 0.000 0.000 0.300 67 F C 0.859 176.503 175.800 -0.260 0.000 1.103 67 F CA -0.390 57.456 58.000 -0.256 0.000 1.342 67 F CB 0.272 39.179 39.000 -0.156 0.000 1.098 67 F HN -0.118 nan 8.300 nan 0.000 0.586 68 M N -0.059 119.447 119.600 -0.157 0.000 2.367 68 M HA 0.321 4.801 4.480 -0.000 0.000 0.339 68 M C 0.396 176.512 176.300 -0.306 0.000 1.177 68 M CA -0.618 54.565 55.300 -0.194 0.000 1.068 68 M CB 1.548 34.038 32.600 -0.184 0.000 1.602 68 M HN -0.041 nan 8.290 nan 0.000 0.457 69 S N -0.432 115.131 115.700 -0.229 0.000 2.745 69 S HA 0.354 4.824 4.470 -0.000 0.000 0.292 69 S C 0.278 174.796 174.600 -0.137 0.000 1.133 69 S CA -0.849 57.261 58.200 -0.151 0.000 0.998 69 S CB 1.109 64.296 63.200 -0.021 0.000 1.087 69 S HN 0.671 nan 8.310 nan 0.000 0.551 70 D N 1.020 121.346 120.400 -0.124 0.000 2.144 70 D HA -0.040 4.600 4.640 -0.000 0.000 0.199 70 D C 2.170 178.123 176.300 -0.578 0.000 0.984 70 D CA 1.705 55.441 54.000 -0.441 0.000 0.834 70 D CB -0.841 39.718 40.800 -0.402 0.000 0.955 70 D HN 0.673 nan 8.370 nan 0.000 0.465 71 A N 0.628 123.330 122.820 -0.197 0.000 1.908 71 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 71 A C 2.465 180.033 177.584 -0.027 0.000 1.181 71 A CA 1.984 54.002 52.037 -0.031 0.000 0.627 71 A CB -0.587 18.437 19.000 0.041 0.000 0.818 71 A HN 0.180 nan 8.150 nan 0.000 0.445 72 S N -0.266 115.402 115.700 -0.052 0.000 2.383 72 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 72 S C 1.796 176.409 174.600 0.021 0.000 1.026 72 S CA 1.368 59.569 58.200 0.003 0.000 0.981 72 S CB -0.478 62.710 63.200 -0.019 0.000 0.818 72 S HN 0.537 nan 8.310 nan 0.000 0.472 73 I N 0.432 120.929 120.570 -0.121 0.000 2.179 73 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 73 I C 2.073 178.239 176.117 0.083 0.000 1.088 73 I CA 1.332 62.575 61.300 -0.095 0.000 1.357 73 I CB -0.424 37.423 38.000 -0.254 0.000 1.051 73 I HN 0.258 nan 8.210 nan 0.000 0.409 74 Y N 0.771 121.115 120.300 0.073 0.000 2.181 74 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 74 Y C 2.660 178.603 175.900 0.071 0.000 1.146 74 Y CA 0.752 58.887 58.100 0.058 0.000 1.164 74 Y CB -1.386 37.086 38.460 0.020 0.000 0.982 74 Y HN 0.117 nan 8.280 nan 0.000 0.515 75 A N -0.425 122.533 122.820 0.230 0.000 1.898 75 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 75 A C 2.205 179.875 177.584 0.144 0.000 1.181 75 A CA 1.322 53.444 52.037 0.141 0.000 0.620 75 A CB -1.349 17.716 19.000 0.108 0.000 0.819 75 A HN 0.435 nan 8.150 nan 0.000 0.442 76 F N 0.639 120.634 119.950 0.076 0.000 2.095 76 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 76 F C 1.943 177.817 175.800 0.123 0.000 1.104 76 F CA 1.888 59.966 58.000 0.130 0.000 1.232 76 F CB -0.216 38.846 39.000 0.104 0.000 0.987 76 F HN 0.142 nan 8.300 nan 0.000 0.475 77 L N -0.698 120.724 121.223 0.332 0.000 2.083 77 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 77 L C 2.473 179.372 176.870 0.048 0.000 1.083 77 L CA 1.419 56.382 54.840 0.205 0.000 0.752 77 L CB -0.885 41.309 42.059 0.224 0.000 0.899 77 L HN 0.085 nan 8.230 nan 0.000 0.433 78 S N -0.590 115.131 115.700 0.035 0.000 2.402 78 S HA -0.170 4.300 4.470 -0.000 0.000 0.229 78 S C 1.902 176.435 174.600 -0.111 0.000 1.021 78 S CA 1.278 59.462 58.200 -0.026 0.000 0.974 78 S CB -0.144 63.047 63.200 -0.015 0.000 0.800 78 S HN 0.354 nan 8.310 nan 0.000 0.484 79 M N 1.311 120.786 119.600 -0.208 0.000 2.156 79 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 79 M C 1.955 177.978 176.300 -0.462 0.000 1.067 79 M CA 1.342 56.392 55.300 -0.417 0.000 1.131 79 M CB -0.121 32.050 32.600 -0.716 0.000 1.368 79 M HN 0.236 nan 8.290 nan 0.000 0.416 80 E N -0.083 119.906 120.200 -0.353 0.000 2.058 80 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 80 E C 2.026 178.555 176.600 -0.120 0.000 0.997 80 E CA 1.723 58.005 56.400 -0.197 0.000 0.801 80 E CB -0.204 29.458 29.700 -0.062 0.000 0.746 80 E HN 0.658 nan 8.360 nan 0.000 0.450 81 Q N 0.081 119.833 119.800 -0.081 0.000 2.061 81 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 81 Q C 2.260 178.238 176.000 -0.038 0.000 0.984 81 Q CA 1.457 57.239 55.803 -0.034 0.000 0.846 81 Q CB -0.217 28.510 28.738 -0.018 0.000 0.902 81 Q HN 0.248 nan 8.270 nan 0.000 0.421 82 A N 0.737 123.515 122.820 -0.071 0.000 1.933 82 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 82 A C 2.014 179.585 177.584 -0.022 0.000 1.175 82 A CA 1.177 53.191 52.037 -0.039 0.000 0.628 82 A CB -0.628 18.348 19.000 -0.041 0.000 0.814 82 A HN 0.322 nan 8.150 nan 0.000 0.444 83 I N -0.489 120.019 120.570 -0.103 0.000 2.252 83 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 83 I C 2.978 179.084 176.117 -0.018 0.000 1.102 83 I CA 1.023 62.257 61.300 -0.109 0.000 1.385 83 I CB -0.336 37.468 38.000 -0.328 0.000 1.064 83 I HN 0.368 nan 8.210 nan 0.000 0.414 84 A N 0.366 123.180 122.820 -0.009 0.000 1.873 84 A HA -0.291 4.029 4.320 -0.000 0.000 0.215 84 A C 1.999 179.611 177.584 0.047 0.000 1.186 84 A CA 2.246 54.301 52.037 0.029 0.000 0.616 84 A CB -0.751 18.265 19.000 0.028 0.000 0.823 84 A HN 0.429 nan 8.150 nan 0.000 0.442 85 D N -0.247 120.187 120.400 0.056 0.000 2.218 85 D HA -0.003 4.637 4.640 -0.000 0.000 0.204 85 D C 1.712 178.086 176.300 0.122 0.000 0.976 85 D CA 1.327 55.388 54.000 0.102 0.000 0.853 85 D CB -0.124 40.757 40.800 0.136 0.000 0.939 85 D HN 0.348 nan 8.370 nan 0.000 0.481 86 A N -0.821 122.053 122.820 0.090 0.000 2.208 86 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 86 A C 1.802 179.427 177.584 0.069 0.000 1.161 86 A CA 0.853 52.939 52.037 0.081 0.000 0.782 86 A CB -0.517 18.505 19.000 0.038 0.000 0.816 86 A HN 0.410 nan 8.150 nan 0.000 0.477 87 G N -0.809 108.031 108.800 0.067 0.000 2.198 87 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 87 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 87 G C -0.019 174.930 174.900 0.081 0.000 1.025 87 G CA 0.500 45.638 45.100 0.063 0.000 0.769 87 G HN 0.458 nan 8.290 nan 0.000 0.507 88 L N 0.370 121.656 121.223 0.105 0.000 2.325 88 L HA 0.665 5.005 4.340 -0.000 0.000 0.279 88 L C 0.600 177.607 176.870 0.229 0.000 1.054 88 L CA -0.601 54.342 54.840 0.172 0.000 0.804 88 L CB 1.834 44.020 42.059 0.212 0.000 1.200 88 L HN 0.148 nan 8.230 nan 0.000 0.436 89 S N 1.905 117.745 115.700 0.233 0.000 2.568 89 S HA 0.392 4.862 4.470 -0.000 0.000 0.302 89 S C -1.812 172.869 174.600 0.134 0.000 1.082 89 S CA -1.138 57.177 58.200 0.191 0.000 1.009 89 S CB 2.154 65.408 63.200 0.089 0.000 1.069 89 S HN 0.379 nan 8.310 nan 0.000 0.500 90 P HA -0.251 nan 4.420 nan 0.000 0.218 90 P C 1.410 178.456 177.300 -0.422 0.000 1.165 90 P CA 1.409 64.268 63.100 -0.401 0.000 0.922 90 P CB 0.007 31.604 31.700 -0.172 0.000 0.794 91 E N -0.347 119.743 120.200 -0.182 0.000 2.463 91 E HA -0.118 4.232 4.350 -0.000 0.000 0.201 91 E C 1.572 178.116 176.600 -0.093 0.000 1.045 91 E CA 1.532 57.851 56.400 -0.134 0.000 0.872 91 E CB -0.974 28.686 29.700 -0.067 0.000 0.797 91 E HN 0.257 nan 8.360 nan 0.000 0.538 92 A N 0.450 123.238 122.820 -0.053 0.000 2.095 92 A HA 0.051 4.371 4.320 -0.000 0.000 0.212 92 A C 1.524 179.187 177.584 0.132 0.000 1.162 92 A CA 0.703 52.779 52.037 0.065 0.000 0.753 92 A CB -0.354 18.730 19.000 0.140 0.000 0.840 92 A HN 0.431 nan 8.150 nan 0.000 0.468 93 Y N -1.921 118.426 120.300 0.077 0.000 2.432 93 Y HA 0.465 5.015 4.550 -0.000 0.000 0.252 93 Y C 0.467 176.399 175.900 0.053 0.000 1.097 93 Y CA -0.729 57.435 58.100 0.107 0.000 1.250 93 Y CB -0.166 38.427 38.460 0.223 0.000 1.245 93 Y HN 0.146 nan 8.280 nan 0.000 0.522 94 Q N 2.024 121.550 119.800 -0.457 0.000 2.230 94 Q HA 0.231 4.571 4.340 -0.000 0.000 0.248 94 Q C -0.151 175.669 176.000 -0.300 0.000 0.915 94 Q CA -0.579 55.007 55.803 -0.362 0.000 0.900 94 Q CB 0.613 29.077 28.738 -0.458 0.000 1.229 94 Q HN 0.344 nan 8.270 nan 0.000 0.439 95 N N 1.871 120.279 118.700 -0.487 0.000 2.710 95 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 95 N C -0.987 174.309 175.510 -0.358 0.000 1.059 95 N CA 0.717 53.272 53.050 -0.825 0.000 0.720 95 N CB -0.933 37.310 38.487 -0.406 0.000 0.983 95 N HN 0.564 nan 8.380 nan 0.000 0.544 96 N N 0.217 118.803 118.700 -0.189 0.000 2.483 96 N HA 0.294 5.034 4.740 -0.000 0.000 0.267 96 N C -1.912 173.651 175.510 0.087 0.000 0.998 96 N CA -1.897 51.151 53.050 -0.003 0.000 0.918 96 N CB 1.642 40.141 38.487 0.020 0.000 1.215 96 N HN -0.175 nan 8.380 nan 0.000 0.500 97 P HA -0.032 nan 4.420 nan 0.000 0.219 97 P C 0.744 178.087 177.300 0.072 0.000 1.146 97 P CA 0.961 64.133 63.100 0.119 0.000 0.808 97 P CB 0.399 32.155 31.700 0.094 0.000 0.779 98 R N -0.990 119.540 120.500 0.050 0.000 2.310 98 R HA 0.162 4.502 4.340 -0.000 0.000 0.202 98 R C -0.004 176.291 176.300 -0.008 0.000 0.933 98 R CA 0.194 56.302 56.100 0.013 0.000 1.054 98 R CB -0.231 30.071 30.300 0.003 0.000 0.985 98 R HN 0.159 nan 8.270 nan 0.000 0.489 99 V N 0.294 120.230 119.914 0.037 0.000 2.409 99 V HA 0.630 4.750 4.120 -0.000 0.000 0.291 99 V C 0.520 176.669 176.094 0.092 0.000 1.020 99 V CA -0.754 61.578 62.300 0.054 0.000 0.848 99 V CB 1.698 33.609 31.823 0.146 0.000 0.990 99 V HN 0.277 nan 8.190 nan 0.000 0.430 100 G N 3.195 112.026 108.800 0.051 0.000 3.140 100 G HA2 0.841 4.801 3.960 -0.000 0.000 0.271 100 G HA3 0.841 4.801 3.960 -0.000 0.000 0.271 100 G C -1.710 173.243 174.900 0.090 0.000 1.370 100 G CA -0.772 44.356 45.100 0.046 0.000 1.014 100 G HN 0.712 nan 8.290 nan 0.000 0.541 101 L N -0.319 120.903 121.223 -0.002 0.000 2.505 101 L HA 0.691 5.031 4.340 -0.000 0.000 0.266 101 L C -1.574 175.216 176.870 -0.133 0.000 0.954 101 L CA -0.728 54.114 54.840 0.002 0.000 0.852 101 L CB 1.772 43.849 42.059 0.032 0.000 1.282 101 L HN 0.436 nan 8.230 nan 0.000 0.403 102 I N 5.362 125.860 120.570 -0.119 0.000 2.493 102 I HA 0.705 4.875 4.170 -0.000 0.000 0.279 102 I C -0.480 175.613 176.117 -0.040 0.000 1.045 102 I CA -0.274 60.936 61.300 -0.150 0.000 1.106 102 I CB 1.666 39.556 38.000 -0.183 0.000 1.216 102 I HN 0.674 nan 8.210 nan 0.000 0.459 103 A N 4.212 127.032 122.820 -0.001 0.000 2.515 103 A HA 0.987 5.307 4.320 -0.000 0.000 0.298 103 A C -0.568 177.046 177.584 0.051 0.000 1.059 103 A CA -0.478 51.572 52.037 0.022 0.000 0.698 103 A CB 1.975 20.984 19.000 0.015 0.000 1.289 103 A HN 0.725 nan 8.150 nan 0.000 0.404 104 G N -0.363 108.469 108.800 0.054 0.000 2.721 104 G HA2 0.808 4.768 3.960 -0.000 0.000 0.296 104 G HA3 0.808 4.768 3.960 -0.000 0.000 0.296 104 G C -0.565 174.370 174.900 0.057 0.000 1.383 104 G CA 0.201 45.340 45.100 0.066 0.000 0.788 104 G HN 1.864 nan 8.290 nan 0.000 0.500 105 S N -2.098 113.638 115.700 0.060 0.000 2.661 105 S HA 0.700 5.169 4.470 -0.000 0.000 0.285 105 S C 0.933 175.567 174.600 0.056 0.000 1.138 105 S CA 0.243 58.477 58.200 0.055 0.000 0.855 105 S CB 1.530 64.765 63.200 0.059 0.000 1.136 105 S HN 1.502 nan 8.310 nan 0.000 0.484 106 G N -0.353 108.476 108.800 0.048 0.000 2.492 106 G HA2 0.355 4.315 3.960 -0.000 0.000 0.214 106 G HA3 0.355 4.315 3.960 -0.000 0.000 0.214 106 G C 0.859 175.798 174.900 0.065 0.000 1.147 106 G CA 0.347 45.478 45.100 0.052 0.000 0.809 106 G HN 1.203 nan 8.290 nan 0.000 0.533 107 G N -1.193 107.647 108.800 0.068 0.000 3.441 107 G HA2 0.461 4.421 3.960 -0.000 0.000 0.263 107 G HA3 0.461 4.421 3.960 -0.000 0.000 0.263 107 G C 1.051 175.988 174.900 0.062 0.000 1.014 107 G CA 0.812 45.953 45.100 0.068 0.000 0.833 107 G HN 1.096 nan 8.290 nan 0.000 0.514 108 G N 0.414 109.251 108.800 0.062 0.000 2.595 108 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.297 108 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.297 108 G C 0.434 175.377 174.900 0.072 0.000 1.181 108 G CA 0.827 45.964 45.100 0.063 0.000 0.963 108 G HN 1.499 nan 8.290 nan 0.000 0.541 109 S N 1.437 117.188 115.700 0.085 0.000 2.356 109 S HA 0.631 5.101 4.470 -0.000 0.000 0.171 109 S C -1.377 173.279 174.600 0.092 0.000 1.399 109 S CA 0.225 58.495 58.200 0.116 0.000 1.225 109 S CB 1.613 64.935 63.200 0.204 0.000 1.271 109 S HN 0.260 nan 8.310 nan 0.000 0.427 110 P HA -0.128 nan 4.420 nan 0.000 0.216 110 P C 1.563 178.815 177.300 -0.079 0.000 1.150 110 P CA 0.793 63.877 63.100 -0.027 0.000 0.843 110 P CB 0.115 31.779 31.700 -0.061 0.000 0.787 111 R N -0.843 119.585 120.500 -0.120 0.000 2.096 111 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 111 R C 1.879 178.034 176.300 -0.241 0.000 1.139 111 R CA 1.821 57.769 56.100 -0.253 0.000 0.952 111 R CB -0.988 29.112 30.300 -0.332 0.000 0.854 111 R HN 0.114 nan 8.270 nan 0.000 0.436 112 F N 0.495 120.460 119.950 0.025 0.000 2.558 112 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 112 F C 2.473 178.360 175.800 0.146 0.000 1.119 112 F CA 0.733 58.800 58.000 0.110 0.000 1.451 112 F CB 0.035 39.069 39.000 0.055 0.000 1.091 112 F HN 0.145 nan 8.300 nan 0.000 0.563 113 Q N -0.270 119.650 119.800 0.200 0.000 2.123 113 Q HA -0.128 4.212 4.340 -0.000 0.000 0.199 113 Q C 2.338 178.390 176.000 0.088 0.000 0.966 113 Q CA 1.355 57.237 55.803 0.131 0.000 0.845 113 Q CB -0.114 28.669 28.738 0.075 0.000 0.907 113 Q HN 0.256 nan 8.270 nan 0.000 0.439 114 V N 0.371 120.311 119.914 0.043 0.000 2.379 114 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 114 V C 1.851 177.974 176.094 0.048 0.000 1.044 114 V CA 1.535 63.842 62.300 0.011 0.000 1.036 114 V CB -0.577 31.206 31.823 -0.067 0.000 0.664 114 V HN 0.368 nan 8.190 nan 0.000 0.453 115 F N 2.292 122.209 119.950 -0.055 0.000 2.126 115 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 115 F C 2.136 177.960 175.800 0.039 0.000 1.096 115 F CA 1.820 59.804 58.000 -0.027 0.000 1.255 115 F CB -0.850 38.107 39.000 -0.072 0.000 0.997 115 F HN 0.137 nan 8.300 nan 0.000 0.479 116 G N -0.407 108.389 108.800 -0.006 0.000 2.402 116 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 116 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 116 G C 1.811 176.624 174.900 -0.145 0.000 1.162 116 G CA 0.777 45.812 45.100 -0.107 0.000 0.777 116 G HN 0.638 nan 8.290 nan 0.000 0.539 117 A N 1.082 123.859 122.820 -0.073 0.000 1.898 117 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 117 A C 2.107 179.637 177.584 -0.090 0.000 1.181 117 A CA 2.087 54.090 52.037 -0.058 0.000 0.620 117 A CB -0.401 18.588 19.000 -0.018 0.000 0.819 117 A HN 0.265 nan 8.150 nan 0.000 0.442 118 D N 0.140 120.471 120.400 -0.114 0.000 2.097 118 D HA -0.043 4.597 4.640 -0.000 0.000 0.195 118 D C 2.289 178.484 176.300 -0.175 0.000 0.989 118 D CA 1.603 55.538 54.000 -0.108 0.000 0.827 118 D CB -0.546 40.210 40.800 -0.073 0.000 0.966 118 D HN 0.393 nan 8.370 nan 0.000 0.456 119 A N 0.789 123.401 122.820 -0.347 0.000 1.865 119 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 119 A C 2.183 179.654 177.584 -0.189 0.000 1.191 119 A CA 2.177 54.000 52.037 -0.357 0.000 0.623 119 A CB -0.673 17.938 19.000 -0.649 0.000 0.826 119 A HN 0.188 nan 8.150 nan 0.000 0.444 120 M N -0.128 119.375 119.600 -0.161 0.000 2.149 120 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 120 M C 1.829 178.090 176.300 -0.064 0.000 1.064 120 M CA 1.613 56.858 55.300 -0.091 0.000 1.102 120 M CB -0.425 32.133 32.600 -0.070 0.000 1.369 120 M HN 0.368 nan 8.290 nan 0.000 0.408 121 R N 0.033 120.495 120.500 -0.063 0.000 2.323 121 R HA 0.185 4.525 4.340 -0.000 0.000 0.198 121 R C 0.921 177.199 176.300 -0.037 0.000 0.988 121 R CA 0.270 56.346 56.100 -0.040 0.000 1.041 121 R CB -0.477 29.805 30.300 -0.030 0.000 0.926 121 R HN 0.472 nan 8.270 nan 0.000 0.476 122 G N 0.906 109.677 108.800 -0.050 0.000 2.535 122 G HA2 0.158 4.118 3.960 -0.000 0.000 0.303 122 G HA3 0.158 4.118 3.960 -0.000 0.000 0.303 122 G C -1.507 173.376 174.900 -0.028 0.000 1.237 122 G CA -1.067 44.010 45.100 -0.038 0.000 0.986 122 G HN -0.093 nan 8.290 nan 0.000 0.494 123 P HA -0.082 nan 4.420 nan 0.000 0.221 123 P C 1.134 178.427 177.300 -0.013 0.000 1.145 123 P CA 0.755 63.848 63.100 -0.012 0.000 0.795 123 P CB 0.366 32.062 31.700 -0.006 0.000 0.775 124 R N -0.954 119.536 120.500 -0.017 0.000 2.265 124 R HA 0.182 4.522 4.340 -0.000 0.000 0.194 124 R C 1.737 178.024 176.300 -0.022 0.000 0.931 124 R CA 0.799 56.890 56.100 -0.015 0.000 1.032 124 R CB -0.596 29.698 30.300 -0.009 0.000 0.980 124 R HN 0.228 nan 8.270 nan 0.000 0.497 125 G N 1.903 110.682 108.800 -0.034 0.000 2.596 125 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.295 125 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.295 125 G C 0.944 175.820 174.900 -0.040 0.000 1.240 125 G CA 0.428 45.506 45.100 -0.037 0.000 0.985 125 G HN 0.241 nan 8.290 nan 0.000 0.555 126 L N 0.346 121.551 121.223 -0.030 0.000 2.129 126 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 126 L C 3.021 179.878 176.870 -0.021 0.000 1.087 126 L CA 2.299 57.123 54.840 -0.026 0.000 0.757 126 L CB -0.492 41.554 42.059 -0.021 0.000 0.896 126 L HN 0.559 nan 8.230 nan 0.000 0.434 127 K N -0.135 120.256 120.400 -0.016 0.000 2.097 127 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 127 K C 2.226 178.832 176.600 0.010 0.000 1.049 127 K CA 1.295 57.579 56.287 -0.006 0.000 0.933 127 K CB -0.197 32.301 32.500 -0.003 0.000 0.717 127 K HN 0.310 nan 8.250 nan 0.000 0.442 128 A N 0.844 123.662 122.820 -0.003 0.000 1.968 128 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 128 A C 2.292 179.886 177.584 0.016 0.000 1.169 128 A CA 0.926 52.968 52.037 0.009 0.000 0.638 128 A CB -0.395 18.578 19.000 -0.046 0.000 0.812 128 A HN 0.044 nan 8.150 nan 0.000 0.446 129 V N -0.438 119.455 119.914 -0.034 0.000 2.295 129 V HA 0.141 4.261 4.120 -0.000 0.000 0.246 129 V C 1.630 177.818 176.094 0.156 0.000 1.049 129 V CA 1.275 63.574 62.300 -0.002 0.000 1.024 129 V CB -1.934 29.875 31.823 -0.023 0.000 0.648 129 V HN 1.284 nan 8.190 nan 0.000 0.447 130 G N 0.250 109.091 108.800 0.068 0.000 2.781 130 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.683 130 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.683 130 G C -1.640 173.208 174.900 -0.087 0.000 1.390 130 G CA -0.091 45.019 45.100 0.016 0.000 0.850 130 G HN 0.310 nan 8.290 nan 0.000 0.557 131 P HA 0.203 nan 4.420 nan 0.000 0.262 131 P C 0.235 177.280 177.300 -0.425 0.000 1.304 131 P CA 0.718 63.579 63.100 -0.398 0.000 0.859 131 P CB 0.069 31.456 31.700 -0.521 0.000 1.310 132 Y N -1.359 118.939 120.300 -0.003 0.000 2.467 132 Y HA 0.116 4.666 4.550 -0.000 0.000 0.250 132 Y C 2.208 178.095 175.900 -0.021 0.000 1.155 132 Y CA -0.227 57.851 58.100 -0.037 0.000 1.249 132 Y CB -0.445 37.886 38.460 -0.214 0.000 1.146 132 Y HN -0.279 nan 8.280 nan 0.000 0.524 133 V N -1.373 118.624 119.914 0.139 0.000 2.515 133 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 133 V C 2.113 178.270 176.094 0.105 0.000 1.058 133 V CA 1.386 63.771 62.300 0.140 0.000 1.064 133 V CB -0.724 31.243 31.823 0.240 0.000 0.675 133 V HN 0.226 nan 8.190 nan 0.000 0.461 134 V N 1.362 121.336 119.914 0.100 0.000 2.255 134 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 134 V C 2.856 178.994 176.094 0.074 0.000 1.051 134 V CA 2.767 65.115 62.300 0.081 0.000 1.018 134 V CB -1.268 30.596 31.823 0.068 0.000 0.641 134 V HN 0.818 nan 8.190 nan 0.000 0.445 135 T N -2.120 112.495 114.554 0.100 0.000 2.929 135 T HA -0.180 4.170 4.350 -0.000 0.000 0.271 135 T C 1.679 176.395 174.700 0.027 0.000 1.085 135 T CA 1.333 63.479 62.100 0.076 0.000 1.125 135 T CB -0.258 68.692 68.868 0.136 0.000 0.874 135 T HN 0.490 nan 8.240 nan 0.000 0.494 136 K N 0.836 121.224 120.400 -0.020 0.000 2.166 136 K HA 0.376 4.696 4.320 -0.000 0.000 0.201 136 K C 2.594 179.189 176.600 -0.008 0.000 1.052 136 K CA 0.826 57.032 56.287 -0.136 0.000 0.969 136 K CB -0.065 32.141 32.500 -0.490 0.000 0.761 136 K HN 0.408 nan 8.250 nan 0.000 0.459 137 A N 1.812 124.667 122.820 0.058 0.000 2.095 137 A HA 0.096 4.416 4.320 -0.000 0.000 0.212 137 A C 1.204 178.832 177.584 0.073 0.000 1.162 137 A CA -0.130 51.969 52.037 0.103 0.000 0.753 137 A CB -0.353 18.729 19.000 0.136 0.000 0.840 137 A HN 0.294 nan 8.150 nan 0.000 0.468 138 M N -1.547 118.087 119.600 0.057 0.000 2.252 138 M HA 0.476 4.956 4.480 -0.000 0.000 0.333 138 M C 0.945 177.274 176.300 0.048 0.000 1.111 138 M CA 0.432 55.761 55.300 0.048 0.000 1.140 138 M CB 0.503 33.127 32.600 0.040 0.000 1.538 138 M HN 0.053 nan 8.290 nan 0.000 0.448 139 A N 2.125 124.973 122.820 0.047 0.000 2.019 139 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 139 A C 2.005 179.621 177.584 0.053 0.000 1.164 139 A CA 1.886 53.953 52.037 0.050 0.000 0.644 139 A CB -0.921 18.108 19.000 0.047 0.000 0.805 139 A HN 1.006 nan 8.150 nan 0.000 0.449 140 S N -0.953 114.777 115.700 0.051 0.000 2.634 140 S HA 0.298 4.768 4.470 -0.000 0.000 0.221 140 S C 1.620 176.249 174.600 0.048 0.000 0.952 140 S CA 0.524 58.759 58.200 0.058 0.000 0.930 140 S CB -0.287 62.951 63.200 0.062 0.000 0.780 140 S HN 0.564 nan 8.310 nan 0.000 0.498 141 G N 2.256 111.080 108.800 0.040 0.000 2.476 141 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 141 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 141 G C 1.307 176.228 174.900 0.034 0.000 1.164 141 G CA 1.195 46.312 45.100 0.029 0.000 0.768 141 G HN 0.474 nan 8.290 nan 0.000 0.560 142 V N 1.728 121.669 119.914 0.045 0.000 2.392 142 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 142 V C 3.249 179.380 176.094 0.062 0.000 1.059 142 V CA 2.552 64.886 62.300 0.055 0.000 1.051 142 V CB -0.464 31.393 31.823 0.058 0.000 0.658 142 V HN 0.651 nan 8.190 nan 0.000 0.455 143 S N 0.258 115.992 115.700 0.056 0.000 2.406 143 S HA 0.055 4.525 4.470 -0.000 0.000 0.224 143 S C 2.091 176.720 174.600 0.049 0.000 1.030 143 S CA 0.880 59.110 58.200 0.051 0.000 0.958 143 S CB -0.233 62.997 63.200 0.050 0.000 0.811 143 S HN 0.520 nan 8.310 nan 0.000 0.489 144 A N 0.981 123.823 122.820 0.037 0.000 1.902 144 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 144 A C 2.322 179.904 177.584 -0.002 0.000 1.181 144 A CA 1.493 53.536 52.037 0.011 0.000 0.623 144 A CB -1.439 17.557 19.000 -0.008 0.000 0.818 144 A HN 0.696 nan 8.150 nan 0.000 0.443 145 C N -1.145 118.165 119.300 0.015 0.000 2.500 145 C HA 0.184 4.644 4.460 -0.000 0.000 0.273 145 C C 2.254 177.316 174.990 0.120 0.000 1.428 145 C CA 0.524 59.554 59.018 0.020 0.000 1.766 145 C CB -1.259 26.490 27.740 0.016 0.000 1.817 145 C HN 0.521 nan 8.230 nan 0.000 0.543 146 L N 0.593 121.918 121.223 0.169 0.000 2.349 146 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 146 L C 2.651 179.690 176.870 0.281 0.000 1.064 146 L CA 1.642 56.671 54.840 0.315 0.000 0.821 146 L CB -1.216 40.978 42.059 0.225 0.000 1.027 146 L HN 0.155 nan 8.230 nan 0.000 0.476 147 A N -0.994 121.914 122.820 0.146 0.000 1.978 147 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 147 A C 2.283 179.940 177.584 0.121 0.000 1.170 147 A CA 2.402 54.513 52.037 0.124 0.000 0.636 147 A CB -0.939 18.105 19.000 0.074 0.000 0.810 147 A HN 0.427 nan 8.150 nan 0.000 0.448 148 T N 0.312 114.906 114.554 0.068 0.000 2.732 148 T HA -0.050 4.300 4.350 -0.000 0.000 0.261 148 T C -0.076 174.636 174.700 0.019 0.000 1.040 148 T CA 1.522 63.635 62.100 0.021 0.000 1.145 148 T CB -0.988 67.840 68.868 -0.066 0.000 0.866 148 T HN 0.519 nan 8.240 nan 0.000 0.427 149 P HA 0.035 nan 4.420 nan 0.000 0.221 149 P C 0.748 177.962 177.300 -0.144 0.000 1.150 149 P CA 0.934 63.980 63.100 -0.090 0.000 0.800 149 P CB -0.244 31.384 31.700 -0.121 0.000 0.787 150 F N 0.650 120.645 119.950 0.074 0.000 2.731 150 F HA 0.159 4.686 4.527 -0.000 0.000 0.304 150 F C 0.800 176.642 175.800 0.071 0.000 1.133 150 F CA -0.136 57.906 58.000 0.069 0.000 1.380 150 F CB -0.175 38.793 39.000 -0.054 0.000 1.079 150 F HN -0.246 nan 8.300 nan 0.000 0.550 151 K N 0.513 121.003 120.400 0.149 0.000 3.148 151 K HA -0.205 4.115 4.320 -0.000 0.000 0.267 151 K C -0.406 176.241 176.600 0.079 0.000 0.996 151 K CA 0.364 56.695 56.287 0.073 0.000 0.737 151 K CB -2.223 30.249 32.500 -0.048 0.000 1.308 151 K HN 0.201 nan 8.250 nan 0.000 0.470 152 I N 1.131 121.807 120.570 0.177 0.000 2.496 152 I HA 0.048 4.218 4.170 -0.000 0.000 0.285 152 I C 1.899 178.194 176.117 0.298 0.000 1.080 152 I CA 0.220 61.633 61.300 0.189 0.000 1.404 152 I CB 0.438 38.532 38.000 0.158 0.000 1.403 152 I HN 0.259 nan 8.210 nan 0.000 0.539 153 H N 3.216 122.326 119.070 0.066 0.000 2.827 153 H HA 0.188 4.744 4.556 -0.000 0.000 0.269 153 H C 1.302 176.651 175.328 0.034 0.000 1.031 153 H CA -0.048 56.025 56.048 0.042 0.000 1.202 153 H CB 1.435 31.218 29.762 0.035 0.000 1.511 153 H HN 0.765 nan 8.280 nan 0.000 0.517 154 G N 1.115 110.006 108.800 0.151 0.000 2.666 154 G HA2 0.227 4.187 3.960 -0.000 0.000 0.207 154 G HA3 0.227 4.187 3.960 -0.000 0.000 0.207 154 G C 0.214 175.135 174.900 0.035 0.000 1.481 154 G CA 0.051 45.197 45.100 0.076 0.000 1.071 154 G HN 0.118 nan 8.290 nan 0.000 0.572 155 V N -0.827 119.079 119.914 -0.013 0.000 2.999 155 V HA 0.461 4.581 4.120 -0.000 0.000 0.307 155 V C -0.200 175.812 176.094 -0.136 0.000 1.084 155 V CA -0.196 62.061 62.300 -0.073 0.000 1.155 155 V CB 1.173 32.894 31.823 -0.170 0.000 0.975 155 V HN 0.812 nan 8.190 nan 0.000 0.490 156 N N 3.031 121.642 118.700 -0.148 0.000 2.699 156 N HA 0.472 5.212 4.740 -0.000 0.000 0.271 156 N C -1.191 174.320 175.510 0.002 0.000 1.216 156 N CA -0.571 52.415 53.050 -0.108 0.000 0.844 156 N CB 1.048 39.538 38.487 0.006 0.000 1.462 156 N HN 1.031 nan 8.380 nan 0.000 0.555 157 Y N -1.113 119.205 120.300 0.031 0.000 2.741 157 Y HA 0.700 5.249 4.550 -0.000 0.000 0.339 157 Y C -1.254 174.662 175.900 0.027 0.000 1.226 157 Y CA -1.197 56.919 58.100 0.025 0.000 1.072 157 Y CB 0.529 39.001 38.460 0.020 0.000 1.331 157 Y HN 0.116 nan 8.280 nan 0.000 0.453 158 S N 1.524 117.415 115.700 0.320 0.000 2.501 158 S HA 0.698 5.168 4.470 -0.000 0.000 0.301 158 S C -0.877 173.856 174.600 0.222 0.000 1.096 158 S CA -0.736 57.591 58.200 0.211 0.000 1.063 158 S CB 1.194 64.468 63.200 0.124 0.000 1.042 158 S HN 0.516 nan 8.310 nan 0.000 0.494 159 I N 1.919 122.599 120.570 0.184 0.000 2.404 159 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 159 I C -0.140 176.045 176.117 0.113 0.000 0.992 159 I CA -0.307 61.078 61.300 0.142 0.000 1.149 159 I CB 1.948 40.048 38.000 0.167 0.000 1.315 159 I HN 0.479 nan 8.210 nan 0.000 0.446 160 S N 3.384 119.137 115.700 0.089 0.000 2.532 160 S HA 0.603 5.073 4.470 -0.000 0.000 0.299 160 S C -0.310 174.349 174.600 0.099 0.000 1.105 160 S CA -0.421 57.833 58.200 0.090 0.000 1.018 160 S CB 1.070 64.313 63.200 0.071 0.000 1.021 160 S HN 0.677 nan 8.310 nan 0.000 0.483 161 S N 2.840 118.619 115.700 0.132 0.000 2.646 161 S HA 0.623 5.093 4.470 -0.000 0.000 0.217 161 S C 0.518 175.205 174.600 0.145 0.000 0.836 161 S CA 0.008 58.306 58.200 0.162 0.000 1.094 161 S CB -0.213 63.163 63.200 0.294 0.000 1.557 161 S HN 1.909 nan 8.310 nan 0.000 0.449 162 A N 2.207 125.089 122.820 0.102 0.000 5.479 162 A HA -0.262 4.058 4.320 -0.000 0.000 0.301 162 A C 1.715 179.313 177.584 0.023 0.000 1.961 162 A CA 1.285 53.357 52.037 0.058 0.000 0.716 162 A CB -2.226 16.823 19.000 0.082 0.000 1.266 162 A HN 1.424 nan 8.150 nan 0.000 0.372 163 S N 0.145 115.847 115.700 0.003 0.000 2.547 163 S HA 0.247 4.717 4.470 -0.000 0.000 0.235 163 S C 1.666 176.277 174.600 0.018 0.000 0.980 163 S CA 1.615 59.847 58.200 0.053 0.000 0.941 163 S CB -0.319 63.014 63.200 0.221 0.000 0.763 163 S HN 1.776 nan 8.310 nan 0.000 0.532 164 A N 0.928 123.751 122.820 0.005 0.000 2.267 164 A HA 0.206 4.526 4.320 -0.000 0.000 0.213 164 A C 1.923 179.495 177.584 -0.021 0.000 1.192 164 A CA 0.403 52.393 52.037 -0.079 0.000 0.851 164 A CB -0.686 18.261 19.000 -0.089 0.000 0.881 164 A HN 0.338 nan 8.150 nan 0.000 0.494 165 T N 1.574 116.173 114.554 0.074 0.000 2.481 165 T HA -0.280 4.070 4.350 -0.000 0.000 0.252 165 T C 2.200 176.939 174.700 0.065 0.000 1.242 165 T CA 2.812 64.974 62.100 0.104 0.000 1.170 165 T CB -0.630 68.280 68.868 0.070 0.000 0.860 165 T HN 0.818 nan 8.240 nan 0.000 0.422 166 S N 1.423 117.127 115.700 0.008 0.000 2.507 166 S HA 0.192 4.662 4.470 -0.000 0.000 0.235 166 S C 2.135 176.697 174.600 -0.062 0.000 0.988 166 S CA 0.749 58.936 58.200 -0.021 0.000 0.944 166 S CB -0.390 62.786 63.200 -0.041 0.000 0.762 166 S HN 0.581 nan 8.310 nan 0.000 0.526 167 A N 1.570 124.333 122.820 -0.096 0.000 1.903 167 A HA 0.111 4.431 4.320 -0.000 0.000 0.213 167 A C 1.882 179.389 177.584 -0.130 0.000 1.185 167 A CA 0.971 52.917 52.037 -0.152 0.000 0.628 167 A CB -0.871 17.998 19.000 -0.218 0.000 0.830 167 A HN 0.649 nan 8.150 nan 0.000 0.446 168 H N -1.553 117.531 119.070 0.024 0.000 2.423 168 H HA -0.115 4.441 4.556 -0.000 0.000 0.297 168 H C 2.157 177.470 175.328 -0.026 0.000 1.075 168 H CA 1.246 57.334 56.048 0.065 0.000 1.342 168 H CB -0.120 29.715 29.762 0.121 0.000 1.395 168 H HN 0.530 nan 8.280 nan 0.000 0.530 169 C N 0.285 119.637 119.300 0.088 0.000 2.432 169 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 169 C C 2.682 177.629 174.990 -0.072 0.000 1.249 169 C CA 0.821 59.856 59.018 0.029 0.000 1.725 169 C CB -0.790 26.960 27.740 0.018 0.000 2.028 169 C HN 0.531 nan 8.230 nan 0.000 0.477 170 I N 1.005 121.495 120.570 -0.133 0.000 2.226 170 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 170 I C 2.729 178.644 176.117 -0.336 0.000 1.100 170 I CA 1.818 62.998 61.300 -0.200 0.000 1.374 170 I CB -0.972 36.912 38.000 -0.194 0.000 1.057 170 I HN 0.449 nan 8.210 nan 0.000 0.413 171 G N 0.502 108.948 108.800 -0.589 0.000 2.422 171 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 171 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 171 G C 1.475 175.980 174.900 -0.658 0.000 1.146 171 G CA 0.651 44.932 45.100 -1.365 0.000 0.769 171 G HN 0.359 nan 8.290 nan 0.000 0.547 172 N N 0.923 119.480 118.700 -0.239 0.000 2.270 172 N HA -0.027 4.713 4.740 -0.000 0.000 0.181 172 N C 2.507 177.998 175.510 -0.033 0.000 1.016 172 N CA 0.956 54.007 53.050 0.001 0.000 0.870 172 N CB -0.046 38.513 38.487 0.120 0.000 0.979 172 N HN 0.257 nan 8.380 nan 0.000 0.431 173 A N 0.707 123.465 122.820 -0.104 0.000 1.898 173 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 173 A C 2.451 179.972 177.584 -0.104 0.000 1.181 173 A CA 1.020 52.991 52.037 -0.110 0.000 0.620 173 A CB -0.763 18.152 19.000 -0.141 0.000 0.819 173 A HN 0.139 nan 8.150 nan 0.000 0.442 174 V N 0.270 120.105 119.914 -0.132 0.000 2.287 174 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 174 V C 2.437 178.513 176.094 -0.029 0.000 1.053 174 V CA 2.460 64.705 62.300 -0.091 0.000 1.027 174 V CB -0.884 30.874 31.823 -0.108 0.000 0.646 174 V HN 0.655 nan 8.190 nan 0.000 0.447 175 E N -0.658 119.544 120.200 0.004 0.000 2.077 175 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 175 E C 2.390 179.008 176.600 0.030 0.000 0.989 175 E CA 1.118 57.549 56.400 0.052 0.000 0.800 175 E CB -0.171 29.594 29.700 0.107 0.000 0.746 175 E HN 0.544 nan 8.360 nan 0.000 0.452 176 Q N 0.194 120.002 119.800 0.013 0.000 2.170 176 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 176 Q C 2.219 178.209 176.000 -0.015 0.000 0.976 176 Q CA 1.079 56.885 55.803 0.005 0.000 0.858 176 Q CB -0.076 28.654 28.738 -0.015 0.000 0.907 176 Q HN 0.433 nan 8.270 nan 0.000 0.433 177 I N 0.361 120.910 120.570 -0.034 0.000 2.333 177 I HA -0.238 3.932 4.170 -0.000 0.000 0.246 177 I C 2.300 178.406 176.117 -0.019 0.000 1.106 177 I CA 0.747 62.021 61.300 -0.044 0.000 1.411 177 I CB -0.173 37.786 38.000 -0.069 0.000 1.082 177 I HN 0.200 nan 8.210 nan 0.000 0.420 178 Q N 0.566 120.364 119.800 -0.004 0.000 2.170 178 Q HA -0.147 4.193 4.340 -0.000 0.000 0.203 178 Q C 2.203 178.211 176.000 0.013 0.000 0.976 178 Q CA 1.225 57.033 55.803 0.010 0.000 0.858 178 Q CB -0.058 28.696 28.738 0.026 0.000 0.907 178 Q HN 0.533 nan 8.270 nan 0.000 0.433 179 L N -0.576 120.656 121.223 0.015 0.000 2.552 179 L HA 0.018 4.358 4.340 -0.000 0.000 0.227 179 L C 1.160 178.037 176.870 0.011 0.000 1.146 179 L CA 0.522 55.373 54.840 0.017 0.000 0.858 179 L CB -0.256 41.818 42.059 0.024 0.000 0.969 179 L HN 0.464 nan 8.230 nan 0.000 0.451 180 G N 0.129 108.931 108.800 0.003 0.000 2.143 180 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.248 180 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.248 180 G C 0.960 175.860 174.900 -0.000 0.000 0.991 180 G CA 0.581 45.681 45.100 0.000 0.000 0.689 180 G HN 0.394 nan 8.290 nan 0.000 0.522 181 K N -0.904 119.495 120.400 -0.001 0.000 2.262 181 K HA 0.118 4.438 4.320 -0.000 0.000 0.200 181 K C 0.990 177.584 176.600 -0.010 0.000 1.049 181 K CA 0.771 57.059 56.287 0.003 0.000 0.979 181 K CB 0.097 32.605 32.500 0.014 0.000 0.773 181 K HN 0.444 nan 8.250 nan 0.000 0.474 182 Q N -0.352 119.428 119.800 -0.032 0.000 2.456 182 Q HA 0.164 4.504 4.340 -0.000 0.000 0.283 182 Q C -0.465 175.472 176.000 -0.104 0.000 1.084 182 Q CA -0.386 55.380 55.803 -0.061 0.000 0.801 182 Q CB 1.946 30.641 28.738 -0.071 0.000 1.434 182 Q HN -0.057 nan 8.270 nan 0.000 0.419 183 D N -0.002 120.298 120.400 -0.167 0.000 2.379 183 D HA 0.298 4.938 4.640 -0.000 0.000 0.218 183 D C 0.290 176.363 176.300 -0.379 0.000 1.006 183 D CA 0.733 54.553 54.000 -0.300 0.000 0.893 183 D CB 1.446 41.970 40.800 -0.460 0.000 1.019 183 D HN 0.350 nan 8.370 nan 0.000 0.503 184 I N 0.778 121.154 120.570 -0.323 0.000 2.686 184 I HA 0.314 4.484 4.170 -0.000 0.000 0.295 184 I C -1.144 174.784 176.117 -0.315 0.000 1.114 184 I CA -0.841 60.244 61.300 -0.358 0.000 1.038 184 I CB 3.345 41.106 38.000 -0.399 0.000 1.238 184 I HN -0.405 nan 8.210 nan 0.000 0.420 185 V N 5.437 125.122 119.914 -0.383 0.000 2.612 185 V HA 0.373 4.493 4.120 -0.000 0.000 0.301 185 V C -0.850 175.011 176.094 -0.387 0.000 1.059 185 V CA -0.586 61.542 62.300 -0.288 0.000 0.886 185 V CB 1.866 33.578 31.823 -0.184 0.000 1.007 185 V HN 0.381 nan 8.190 nan 0.000 0.426 186 F N 3.434 123.283 119.950 -0.170 0.000 2.445 186 F HA 0.702 5.229 4.527 -0.000 0.000 0.359 186 F C 0.735 176.435 175.800 -0.166 0.000 1.101 186 F CA -0.009 57.875 58.000 -0.194 0.000 1.177 186 F CB 1.196 40.044 39.000 -0.253 0.000 1.110 186 F HN 0.581 nan 8.300 nan 0.000 0.522 187 A N 2.485 125.286 122.820 -0.032 0.000 2.386 187 A HA 0.950 5.269 4.320 -0.000 0.000 0.311 187 A C -0.007 177.545 177.584 -0.053 0.000 1.068 187 A CA 0.080 52.084 52.037 -0.056 0.000 0.743 187 A CB 1.475 20.414 19.000 -0.102 0.000 1.258 187 A HN 1.024 nan 8.150 nan 0.000 0.429 188 G N -0.379 108.396 108.800 -0.042 0.000 2.512 188 G HA2 0.738 4.698 3.960 -0.000 0.000 0.181 188 G HA3 0.738 4.698 3.960 -0.000 0.000 0.181 188 G C -0.117 174.773 174.900 -0.018 0.000 1.173 188 G CA 0.465 45.539 45.100 -0.044 0.000 0.988 188 G HN 2.410 nan 8.290 nan 0.000 0.485 189 G N -2.213 106.583 108.800 -0.007 0.000 2.315 189 G HA2 0.787 4.747 3.960 -0.000 0.000 0.294 189 G HA3 0.787 4.747 3.960 -0.000 0.000 0.294 189 G C -0.474 174.450 174.900 0.040 0.000 1.300 189 G CA 0.782 45.894 45.100 0.020 0.000 0.843 189 G HN 2.192 nan 8.290 nan 0.000 0.527 190 G N -1.326 107.513 108.800 0.064 0.000 2.623 190 G HA2 0.695 4.655 3.960 -0.000 0.000 0.290 190 G HA3 0.695 4.655 3.960 -0.000 0.000 0.290 190 G C -1.990 172.975 174.900 0.109 0.000 1.437 190 G CA -0.187 44.981 45.100 0.114 0.000 0.798 190 G HN 0.772 nan 8.290 nan 0.000 0.488 191 E N -0.272 120.023 120.200 0.159 0.000 2.321 191 E HA 0.371 4.721 4.350 -0.000 0.000 0.281 191 E C -0.206 176.510 176.600 0.194 0.000 0.910 191 E CA -0.672 55.801 56.400 0.120 0.000 0.770 191 E CB 1.505 31.235 29.700 0.051 0.000 1.225 191 E HN 0.712 nan 8.360 nan 0.000 0.417 192 E N 2.958 123.241 120.200 0.139 0.000 2.371 192 E HA 0.389 4.739 4.350 -0.000 0.000 0.257 192 E C -0.723 175.942 176.600 0.108 0.000 1.134 192 E CA -0.805 55.682 56.400 0.144 0.000 0.919 192 E CB 1.067 30.803 29.700 0.060 0.000 1.025 192 E HN 0.238 nan 8.360 nan 0.000 0.438 193 L N 2.183 123.452 121.223 0.076 0.000 2.343 193 L HA 0.452 4.792 4.340 -0.000 0.000 0.278 193 L C -1.273 175.646 176.870 0.083 0.000 0.996 193 L CA -0.380 54.469 54.840 0.014 0.000 0.831 193 L CB 0.813 42.738 42.059 -0.224 0.000 1.232 193 L HN 0.941 nan 8.230 nan 0.000 0.413 194 C N 2.081 121.481 119.300 0.168 0.000 3.307 194 C HA 0.454 4.914 4.460 -0.000 0.000 0.333 194 C C 1.034 176.132 174.990 0.180 0.000 1.291 194 C CA -0.928 58.191 59.018 0.169 0.000 1.273 194 C CB 0.716 28.426 27.740 -0.050 0.000 1.580 194 C HN 1.035 nan 8.230 nan 0.000 0.481 195 W N 0.789 122.192 121.300 0.171 0.000 2.436 195 W HA 0.066 4.726 4.660 0.000 0.000 0.284 195 W C 1.043 177.621 176.519 0.099 0.000 1.225 195 W CA 1.722 59.135 57.345 0.114 0.000 1.271 195 W CB -1.021 28.469 29.460 0.049 0.000 1.114 195 W HN 0.859 nan 8.180 nan 0.000 0.559 196 E N 0.874 120.437 120.200 -1.062 0.000 2.130 196 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 196 E C 2.314 178.736 176.600 -0.297 0.000 0.998 196 E CA 2.651 58.438 56.400 -1.021 0.000 0.806 196 E CB -0.619 28.530 29.700 -0.918 0.000 0.738 196 E HN 0.394 nan 8.360 nan 0.000 0.459 197 M N -0.741 118.788 119.600 -0.119 0.000 2.429 197 M HA 0.137 4.617 4.480 -0.000 0.000 0.265 197 M C 2.097 178.529 176.300 0.218 0.000 1.120 197 M CA 1.124 56.457 55.300 0.054 0.000 1.173 197 M CB 0.116 32.777 32.600 0.102 0.000 1.343 197 M HN 0.149 nan 8.290 nan 0.000 0.464 198 A N 0.764 123.742 122.820 0.263 0.000 1.908 198 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 198 A C 2.357 180.127 177.584 0.311 0.000 1.181 198 A CA 1.917 54.161 52.037 0.345 0.000 0.627 198 A CB -1.818 17.360 19.000 0.295 0.000 0.818 198 A HN 0.883 nan 8.150 nan 0.000 0.445 199 C N -0.625 118.839 119.300 0.274 0.000 2.410 199 C HA -0.095 4.365 4.460 -0.000 0.000 0.281 199 C C 2.172 177.261 174.990 0.166 0.000 1.318 199 C CA 1.166 60.326 59.018 0.237 0.000 1.776 199 C CB -1.630 26.301 27.740 0.319 0.000 1.942 199 C HN 0.656 nan 8.230 nan 0.000 0.508 200 E N 0.160 120.431 120.200 0.117 0.000 2.106 200 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 200 E C 1.769 178.347 176.600 -0.037 0.000 0.984 200 E CA 1.416 57.810 56.400 -0.010 0.000 0.806 200 E CB -0.253 29.367 29.700 -0.134 0.000 0.750 200 E HN 0.788 nan 8.360 nan 0.000 0.458 201 F N 0.882 120.903 119.950 0.120 0.000 2.234 201 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 201 F C 2.200 178.027 175.800 0.047 0.000 1.089 201 F CA 0.928 59.001 58.000 0.120 0.000 1.343 201 F CB -0.096 38.965 39.000 0.101 0.000 1.040 201 F HN -0.036 nan 8.300 nan 0.000 0.498 202 D N 0.293 120.821 120.400 0.214 0.000 2.144 202 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 202 D C 2.270 178.628 176.300 0.096 0.000 0.984 202 D CA 1.237 55.304 54.000 0.111 0.000 0.834 202 D CB -0.204 40.657 40.800 0.100 0.000 0.955 202 D HN 0.177 nan 8.370 nan 0.000 0.465 203 A N 0.792 123.671 122.820 0.098 0.000 2.024 203 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 203 A C 2.181 179.804 177.584 0.066 0.000 1.164 203 A CA 1.817 53.897 52.037 0.071 0.000 0.643 203 A CB -0.722 18.314 19.000 0.060 0.000 0.806 203 A HN 0.519 nan 8.150 nan 0.000 0.451 204 M N -3.052 116.602 119.600 0.089 0.000 2.419 204 M HA 0.480 4.960 4.480 -0.000 0.000 0.252 204 M C 0.947 177.312 176.300 0.108 0.000 1.143 204 M CA 0.553 55.908 55.300 0.091 0.000 0.985 204 M CB 0.029 32.691 32.600 0.105 0.000 1.489 204 M HN 0.569 nan 8.290 nan 0.000 0.484 205 G N 1.007 109.865 108.800 0.096 0.000 2.198 205 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 205 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 205 G C 0.722 175.680 174.900 0.097 0.000 1.025 205 G CA 0.412 45.560 45.100 0.079 0.000 0.769 205 G HN 0.795 nan 8.290 nan 0.000 0.507 206 A N -1.067 121.832 122.820 0.130 0.000 2.132 206 A HA 0.640 4.960 4.320 -0.000 0.000 0.213 206 A C 1.283 178.749 177.584 -0.196 0.000 1.154 206 A CA 0.691 52.810 52.037 0.138 0.000 0.753 206 A CB 0.165 19.432 19.000 0.445 0.000 0.826 206 A HN 0.646 nan 8.150 nan 0.000 0.469 207 L N -0.019 121.054 121.223 -0.249 0.000 2.379 207 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 207 L C 0.753 177.541 176.870 -0.136 0.000 1.084 207 L CA -0.585 54.034 54.840 -0.369 0.000 0.802 207 L CB 1.505 43.388 42.059 -0.294 0.000 1.175 207 L HN 0.152 nan 8.230 nan 0.000 0.448 208 S N 0.130 115.774 115.700 -0.092 0.000 2.533 208 S HA 0.124 4.594 4.470 -0.000 0.000 0.282 208 S C 0.764 175.377 174.600 0.021 0.000 1.304 208 S CA 0.174 58.394 58.200 0.033 0.000 1.063 208 S CB 0.388 63.641 63.200 0.089 0.000 0.881 208 S HN 0.834 nan 8.310 nan 0.000 0.493 209 T N 1.554 116.124 114.554 0.028 0.000 3.009 209 T HA 0.324 4.674 4.350 -0.000 0.000 0.267 209 T C 0.919 175.564 174.700 -0.090 0.000 0.942 209 T CA -0.433 61.636 62.100 -0.053 0.000 0.883 209 T CB -0.100 68.722 68.868 -0.075 0.000 1.192 209 T HN 0.603 nan 8.240 nan 0.000 0.524 210 K N 0.300 120.640 120.400 -0.099 0.000 2.426 210 K HA 0.187 4.507 4.320 -0.000 0.000 0.193 210 K C -0.245 176.009 176.600 -0.577 0.000 1.028 210 K CA 0.490 56.563 56.287 -0.358 0.000 1.047 210 K CB 0.079 32.273 32.500 -0.510 0.000 0.821 210 K HN 0.476 nan 8.250 nan 0.000 0.513 211 Y N 0.087 120.380 120.300 -0.013 0.000 2.734 211 Y HA 0.214 4.764 4.550 -0.000 0.000 0.278 211 Y C 0.887 176.801 175.900 0.022 0.000 1.108 211 Y CA -0.710 57.394 58.100 0.006 0.000 1.211 211 Y CB -0.072 38.399 38.460 0.019 0.000 1.182 211 Y HN -0.010 nan 8.280 nan 0.000 0.547 212 N N 0.693 119.441 118.700 0.080 0.000 2.166 212 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 212 N C 1.058 176.667 175.510 0.166 0.000 1.019 212 N CA 1.491 54.620 53.050 0.133 0.000 0.856 212 N CB 0.022 38.546 38.487 0.062 0.000 0.993 212 N HN 0.482 nan 8.380 nan 0.000 0.426 213 D N 0.053 120.503 120.400 0.084 0.000 2.264 213 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 213 D C 0.524 176.865 176.300 0.068 0.000 0.966 213 D CA 0.955 54.983 54.000 0.046 0.000 0.864 213 D CB 0.048 40.852 40.800 0.006 0.000 0.933 213 D HN 0.350 nan 8.370 nan 0.000 0.499 214 T N -1.920 112.704 114.554 0.118 0.000 3.327 214 T HA 0.344 4.694 4.350 -0.000 0.000 0.373 214 T C -2.302 172.486 174.700 0.146 0.000 1.589 214 T CA -1.781 60.392 62.100 0.122 0.000 1.497 214 T CB 1.926 70.876 68.868 0.135 0.000 1.032 214 T HN -0.288 nan 8.240 nan 0.000 0.640 215 P HA -0.191 nan 4.420 nan 0.000 0.217 215 P C 1.327 178.688 177.300 0.102 0.000 1.162 215 P CA 1.429 64.618 63.100 0.149 0.000 0.901 215 P CB 0.103 31.909 31.700 0.175 0.000 0.793 216 E N -0.750 119.497 120.200 0.078 0.000 2.510 216 E HA -0.136 4.214 4.350 -0.000 0.000 0.202 216 E C 1.211 177.815 176.600 0.007 0.000 1.072 216 E CA 0.708 57.134 56.400 0.043 0.000 0.883 216 E CB -0.292 29.430 29.700 0.037 0.000 0.818 216 E HN 0.421 nan 8.360 nan 0.000 0.548 217 K N -0.510 119.889 120.400 -0.002 0.000 2.402 217 K HA 0.235 4.555 4.320 -0.000 0.000 0.204 217 K C 1.641 178.087 176.600 -0.257 0.000 1.056 217 K CA 0.206 56.437 56.287 -0.093 0.000 1.069 217 K CB 0.851 33.319 32.500 -0.054 0.000 0.888 217 K HN -0.026 nan 8.250 nan 0.000 0.546 218 A N 1.329 124.077 122.820 -0.121 0.000 1.877 218 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 218 A C 1.402 178.888 177.584 -0.164 0.000 1.186 218 A CA 1.293 53.253 52.037 -0.127 0.000 0.620 218 A CB -0.135 18.910 19.000 0.075 0.000 0.822 218 A HN 0.164 nan 8.150 nan 0.000 0.443 219 S N 0.471 116.118 115.700 -0.088 0.000 2.416 219 S HA 0.422 4.892 4.470 -0.000 0.000 0.287 219 S C 0.262 174.791 174.600 -0.118 0.000 1.139 219 S CA -0.643 57.515 58.200 -0.071 0.000 1.058 219 S CB -0.162 63.023 63.200 -0.024 0.000 0.967 219 S HN 0.492 nan 8.310 nan 0.000 0.495 220 R N 2.721 123.138 120.500 -0.139 0.000 2.674 220 R HA 0.245 4.585 4.340 -0.000 0.000 0.270 220 R C -0.616 175.607 176.300 -0.127 0.000 1.492 220 R CA -0.648 55.373 56.100 -0.132 0.000 1.624 220 R CB -0.682 29.518 30.300 -0.166 0.000 1.307 220 R HN 0.403 nan 8.270 nan 0.000 0.683 221 T N 2.218 116.650 114.554 -0.203 0.000 2.819 221 T HA -0.115 4.235 4.350 -0.000 0.000 0.282 221 T C -0.052 174.437 174.700 -0.352 0.000 1.013 221 T CA 0.945 62.796 62.100 -0.414 0.000 1.159 221 T CB -0.126 68.355 68.868 -0.645 0.000 1.007 221 T HN 0.578 nan 8.240 nan 0.000 0.514 222 Y N -1.279 119.019 120.300 -0.003 0.000 4.766 222 Y HA -0.223 4.327 4.550 -0.000 0.000 0.289 222 Y C 0.787 176.683 175.900 -0.006 0.000 0.965 222 Y CA 0.535 58.634 58.100 -0.001 0.000 1.738 222 Y CB -2.213 36.248 38.460 0.002 0.000 1.062 222 Y HN 0.789 nan 8.280 nan 0.000 0.440 223 D N 0.601 121.060 120.400 0.099 0.000 2.399 223 D HA 0.516 5.156 4.640 -0.000 0.000 0.241 223 D C 1.313 177.623 176.300 0.016 0.000 1.133 223 D CA 0.845 54.883 54.000 0.064 0.000 0.890 223 D CB 1.207 42.033 40.800 0.044 0.000 1.201 223 D HN 0.293 nan 8.370 nan 0.000 0.432 224 A N 2.892 125.678 122.820 -0.057 0.000 2.125 224 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 224 A C 1.153 178.499 177.584 -0.398 0.000 1.156 224 A CA 1.318 53.213 52.037 -0.238 0.000 0.671 224 A CB -0.552 18.237 19.000 -0.352 0.000 0.794 224 A HN 0.778 nan 8.150 nan 0.000 0.459 225 H N -0.550 118.570 119.070 0.085 0.000 2.505 225 H HA 0.171 4.727 4.556 -0.000 0.000 0.286 225 H C 0.560 175.978 175.328 0.150 0.000 1.072 225 H CA -0.303 55.825 56.048 0.132 0.000 1.141 225 H CB 0.113 29.987 29.762 0.186 0.000 1.550 225 H HN 0.590 nan 8.280 nan 0.000 0.547 226 R N 1.629 122.198 120.500 0.115 0.000 2.698 226 R HA -0.004 4.336 4.340 -0.000 0.000 0.266 226 R C -0.443 175.943 176.300 0.144 0.000 1.026 226 R CA 0.540 56.686 56.100 0.077 0.000 1.102 226 R CB 0.418 30.730 30.300 0.020 0.000 0.978 226 R HN 0.248 nan 8.270 nan 0.000 0.436 227 D N 0.536 121.035 120.400 0.165 0.000 2.760 227 D HA 0.234 4.874 4.640 -0.000 0.000 0.314 227 D C 0.114 176.483 176.300 0.114 0.000 1.464 227 D CA 0.042 54.137 54.000 0.158 0.000 0.797 227 D CB 0.486 41.408 40.800 0.204 0.000 1.149 227 D HN 0.895 nan 8.370 nan 0.000 0.455 228 G N 0.397 109.262 108.800 0.107 0.000 2.355 228 G HA2 0.231 4.191 3.960 -0.000 0.000 0.619 228 G HA3 0.231 4.191 3.960 -0.000 0.000 0.619 228 G C -0.702 174.268 174.900 0.117 0.000 1.337 228 G CA -0.698 44.462 45.100 0.101 0.000 0.993 228 G HN 0.294 nan 8.290 nan 0.000 0.599 229 F N -0.694 119.286 119.950 0.050 0.000 2.370 229 F HA 0.823 5.350 4.527 0.000 0.000 0.319 229 F C 0.221 176.037 175.800 0.027 0.000 1.129 229 F CA -1.459 56.551 58.000 0.017 0.000 1.109 229 F CB 1.433 40.448 39.000 0.026 0.000 1.262 229 F HN 0.378 nan 8.300 nan 0.000 0.534 230 V N 4.250 124.321 119.914 0.262 0.000 2.347 230 V HA 0.256 4.376 4.120 -0.000 0.000 0.280 230 V C 0.209 176.484 176.094 0.301 0.000 1.021 230 V CA -0.810 61.588 62.300 0.164 0.000 0.847 230 V CB 1.058 32.960 31.823 0.132 0.000 0.990 230 V HN 0.834 nan 8.190 nan 0.000 0.444 231 I N 4.771 125.480 120.570 0.231 0.000 2.692 231 I HA 0.518 4.688 4.170 -0.000 0.000 0.284 231 I C 0.512 176.740 176.117 0.185 0.000 1.159 231 I CA 0.558 62.008 61.300 0.249 0.000 1.423 231 I CB 0.868 38.963 38.000 0.159 0.000 1.380 231 I HN 0.795 nan 8.210 nan 0.000 0.580 232 A N 4.752 127.625 122.820 0.088 0.000 2.564 232 A HA 0.907 5.227 4.320 -0.000 0.000 0.288 232 A C -0.601 176.950 177.584 -0.055 0.000 1.164 232 A CA -0.064 51.975 52.037 0.003 0.000 0.712 232 A CB 1.273 20.279 19.000 0.010 0.000 1.303 232 A HN 0.827 nan 8.150 nan 0.000 0.418 233 G N -2.034 106.690 108.800 -0.127 0.000 3.022 233 G HA2 0.940 4.900 3.960 -0.000 0.000 0.284 233 G HA3 0.940 4.900 3.960 -0.000 0.000 0.284 233 G C 0.019 174.786 174.900 -0.221 0.000 1.375 233 G CA -0.278 44.754 45.100 -0.114 0.000 0.902 233 G HN 2.414 nan 8.290 nan 0.000 0.538 234 G N -2.483 106.142 108.800 -0.291 0.000 2.334 234 G HA2 0.588 4.548 3.960 -0.000 0.000 0.315 234 G HA3 0.588 4.548 3.960 -0.000 0.000 0.315 234 G C -0.280 174.539 174.900 -0.134 0.000 1.284 234 G CA 0.169 44.972 45.100 -0.495 0.000 0.985 234 G HN 2.047 nan 8.290 nan 0.000 0.504 235 G N -1.763 106.977 108.800 -0.099 0.000 2.695 235 G HA2 1.046 5.006 3.960 -0.000 0.000 0.290 235 G HA3 1.046 5.006 3.960 -0.000 0.000 0.290 235 G C -0.280 174.599 174.900 -0.034 0.000 1.410 235 G CA 0.375 45.489 45.100 0.024 0.000 0.844 235 G HN 2.112 nan 8.290 nan 0.000 0.478 236 G N -1.335 107.443 108.800 -0.037 0.000 2.698 236 G HA2 0.698 4.658 3.960 -0.000 0.000 0.293 236 G HA3 0.698 4.658 3.960 -0.000 0.000 0.293 236 G C -1.671 173.188 174.900 -0.069 0.000 1.437 236 G CA -0.640 44.412 45.100 -0.080 0.000 0.852 236 G HN 0.997 nan 8.290 nan 0.000 0.499 237 M N 0.824 120.373 119.600 -0.085 0.000 2.373 237 M HA 0.599 5.079 4.480 -0.000 0.000 0.290 237 M C -1.146 175.102 176.300 -0.088 0.000 1.143 237 M CA -0.608 54.648 55.300 -0.073 0.000 0.949 237 M CB 2.156 34.716 32.600 -0.067 0.000 1.756 237 M HN 1.211 nan 8.290 nan 0.000 0.494 238 V N 1.614 121.473 119.914 -0.091 0.000 3.001 238 V HA 0.920 5.040 4.120 -0.000 0.000 0.314 238 V C -1.171 174.840 176.094 -0.138 0.000 1.099 238 V CA -0.916 61.311 62.300 -0.121 0.000 0.989 238 V CB 1.949 33.680 31.823 -0.153 0.000 1.040 238 V HN 0.615 nan 8.190 nan 0.000 0.434 239 V N 3.254 123.065 119.914 -0.171 0.000 2.334 239 V HA 0.351 4.471 4.120 -0.000 0.000 0.267 239 V C 0.106 176.046 176.094 -0.257 0.000 1.040 239 V CA -0.341 61.773 62.300 -0.312 0.000 0.866 239 V CB 1.060 32.716 31.823 -0.279 0.000 1.019 239 V HN 0.721 nan 8.190 nan 0.000 0.468 240 V N 5.261 124.999 119.914 -0.293 0.000 2.406 240 V HA 0.442 4.562 4.120 -0.000 0.000 0.272 240 V C 0.118 176.068 176.094 -0.239 0.000 1.043 240 V CA -0.216 61.953 62.300 -0.218 0.000 0.915 240 V CB 1.300 33.006 31.823 -0.195 0.000 0.988 240 V HN 0.949 nan 8.190 nan 0.000 0.466 241 E N 2.654 122.748 120.200 -0.175 0.000 2.343 241 E HA 0.353 4.703 4.350 -0.000 0.000 0.270 241 E C -0.871 175.663 176.600 -0.110 0.000 0.895 241 E CA -0.770 55.527 56.400 -0.172 0.000 0.767 241 E CB 1.850 31.471 29.700 -0.133 0.000 1.248 241 E HN 0.672 nan 8.360 nan 0.000 0.440 242 E N 3.465 123.596 120.200 -0.114 0.000 2.344 242 E HA -0.010 4.340 4.350 -0.000 0.000 0.270 242 E C 0.791 177.395 176.600 0.007 0.000 1.021 242 E CA -0.116 56.254 56.400 -0.049 0.000 0.887 242 E CB 1.205 30.878 29.700 -0.046 0.000 0.997 242 E HN 0.597 nan 8.360 nan 0.000 0.429 243 L N 5.719 126.943 121.223 0.002 0.000 1.963 243 L HA -0.260 4.080 4.340 -0.000 0.000 0.220 243 L C 1.915 178.801 176.870 0.027 0.000 1.076 243 L CA 2.027 56.872 54.840 0.008 0.000 0.772 243 L CB -0.457 41.601 42.059 -0.002 0.000 0.892 243 L HN 0.575 nan 8.230 nan 0.000 0.435 244 E N -1.029 119.190 120.200 0.033 0.000 2.118 244 E HA -0.286 4.064 4.350 -0.000 0.000 0.195 244 E C 2.234 178.862 176.600 0.047 0.000 0.992 244 E CA 1.498 57.916 56.400 0.030 0.000 0.804 244 E CB -0.787 28.929 29.700 0.026 0.000 0.741 244 E HN 0.691 nan 8.360 nan 0.000 0.458 245 H N 0.500 119.557 119.070 -0.023 0.000 2.387 245 H HA 0.018 4.574 4.556 -0.000 0.000 0.299 245 H C 1.751 177.063 175.328 -0.026 0.000 1.090 245 H CA 1.620 57.654 56.048 -0.022 0.000 1.332 245 H CB 0.197 29.943 29.762 -0.027 0.000 1.386 245 H HN 0.122 nan 8.280 nan 0.000 0.516 246 A N 0.916 123.822 122.820 0.143 0.000 1.930 246 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 246 A C 2.849 180.434 177.584 0.001 0.000 1.176 246 A CA 0.690 52.772 52.037 0.075 0.000 0.632 246 A CB -0.622 18.402 19.000 0.039 0.000 0.819 246 A HN 0.388 nan 8.150 nan 0.000 0.445 247 L N -0.639 120.579 121.223 -0.007 0.000 2.056 247 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 247 L C 3.024 179.871 176.870 -0.038 0.000 1.078 247 L CA 0.994 55.821 54.840 -0.022 0.000 0.749 247 L CB -0.549 41.500 42.059 -0.017 0.000 0.901 247 L HN 0.414 nan 8.230 nan 0.000 0.433 248 A N 0.844 123.627 122.820 -0.060 0.000 2.076 248 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 248 A C 2.103 179.630 177.584 -0.095 0.000 1.160 248 A CA 1.765 53.750 52.037 -0.086 0.000 0.653 248 A CB -0.551 18.373 19.000 -0.127 0.000 0.801 248 A HN 0.615 nan 8.150 nan 0.000 0.455 249 R N -1.733 118.710 120.500 -0.095 0.000 2.577 249 R HA 0.384 4.724 4.340 -0.000 0.000 0.344 249 R C 0.824 177.105 176.300 -0.032 0.000 1.037 249 R CA 0.462 56.519 56.100 -0.071 0.000 1.102 249 R CB -0.752 29.496 30.300 -0.085 0.000 1.313 249 R HN 0.656 nan 8.270 nan 0.000 0.561 250 G N 1.063 109.847 108.800 -0.027 0.000 2.323 250 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.292 250 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.292 250 G C 0.332 175.231 174.900 -0.000 0.000 1.040 250 G CA 0.334 45.426 45.100 -0.013 0.000 0.942 250 G HN 0.724 nan 8.290 nan 0.000 0.506 251 A N -0.378 122.442 122.820 0.001 0.000 2.366 251 A HA 0.594 4.914 4.320 -0.000 0.000 0.249 251 A C 0.433 178.026 177.584 0.015 0.000 1.084 251 A CA 0.231 52.277 52.037 0.015 0.000 0.794 251 A CB 0.351 19.359 19.000 0.012 0.000 1.034 251 A HN 1.368 nan 8.150 nan 0.000 0.491 252 H N 0.822 119.839 119.070 -0.088 0.000 2.620 252 H HA 0.515 5.071 4.556 -0.000 0.000 0.313 252 H C -0.750 174.459 175.328 -0.198 0.000 1.075 252 H CA -0.446 55.501 56.048 -0.168 0.000 1.397 252 H CB 0.128 29.748 29.762 -0.237 0.000 1.446 252 H HN 0.409 nan 8.280 nan 0.000 0.493 253 I N 7.103 127.298 120.570 -0.624 0.000 2.330 253 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 253 I C 0.050 175.769 176.117 -0.663 0.000 1.001 253 I CA -0.482 60.523 61.300 -0.492 0.000 1.193 253 I CB 0.901 38.774 38.000 -0.212 0.000 1.345 253 I HN 0.752 nan 8.210 nan 0.000 0.461 254 Y N 5.168 125.201 120.300 -0.445 0.000 2.243 254 Y HA 0.220 4.770 4.550 -0.000 0.000 0.293 254 Y C 1.237 177.045 175.900 -0.153 0.000 1.124 254 Y CA 0.868 58.804 58.100 -0.273 0.000 1.159 254 Y CB 0.168 38.537 38.460 -0.151 0.000 1.008 254 Y HN 0.678 nan 8.280 nan 0.000 0.527 255 A N -0.722 122.117 122.820 0.032 0.000 2.522 255 A HA 0.383 4.703 4.320 -0.000 0.000 0.291 255 A C -1.508 176.070 177.584 -0.011 0.000 1.039 255 A CA -0.862 51.178 52.037 0.005 0.000 0.643 255 A CB 0.489 19.504 19.000 0.026 0.000 1.310 255 A HN 0.068 nan 8.150 nan 0.000 0.436 256 E N 0.561 120.754 120.200 -0.012 0.000 2.204 256 E HA 0.624 4.974 4.350 -0.000 0.000 0.276 256 E C -1.114 175.482 176.600 -0.007 0.000 0.974 256 E CA -0.606 55.786 56.400 -0.014 0.000 0.815 256 E CB 0.892 30.586 29.700 -0.010 0.000 1.119 256 E HN 0.494 nan 8.360 nan 0.000 0.393 257 I N 5.823 126.386 120.570 -0.013 0.000 2.291 257 I HA 0.043 4.213 4.170 -0.000 0.000 0.292 257 I C 1.004 177.131 176.117 0.017 0.000 1.064 257 I CA -0.330 60.968 61.300 -0.005 0.000 1.269 257 I CB 1.024 39.008 38.000 -0.027 0.000 1.418 257 I HN 0.526 nan 8.210 nan 0.000 0.485 258 V N 2.644 122.576 119.914 0.029 0.000 3.660 258 V HA 0.505 4.625 4.120 -0.000 0.000 0.276 258 V C 0.688 176.820 176.094 0.063 0.000 1.317 258 V CA 0.141 62.464 62.300 0.039 0.000 1.097 258 V CB 0.047 31.887 31.823 0.029 0.000 0.863 258 V HN 0.718 nan 8.190 nan 0.000 0.438 259 G N -0.385 108.465 108.800 0.082 0.000 2.766 259 G HA2 0.540 4.500 3.960 -0.000 0.000 0.297 259 G HA3 0.540 4.500 3.960 -0.000 0.000 0.297 259 G C -2.295 172.715 174.900 0.184 0.000 1.431 259 G CA -0.563 44.606 45.100 0.115 0.000 1.042 259 G HN 0.357 nan 8.290 nan 0.000 0.542 260 Y N 1.400 121.718 120.300 0.031 0.000 2.330 260 Y HA 0.675 5.225 4.550 -0.000 0.000 0.324 260 Y C -0.159 175.766 175.900 0.041 0.000 1.093 260 Y CA -1.187 56.929 58.100 0.028 0.000 1.103 260 Y CB 1.664 40.140 38.460 0.026 0.000 1.183 260 Y HN 0.839 nan 8.280 nan 0.000 0.433 261 G N 3.036 111.744 108.800 -0.154 0.000 2.416 261 G HA2 0.749 4.709 3.960 -0.000 0.000 0.329 261 G HA3 0.749 4.709 3.960 -0.000 0.000 0.329 261 G C -1.637 173.067 174.900 -0.327 0.000 1.173 261 G CA -0.636 44.301 45.100 -0.270 0.000 0.929 261 G HN 1.167 nan 8.290 nan 0.000 0.475 262 A N 1.441 124.088 122.820 -0.289 0.000 2.476 262 A HA 0.818 5.138 4.320 -0.000 0.000 0.280 262 A C 0.006 177.581 177.584 -0.015 0.000 1.081 262 A CA -0.115 51.890 52.037 -0.054 0.000 0.753 262 A CB 1.095 20.040 19.000 -0.091 0.000 1.248 262 A HN 1.482 nan 8.150 nan 0.000 0.424 263 T N -1.406 113.182 114.554 0.057 0.000 2.831 263 T HA 0.865 5.215 4.350 -0.000 0.000 0.287 263 T C -0.208 174.519 174.700 0.045 0.000 1.070 263 T CA -0.534 61.578 62.100 0.021 0.000 1.010 263 T CB 1.785 70.651 68.868 -0.003 0.000 1.264 263 T HN 1.284 nan 8.240 nan 0.000 0.532 264 S N -1.013 114.694 115.700 0.013 0.000 2.536 264 S HA 0.459 4.929 4.470 -0.000 0.000 0.287 264 S C -0.202 174.394 174.600 -0.006 0.000 1.101 264 S CA -0.633 57.576 58.200 0.016 0.000 0.950 264 S CB 1.602 64.806 63.200 0.008 0.000 1.056 264 S HN 0.695 nan 8.310 nan 0.000 0.481 265 D N 2.668 123.065 120.400 -0.005 0.000 2.137 265 D HA 0.154 4.794 4.640 -0.000 0.000 0.202 265 D C 1.471 177.762 176.300 -0.016 0.000 0.970 265 D CA 1.461 55.447 54.000 -0.023 0.000 0.837 265 D CB -0.541 40.243 40.800 -0.026 0.000 0.981 265 D HN 1.049 nan 8.370 nan 0.000 0.475 266 G N 0.302 109.098 108.800 -0.006 0.000 2.273 266 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.280 266 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.280 266 G C 0.659 175.554 174.900 -0.010 0.000 1.047 266 G CA 0.942 46.038 45.100 -0.007 0.000 0.869 266 G HN 0.624 nan 8.290 nan 0.000 0.502 267 A N -0.920 121.895 122.820 -0.010 0.000 1.857 267 A HA 0.677 4.997 4.320 -0.000 0.000 0.192 267 A C 0.474 178.050 177.584 -0.012 0.000 2.203 267 A CA 1.117 53.146 52.037 -0.013 0.000 1.377 267 A CB 0.313 19.303 19.000 -0.018 0.000 0.976 267 A HN 0.506 nan 8.150 nan 0.000 0.594 268 D N -1.559 118.833 120.400 -0.013 0.000 2.198 268 D HA 0.494 5.134 4.640 -0.000 0.000 0.247 268 D C 0.717 177.001 176.300 -0.027 0.000 1.010 268 D CA -0.469 53.518 54.000 -0.022 0.000 0.880 268 D CB 1.478 42.263 40.800 -0.024 0.000 1.209 268 D HN 0.144 nan 8.370 nan 0.000 0.451 269 M N 2.334 121.904 119.600 -0.050 0.000 2.200 269 M HA 0.038 4.518 4.480 -0.000 0.000 0.265 269 M C 0.760 176.957 176.300 -0.171 0.000 1.066 269 M CA 1.521 56.780 55.300 -0.068 0.000 1.127 269 M CB 0.228 32.785 32.600 -0.071 0.000 1.379 269 M HN 0.421 nan 8.290 nan 0.000 0.420 270 V N -1.373 118.387 119.914 -0.257 0.000 3.484 270 V HA 0.426 4.546 4.120 -0.000 0.000 0.252 270 V C 0.486 176.445 176.094 -0.225 0.000 1.282 270 V CA 0.395 62.364 62.300 -0.551 0.000 1.104 270 V CB 0.152 31.627 31.823 -0.581 0.000 0.868 270 V HN 0.328 nan 8.190 nan 0.000 0.457 271 A N 2.138 124.917 122.820 -0.068 0.000 2.317 271 A HA 0.781 5.101 4.320 -0.000 0.000 0.327 271 A C -2.667 174.941 177.584 0.040 0.000 1.178 271 A CA -1.656 50.399 52.037 0.030 0.000 0.817 271 A CB 0.654 19.668 19.000 0.023 0.000 1.189 271 A HN 0.150 nan 8.150 nan 0.000 0.489 272 P HA 0.067 nan 4.420 nan 0.000 0.269 272 P C 0.676 177.958 177.300 -0.029 0.000 1.215 272 P CA 0.142 63.243 63.100 0.001 0.000 0.780 272 P CB 1.242 32.931 31.700 -0.019 0.000 0.898 273 S N 0.921 116.583 115.700 -0.063 0.000 2.486 273 S HA 0.188 4.658 4.470 -0.000 0.000 0.220 273 S C 1.580 176.137 174.600 -0.071 0.000 1.011 273 S CA 0.842 59.010 58.200 -0.054 0.000 0.921 273 S CB -0.802 62.367 63.200 -0.051 0.000 0.785 273 S HN 0.743 nan 8.310 nan 0.000 0.517 274 G N 1.976 110.701 108.800 -0.125 0.000 2.812 274 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.219 274 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.219 274 G C 0.922 175.741 174.900 -0.135 0.000 1.275 274 G CA 0.509 45.530 45.100 -0.131 0.000 0.769 274 G HN 0.445 nan 8.290 nan 0.000 0.527 275 E N 1.833 121.976 120.200 -0.096 0.000 2.097 275 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 275 E C 2.613 179.154 176.600 -0.098 0.000 1.000 275 E CA 2.389 58.740 56.400 -0.081 0.000 0.804 275 E CB -0.951 28.715 29.700 -0.058 0.000 0.740 275 E HN 0.673 nan 8.360 nan 0.000 0.454 276 G N 0.631 109.359 108.800 -0.119 0.000 2.422 276 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 276 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 276 G C 1.722 176.528 174.900 -0.157 0.000 1.146 276 G CA 1.246 46.276 45.100 -0.116 0.000 0.769 276 G HN 0.431 nan 8.290 nan 0.000 0.547 277 A N 0.190 122.832 122.820 -0.296 0.000 1.902 277 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 277 A C 2.606 180.124 177.584 -0.110 0.000 1.181 277 A CA 1.737 53.548 52.037 -0.377 0.000 0.623 277 A CB -0.616 17.959 19.000 -0.708 0.000 0.818 277 A HN 0.236 nan 8.150 nan 0.000 0.443 278 V N 0.124 119.975 119.914 -0.104 0.000 2.233 278 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 278 V C 2.642 178.703 176.094 -0.055 0.000 1.050 278 V CA 2.398 64.659 62.300 -0.066 0.000 1.010 278 V CB -0.840 30.941 31.823 -0.069 0.000 0.637 278 V HN 0.539 nan 8.190 nan 0.000 0.444 279 R N -1.073 119.394 120.500 -0.056 0.000 2.105 279 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 279 R C 2.389 178.671 176.300 -0.030 0.000 1.135 279 R CA 1.735 57.807 56.100 -0.046 0.000 0.967 279 R CB -0.883 29.388 30.300 -0.048 0.000 0.861 279 R HN 0.592 nan 8.270 nan 0.000 0.442 280 C N 0.578 119.874 119.300 -0.007 0.000 2.453 280 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 280 C C 2.599 177.615 174.990 0.044 0.000 1.262 280 C CA 0.735 59.771 59.018 0.031 0.000 1.718 280 C CB -0.634 27.174 27.740 0.114 0.000 2.031 280 C HN 0.457 nan 8.230 nan 0.000 0.480 281 M N 0.183 119.820 119.600 0.061 0.000 2.132 281 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 281 M C 2.275 178.574 176.300 -0.001 0.000 1.065 281 M CA 1.748 57.081 55.300 0.056 0.000 1.122 281 M CB -0.492 32.148 32.600 0.067 0.000 1.365 281 M HN 0.366 nan 8.290 nan 0.000 0.411 282 K N 0.051 120.429 120.400 -0.038 0.000 2.097 282 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 282 K C 1.992 178.595 176.600 0.005 0.000 1.049 282 K CA 1.320 57.581 56.287 -0.044 0.000 0.933 282 K CB -0.224 32.243 32.500 -0.056 0.000 0.717 282 K HN 0.373 nan 8.250 nan 0.000 0.442 283 M N 0.511 120.108 119.600 -0.006 0.000 2.132 283 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 283 M C 2.103 178.419 176.300 0.027 0.000 1.065 283 M CA 1.635 56.929 55.300 -0.010 0.000 1.122 283 M CB -0.066 32.499 32.600 -0.059 0.000 1.365 283 M HN 0.148 nan 8.290 nan 0.000 0.411 284 A N 0.141 122.979 122.820 0.029 0.000 2.015 284 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 284 A C 1.969 179.599 177.584 0.076 0.000 1.163 284 A CA 1.386 53.458 52.037 0.060 0.000 0.646 284 A CB -0.591 18.452 19.000 0.072 0.000 0.806 284 A HN 0.634 nan 8.150 nan 0.000 0.448 285 M N -0.969 118.670 119.600 0.065 0.000 2.506 285 M HA 0.006 4.486 4.480 -0.000 0.000 0.260 285 M C 0.762 177.094 176.300 0.053 0.000 1.104 285 M CA 0.195 55.527 55.300 0.054 0.000 1.112 285 M CB -0.125 32.489 32.600 0.022 0.000 1.401 285 M HN 0.482 nan 8.290 nan 0.000 0.473 286 H N 0.775 119.841 119.070 -0.007 0.000 3.107 286 H HA 0.026 4.582 4.556 -0.000 0.000 0.301 286 H C 0.957 176.287 175.328 0.003 0.000 0.981 286 H CA 1.848 57.891 56.048 -0.008 0.000 1.443 286 H CB 0.328 30.081 29.762 -0.015 0.000 1.479 286 H HN 0.574 nan 8.280 nan 0.000 0.564 287 G N 3.969 112.516 108.800 -0.423 0.000 2.195 287 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 287 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 287 G C 0.077 174.919 174.900 -0.098 0.000 0.984 287 G CA 0.147 45.098 45.100 -0.249 0.000 0.633 287 G HN 0.620 nan 8.290 nan 0.000 0.525 288 V N 2.893 122.772 119.914 -0.059 0.000 2.372 288 V HA 0.361 4.481 4.120 -0.000 0.000 0.261 288 V C 1.336 177.418 176.094 -0.021 0.000 1.055 288 V CA 0.407 62.697 62.300 -0.016 0.000 0.930 288 V CB 1.141 32.974 31.823 0.017 0.000 1.031 288 V HN 0.488 nan 8.190 nan 0.000 0.479 289 D N 2.629 123.016 120.400 -0.021 0.000 2.277 289 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 289 D C 1.079 177.380 176.300 0.001 0.000 0.962 289 D CA 0.623 54.613 54.000 -0.017 0.000 0.865 289 D CB -0.201 40.588 40.800 -0.019 0.000 0.939 289 D HN 0.588 nan 8.370 nan 0.000 0.510 290 T N -1.846 112.715 114.554 0.011 0.000 2.918 290 T HA 0.512 4.862 4.350 -0.000 0.000 0.283 290 T C -2.315 172.407 174.700 0.037 0.000 1.001 290 T CA -1.623 60.489 62.100 0.020 0.000 1.041 290 T CB 1.720 70.600 68.868 0.019 0.000 1.028 290 T HN -0.088 nan 8.240 nan 0.000 0.511 291 P HA 0.354 nan 4.420 nan 0.000 0.279 291 P C -0.498 176.842 177.300 0.066 0.000 1.252 291 P CA -0.760 62.380 63.100 0.067 0.000 0.811 291 P CB 0.600 32.334 31.700 0.056 0.000 1.035 292 I N 2.760 123.386 120.570 0.092 0.000 2.379 292 I HA 0.026 4.196 4.170 -0.000 0.000 0.290 292 I C 1.291 177.396 176.117 -0.019 0.000 1.063 292 I CA 0.332 61.660 61.300 0.047 0.000 1.351 292 I CB 0.056 38.099 38.000 0.072 0.000 1.410 292 I HN 0.320 nan 8.210 nan 0.000 0.505 293 D N 5.024 125.430 120.400 0.011 0.000 2.183 293 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 293 D C 0.107 176.444 176.300 0.061 0.000 0.962 293 D CA 1.480 55.493 54.000 0.023 0.000 0.849 293 D CB 0.363 41.188 40.800 0.042 0.000 0.978 293 D HN 0.505 nan 8.370 nan 0.000 0.488 294 Y N 0.259 120.510 120.300 -0.082 0.000 2.492 294 Y HA 0.492 5.042 4.550 -0.000 0.000 0.346 294 Y C -1.810 174.040 175.900 -0.084 0.000 0.997 294 Y CA -1.193 56.852 58.100 -0.091 0.000 1.025 294 Y CB 1.555 39.965 38.460 -0.084 0.000 1.263 294 Y HN -0.233 nan 8.280 nan 0.000 0.454 295 L N 7.193 127.818 121.223 -0.998 0.000 2.372 295 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 295 L C -1.111 175.155 176.870 -1.007 0.000 0.989 295 L CA -0.471 53.904 54.840 -0.775 0.000 0.841 295 L CB 0.743 42.558 42.059 -0.407 0.000 1.225 295 L HN 0.778 nan 8.230 nan 0.000 0.414 296 N N 3.709 121.944 118.700 -0.774 0.000 2.482 296 N HA 0.092 4.832 4.740 -0.000 0.000 0.242 296 N C -0.223 175.185 175.510 -0.169 0.000 1.100 296 N CA -0.146 52.699 53.050 -0.342 0.000 0.946 296 N CB 0.915 39.395 38.487 -0.013 0.000 1.227 296 N HN 0.723 nan 8.380 nan 0.000 0.508 297 S N 2.702 118.342 115.700 -0.100 0.000 2.596 297 S HA -0.015 4.455 4.470 -0.000 0.000 0.260 297 S C 1.302 175.879 174.600 -0.039 0.000 1.336 297 S CA -0.184 58.005 58.200 -0.018 0.000 0.993 297 S CB 1.067 64.337 63.200 0.117 0.000 0.923 297 S HN 0.724 nan 8.310 nan 0.000 0.567 298 H N 1.788 120.760 119.070 -0.164 0.000 2.333 298 H HA 0.163 4.719 4.556 0.000 0.000 0.302 298 H C 1.583 176.795 175.328 -0.193 0.000 1.075 298 H CA 1.229 57.130 56.048 -0.245 0.000 1.348 298 H CB -1.098 28.475 29.762 -0.315 0.000 1.393 298 H HN 1.057 nan 8.280 nan 0.000 0.509 299 G N 0.943 109.647 108.800 -0.160 0.000 2.394 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 299 G C 1.021 175.652 174.900 -0.449 0.000 0.282 299 G CA 0.986 45.906 45.100 -0.301 0.000 1.090 299 G HN 0.759 nan 8.290 nan 0.000 0.486 300 T N -1.214 113.058 114.554 -0.471 0.000 3.113 300 T HA 0.340 4.690 4.350 -0.000 0.000 0.256 300 T C 1.382 175.979 174.700 -0.172 0.000 1.131 300 T CA 1.043 62.869 62.100 -0.456 0.000 1.074 300 T CB 0.250 68.793 68.868 -0.542 0.000 0.944 300 T HN 1.955 nan 8.240 nan 0.000 0.516 301 S N 0.794 116.393 115.700 -0.167 0.000 3.807 301 S HA -0.136 4.334 4.470 -0.000 0.000 0.304 301 S C 0.196 174.810 174.600 0.025 0.000 1.152 301 S CA 0.592 58.735 58.200 -0.095 0.000 0.852 301 S CB -2.191 60.963 63.200 -0.076 0.000 0.924 301 S HN 1.281 nan 8.310 nan 0.000 0.545 302 T N -1.292 113.297 114.554 0.058 0.000 2.918 302 T HA 0.721 5.071 4.350 -0.000 0.000 0.286 302 T C -1.515 173.245 174.700 0.100 0.000 1.026 302 T CA -1.564 60.612 62.100 0.127 0.000 1.031 302 T CB 1.708 70.700 68.868 0.207 0.000 1.046 302 T HN -0.046 nan 8.240 nan 0.000 0.479 303 P HA -0.117 nan 4.420 nan 0.000 0.213 303 P C 1.686 179.040 177.300 0.090 0.000 1.170 303 P CA 0.729 63.881 63.100 0.086 0.000 0.902 303 P CB -0.059 31.689 31.700 0.081 0.000 0.789 304 V N -0.392 119.582 119.914 0.100 0.000 2.302 304 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 304 V C 2.599 178.761 176.094 0.114 0.000 1.036 304 V CA 2.398 64.756 62.300 0.096 0.000 1.020 304 V CB -1.984 29.894 31.823 0.092 0.000 0.657 304 V HN 0.169 nan 8.190 nan 0.000 0.453 305 G N 0.179 109.065 108.800 0.144 0.000 2.514 305 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.217 305 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.217 305 G C 1.204 176.203 174.900 0.166 0.000 1.198 305 G CA 1.364 46.567 45.100 0.172 0.000 0.780 305 G HN 0.493 nan 8.290 nan 0.000 0.565 306 D N 0.083 120.563 120.400 0.133 0.000 2.149 306 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 306 D C 2.900 179.340 176.300 0.233 0.000 1.001 306 D CA 1.873 55.973 54.000 0.168 0.000 0.849 306 D CB -0.616 40.250 40.800 0.110 0.000 0.939 306 D HN 0.382 nan 8.370 nan 0.000 0.449 307 V N -1.175 118.837 119.914 0.162 0.000 2.453 307 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 307 V C 1.996 178.150 176.094 0.100 0.000 1.048 307 V CA 0.976 63.352 62.300 0.125 0.000 1.049 307 V CB -0.417 31.458 31.823 0.086 0.000 0.672 307 V HN -0.077 nan 8.190 nan 0.000 0.457 308 K N 1.105 121.560 120.400 0.092 0.000 2.032 308 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 308 K C 2.181 178.816 176.600 0.058 0.000 1.048 308 K CA 2.246 58.565 56.287 0.055 0.000 0.927 308 K CB -0.570 31.953 32.500 0.038 0.000 0.712 308 K HN 0.787 nan 8.250 nan 0.000 0.441 309 E N 0.917 121.193 120.200 0.126 0.000 2.072 309 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 309 E C 2.151 178.848 176.600 0.161 0.000 0.985 309 E CA 0.582 57.091 56.400 0.183 0.000 0.801 309 E CB -0.008 29.903 29.700 0.351 0.000 0.750 309 E HN 0.173 nan 8.360 nan 0.000 0.452 310 L N 0.422 121.734 121.223 0.148 0.000 2.046 310 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 310 L C 2.672 179.577 176.870 0.058 0.000 1.077 310 L CA 1.116 56.004 54.840 0.079 0.000 0.747 310 L CB -0.483 41.598 42.059 0.037 0.000 0.896 310 L HN 0.260 nan 8.230 nan 0.000 0.432 311 A N -0.145 122.706 122.820 0.052 0.000 1.898 311 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 311 A C 2.514 180.117 177.584 0.032 0.000 1.181 311 A CA 1.626 53.683 52.037 0.033 0.000 0.620 311 A CB -0.614 18.398 19.000 0.021 0.000 0.819 311 A HN 0.409 nan 8.150 nan 0.000 0.442 312 A N 0.002 122.841 122.820 0.033 0.000 1.902 312 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 312 A C 2.114 179.738 177.584 0.067 0.000 1.181 312 A CA 1.489 53.538 52.037 0.019 0.000 0.623 312 A CB -0.601 18.391 19.000 -0.014 0.000 0.818 312 A HN 0.494 nan 8.150 nan 0.000 0.443 313 I N -1.092 119.558 120.570 0.132 0.000 2.179 313 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 313 I C 2.743 179.008 176.117 0.247 0.000 1.088 313 I CA 1.671 63.117 61.300 0.244 0.000 1.357 313 I CB -0.338 37.787 38.000 0.207 0.000 1.051 313 I HN 0.355 nan 8.210 nan 0.000 0.409 314 R N 0.756 121.335 120.500 0.132 0.000 2.081 314 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 314 R C 2.265 178.605 176.300 0.066 0.000 1.131 314 R CA 1.360 57.520 56.100 0.100 0.000 0.960 314 R CB -0.094 30.235 30.300 0.050 0.000 0.856 314 R HN 0.263 nan 8.270 nan 0.000 0.436 315 E N 0.084 120.301 120.200 0.029 0.000 2.118 315 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 315 E C 1.902 178.465 176.600 -0.062 0.000 0.992 315 E CA 1.250 57.642 56.400 -0.013 0.000 0.804 315 E CB 0.079 29.764 29.700 -0.024 0.000 0.741 315 E HN 0.206 nan 8.360 nan 0.000 0.458 316 V N -0.416 119.432 119.914 -0.110 0.000 2.535 316 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 316 V C 1.631 177.428 176.094 -0.495 0.000 1.045 316 V CA 1.269 63.359 62.300 -0.351 0.000 1.058 316 V CB -0.342 31.148 31.823 -0.555 0.000 0.689 316 V HN 0.137 nan 8.190 nan 0.000 0.461 317 F N -0.325 119.624 119.950 -0.001 0.000 2.704 317 F HA 0.531 5.058 4.527 0.000 0.000 0.304 317 F C 1.878 177.674 175.800 -0.005 0.000 1.094 317 F CA 0.527 58.525 58.000 -0.003 0.000 1.275 317 F CB -0.178 38.819 39.000 -0.006 0.000 1.073 317 F HN 0.223 nan 8.300 nan 0.000 0.586 318 G N 1.209 110.086 108.800 0.128 0.000 2.672 318 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.332 318 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.332 318 G C 0.968 175.918 174.900 0.083 0.000 1.213 318 G CA 1.115 46.261 45.100 0.077 0.000 0.980 318 G HN 0.290 nan 8.290 nan 0.000 0.548 319 D N 0.513 120.953 120.400 0.068 0.000 2.388 319 D HA 0.063 4.702 4.640 -0.000 0.000 0.208 319 D C 1.608 177.939 176.300 0.052 0.000 1.035 319 D CA 0.223 54.252 54.000 0.048 0.000 0.875 319 D CB 0.103 40.921 40.800 0.030 0.000 0.984 319 D HN 0.230 nan 8.370 nan 0.000 0.508 320 K N 2.405 122.855 120.400 0.082 0.000 3.322 320 K HA 0.032 4.352 4.320 -0.000 0.000 0.291 320 K C -0.097 176.542 176.600 0.065 0.000 1.131 320 K CA -0.064 56.268 56.287 0.076 0.000 1.185 320 K CB -0.782 31.780 32.500 0.102 0.000 1.338 320 K HN -0.111 nan 8.250 nan 0.000 0.380 321 S N 2.426 118.132 115.700 0.011 0.000 2.549 321 S HA 0.162 4.632 4.470 -0.000 0.000 0.286 321 S C -2.025 172.433 174.600 -0.236 0.000 1.314 321 S CA -0.917 57.213 58.200 -0.118 0.000 1.062 321 S CB 0.445 63.598 63.200 -0.078 0.000 0.865 321 S HN 0.318 nan 8.310 nan 0.000 0.498 322 P HA 0.367 nan 4.420 nan 0.000 0.284 322 P C -1.053 176.119 177.300 -0.214 0.000 1.292 322 P CA -0.724 62.167 63.100 -0.349 0.000 0.800 322 P CB 0.539 31.915 31.700 -0.540 0.000 1.188 323 A N 0.692 123.457 122.820 -0.090 0.000 2.440 323 A HA 0.455 4.775 4.320 -0.000 0.000 0.251 323 A C 0.233 177.817 177.584 0.000 0.000 1.089 323 A CA -0.039 52.008 52.037 0.016 0.000 0.779 323 A CB -0.815 18.262 19.000 0.128 0.000 1.022 323 A HN 0.431 nan 8.150 nan 0.000 0.492 324 I N 1.637 122.211 120.570 0.008 0.000 2.608 324 I HA 0.559 4.729 4.170 -0.000 0.000 0.295 324 I C -0.069 176.125 176.117 0.129 0.000 1.049 324 I CA -0.263 61.019 61.300 -0.031 0.000 1.063 324 I CB 2.575 40.519 38.000 -0.094 0.000 1.248 324 I HN 0.768 nan 8.210 nan 0.000 0.424 325 S N 3.557 119.367 115.700 0.183 0.000 2.548 325 S HA 0.782 5.252 4.470 -0.000 0.000 0.278 325 S C -1.062 173.652 174.600 0.191 0.000 1.150 325 S CA -0.819 57.527 58.200 0.243 0.000 0.907 325 S CB 1.751 65.118 63.200 0.278 0.000 1.108 325 S HN 0.810 nan 8.310 nan 0.000 0.459 326 A N 2.404 125.312 122.820 0.147 0.000 2.280 326 A HA 0.610 4.930 4.320 -0.000 0.000 0.320 326 A C 1.239 178.816 177.584 -0.011 0.000 1.366 326 A CA -0.171 51.874 52.037 0.012 0.000 0.938 326 A CB -0.104 18.794 19.000 -0.170 0.000 1.157 326 A HN 1.412 nan 8.150 nan 0.000 0.536 327 T N 0.146 114.708 114.554 0.013 0.000 3.035 327 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 327 T C 1.338 176.003 174.700 -0.058 0.000 1.109 327 T CA 1.151 63.235 62.100 -0.026 0.000 1.119 327 T CB -0.263 68.596 68.868 -0.016 0.000 0.900 327 T HN 0.636 nan 8.240 nan 0.000 0.503 328 K N 1.143 121.497 120.400 -0.076 0.000 2.280 328 K HA 0.147 4.467 4.320 -0.000 0.000 0.202 328 K C 2.601 179.151 176.600 -0.084 0.000 1.047 328 K CA 0.883 57.113 56.287 -0.095 0.000 0.942 328 K CB -0.350 32.029 32.500 -0.202 0.000 0.739 328 K HN 0.492 nan 8.250 nan 0.000 0.457 329 A N 0.926 123.688 122.820 -0.096 0.000 2.019 329 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 329 A C 1.998 179.549 177.584 -0.056 0.000 1.164 329 A CA 1.382 53.370 52.037 -0.082 0.000 0.644 329 A CB -0.245 18.708 19.000 -0.078 0.000 0.805 329 A HN 0.196 nan 8.150 nan 0.000 0.449 330 M N -1.312 118.251 119.600 -0.061 0.000 2.412 330 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 330 M C 2.373 178.644 176.300 -0.048 0.000 1.122 330 M CA 1.669 56.932 55.300 -0.061 0.000 1.179 330 M CB -0.118 32.424 32.600 -0.097 0.000 1.335 330 M HN 0.596 nan 8.290 nan 0.000 0.465 331 T N -2.173 112.351 114.554 -0.051 0.000 3.035 331 T HA 0.409 4.759 4.350 -0.000 0.000 0.259 331 T C 1.061 175.774 174.700 0.022 0.000 1.078 331 T CA 0.536 62.628 62.100 -0.014 0.000 1.132 331 T CB -0.082 68.800 68.868 0.024 0.000 0.900 331 T HN 0.557 nan 8.240 nan 0.000 0.480 332 G N 0.948 109.762 108.800 0.025 0.000 2.685 332 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.387 332 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.387 332 G C -0.974 173.976 174.900 0.085 0.000 1.324 332 G CA -0.385 44.758 45.100 0.072 0.000 0.878 332 G HN 0.790 nan 8.290 nan 0.000 0.527 333 H N 0.796 119.859 119.070 -0.012 0.000 2.741 333 H HA 0.596 5.152 4.556 -0.000 0.000 0.282 333 H C 1.681 176.935 175.328 -0.123 0.000 1.122 333 H CA 0.006 55.966 56.048 -0.147 0.000 1.293 333 H CB 0.622 30.159 29.762 -0.376 0.000 1.415 333 H HN 0.844 nan 8.280 nan 0.000 0.472 334 S N 4.667 120.433 115.700 0.110 0.000 2.701 334 S HA 0.091 4.561 4.470 -0.000 0.000 0.220 334 S C 1.355 175.890 174.600 -0.109 0.000 0.954 334 S CA 0.109 58.295 58.200 -0.023 0.000 0.936 334 S CB -0.574 62.621 63.200 -0.009 0.000 0.777 334 S HN 0.722 nan 8.310 nan 0.000 0.518 335 L N -0.028 121.008 121.223 -0.311 0.000 4.782 335 L HA -0.353 3.987 4.340 -0.000 0.000 0.053 335 L C 2.261 179.072 176.870 -0.098 0.000 3.426 335 L CA 1.505 56.114 54.840 -0.386 0.000 1.357 335 L CB -2.086 39.753 42.059 -0.366 0.000 3.081 335 L HN 0.429 nan 8.230 nan 0.000 0.912 336 G N -1.135 107.628 108.800 -0.062 0.000 2.470 336 G HA2 0.064 4.024 3.960 -0.000 0.000 0.220 336 G HA3 0.064 4.024 3.960 -0.000 0.000 0.220 336 G C 1.245 176.141 174.900 -0.006 0.000 1.121 336 G CA 1.222 46.317 45.100 -0.009 0.000 0.766 336 G HN 0.847 nan 8.290 nan 0.000 0.553 337 A N 0.250 123.061 122.820 -0.015 0.000 2.238 337 A HA 0.666 4.986 4.320 -0.000 0.000 0.210 337 A C 2.518 180.071 177.584 -0.051 0.000 1.179 337 A CA 1.229 53.249 52.037 -0.027 0.000 0.827 337 A CB -0.172 18.815 19.000 -0.021 0.000 0.856 337 A HN 0.502 nan 8.150 nan 0.000 0.488 338 A N 0.195 123.003 122.820 -0.020 0.000 1.908 338 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 338 A C 2.343 179.885 177.584 -0.070 0.000 1.181 338 A CA 1.954 53.984 52.037 -0.012 0.000 0.627 338 A CB -1.316 17.736 19.000 0.087 0.000 0.818 338 A HN 0.688 nan 8.150 nan 0.000 0.445 339 G N -0.865 107.894 108.800 -0.069 0.000 2.491 339 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 339 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 339 G C 1.664 176.481 174.900 -0.140 0.000 1.180 339 G CA 1.445 46.480 45.100 -0.108 0.000 0.774 339 G HN 0.669 nan 8.290 nan 0.000 0.562 340 V N 0.040 119.871 119.914 -0.139 0.000 2.591 340 V HA -0.067 4.053 4.120 -0.000 0.000 0.249 340 V C 2.695 178.633 176.094 -0.259 0.000 1.053 340 V CA 2.296 64.495 62.300 -0.170 0.000 1.068 340 V CB -0.189 31.555 31.823 -0.132 0.000 0.689 340 V HN 0.510 nan 8.190 nan 0.000 0.462 341 Q N -0.359 119.256 119.800 -0.307 0.000 2.079 341 Q HA -0.245 4.095 4.340 -0.000 0.000 0.200 341 Q C 2.164 177.588 176.000 -0.960 0.000 0.974 341 Q CA 2.104 57.562 55.803 -0.574 0.000 0.840 341 Q CB -0.132 28.342 28.738 -0.439 0.000 0.898 341 Q HN 0.703 nan 8.270 nan 0.000 0.430 342 E N 0.350 120.236 120.200 -0.523 0.000 2.208 342 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 342 E C 1.831 178.317 176.600 -0.190 0.000 0.988 342 E CA 0.730 56.960 56.400 -0.284 0.000 0.828 342 E CB 0.008 29.666 29.700 -0.070 0.000 0.763 342 E HN 0.333 nan 8.360 nan 0.000 0.478 343 A N 0.739 123.432 122.820 -0.212 0.000 1.929 343 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 343 A C 2.082 179.569 177.584 -0.162 0.000 1.176 343 A CA 0.804 52.753 52.037 -0.147 0.000 0.628 343 A CB -0.346 18.563 19.000 -0.151 0.000 0.816 343 A HN 0.145 nan 8.150 nan 0.000 0.444 344 I N -1.482 118.929 120.570 -0.265 0.000 2.252 344 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 344 I C 2.192 178.253 176.117 -0.094 0.000 1.102 344 I CA 1.079 62.235 61.300 -0.239 0.000 1.385 344 I CB -0.385 37.437 38.000 -0.296 0.000 1.064 344 I HN 0.361 nan 8.210 nan 0.000 0.414 345 Y N 0.796 121.070 120.300 -0.043 0.000 2.224 345 Y HA -0.183 4.367 4.550 -0.000 0.000 0.289 345 Y C 2.918 178.791 175.900 -0.044 0.000 1.146 345 Y CA 0.741 58.825 58.100 -0.026 0.000 1.182 345 Y CB -1.308 37.146 38.460 -0.009 0.000 0.983 345 Y HN 0.102 nan 8.280 nan 0.000 0.524 346 S N 0.037 115.813 115.700 0.127 0.000 2.368 346 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 346 S C 2.163 176.778 174.600 0.025 0.000 1.029 346 S CA 0.998 59.256 58.200 0.097 0.000 0.988 346 S CB -0.607 62.664 63.200 0.118 0.000 0.838 346 S HN 0.354 nan 8.310 nan 0.000 0.462 347 L N 1.071 122.294 121.223 -0.001 0.000 2.083 347 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 347 L C 2.154 179.064 176.870 0.067 0.000 1.083 347 L CA 0.962 55.799 54.840 -0.004 0.000 0.752 347 L CB -0.521 41.465 42.059 -0.122 0.000 0.899 347 L HN 0.300 nan 8.230 nan 0.000 0.433 348 L N -1.208 120.068 121.223 0.089 0.000 2.141 348 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 348 L C 2.584 179.570 176.870 0.192 0.000 1.094 348 L CA 1.114 56.103 54.840 0.249 0.000 0.763 348 L CB -0.299 41.907 42.059 0.245 0.000 0.908 348 L HN 0.322 nan 8.230 nan 0.000 0.437 349 M N -0.854 118.665 119.600 -0.135 0.000 2.200 349 M HA -0.191 4.289 4.480 -0.000 0.000 0.265 349 M C 2.270 178.435 176.300 -0.225 0.000 1.066 349 M CA 1.450 56.427 55.300 -0.539 0.000 1.127 349 M CB -0.225 31.927 32.600 -0.746 0.000 1.379 349 M HN 0.208 nan 8.290 nan 0.000 0.420 350 L N 0.615 121.788 121.223 -0.084 0.000 2.056 350 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 350 L C 2.216 179.095 176.870 0.015 0.000 1.078 350 L CA 1.963 56.791 54.840 -0.020 0.000 0.749 350 L CB -0.530 41.540 42.059 0.018 0.000 0.901 350 L HN 0.198 nan 8.230 nan 0.000 0.433 351 E N -1.072 119.161 120.200 0.056 0.000 2.072 351 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 351 E C 1.658 178.148 176.600 -0.182 0.000 0.985 351 E CA 1.565 57.951 56.400 -0.023 0.000 0.801 351 E CB -0.123 29.616 29.700 0.064 0.000 0.750 351 E HN 0.642 nan 8.360 nan 0.000 0.452 352 H N -1.275 117.891 119.070 0.160 0.000 2.520 352 H HA 0.279 4.835 4.556 -0.000 0.000 0.284 352 H C 0.521 175.985 175.328 0.227 0.000 1.037 352 H CA 0.411 56.585 56.048 0.210 0.000 1.168 352 H CB 0.522 30.472 29.762 0.312 0.000 1.497 352 H HN 0.295 nan 8.280 nan 0.000 0.547 353 G N 2.087 110.998 108.800 0.185 0.000 2.350 353 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.298 353 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.298 353 G C -0.209 174.812 174.900 0.201 0.000 1.037 353 G CA 0.830 46.006 45.100 0.127 0.000 1.074 353 G HN 0.533 nan 8.290 nan 0.000 0.511 354 F N -1.863 118.074 119.950 -0.023 0.000 2.693 354 F HA 0.805 5.332 4.527 0.000 0.000 0.309 354 F C -0.892 174.816 175.800 -0.154 0.000 1.129 354 F CA -2.334 55.628 58.000 -0.063 0.000 0.948 354 F CB 1.175 40.150 39.000 -0.040 0.000 1.315 354 F HN 0.037 nan 8.300 nan 0.000 0.447 355 I N 2.982 123.436 120.570 -0.193 0.000 2.355 355 I HA 0.580 4.750 4.170 -0.000 0.000 0.288 355 I C 0.173 176.210 176.117 -0.133 0.000 0.999 355 I CA -1.083 59.962 61.300 -0.425 0.000 1.163 355 I CB 1.530 39.369 38.000 -0.268 0.000 1.316 355 I HN 0.966 nan 8.210 nan 0.000 0.454 356 A N 9.495 132.165 122.820 -0.251 0.000 2.498 356 A HA 0.391 4.711 4.320 -0.000 0.000 0.239 356 A C -2.261 175.341 177.584 0.030 0.000 1.068 356 A CA -0.844 51.224 52.037 0.052 0.000 0.766 356 A CB -0.425 18.575 19.000 -0.001 0.000 1.003 356 A HN 0.445 nan 8.150 nan 0.000 0.497 357 P HA 0.125 nan 4.420 nan 0.000 0.277 357 P C -0.344 176.986 177.300 0.051 0.000 1.240 357 P CA -0.230 62.901 63.100 0.051 0.000 0.798 357 P CB 1.186 32.908 31.700 0.038 0.000 0.979 358 S N 2.449 118.192 115.700 0.072 0.000 2.415 358 S HA 0.385 4.855 4.470 -0.000 0.000 0.313 358 S C 0.582 175.214 174.600 0.052 0.000 1.067 358 S CA -0.848 57.400 58.200 0.080 0.000 1.099 358 S CB -1.294 61.999 63.200 0.155 0.000 0.991 358 S HN 0.348 nan 8.310 nan 0.000 0.491 359 I N 2.082 122.662 120.570 0.018 0.000 3.110 359 I HA 0.493 4.663 4.170 -0.000 0.000 0.314 359 I C 0.387 176.501 176.117 -0.004 0.000 1.020 359 I CA -0.614 60.689 61.300 0.006 0.000 1.169 359 I CB 0.343 38.338 38.000 -0.009 0.000 1.437 359 I HN 0.548 nan 8.210 nan 0.000 0.595 360 N N 0.911 119.606 118.700 -0.007 0.000 2.741 360 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 360 N C -0.488 175.021 175.510 -0.002 0.000 1.112 360 N CA 0.944 53.981 53.050 -0.021 0.000 0.750 360 N CB -1.473 36.976 38.487 -0.063 0.000 1.119 360 N HN 0.605 nan 8.380 nan 0.000 0.561 361 I N 1.394 121.981 120.570 0.028 0.000 2.256 361 I HA 0.044 4.214 4.170 -0.000 0.000 0.294 361 I C 1.436 177.586 176.117 0.055 0.000 1.127 361 I CA -0.024 61.309 61.300 0.055 0.000 1.247 361 I CB 0.354 38.404 38.000 0.083 0.000 1.460 361 I HN 0.032 nan 8.210 nan 0.000 0.511 362 E N 3.731 123.970 120.200 0.065 0.000 2.122 362 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 362 E C 0.574 177.225 176.600 0.085 0.000 0.977 362 E CA 0.638 57.082 56.400 0.072 0.000 0.820 362 E CB 0.436 30.186 29.700 0.084 0.000 0.770 362 E HN 0.505 nan 8.360 nan 0.000 0.462 363 E N 1.294 121.555 120.200 0.102 0.000 2.460 363 E HA 0.129 4.479 4.350 -0.000 0.000 0.249 363 E C -1.274 175.359 176.600 0.054 0.000 0.962 363 E CA -0.577 55.874 56.400 0.084 0.000 0.787 363 E CB 0.866 30.639 29.700 0.122 0.000 1.341 363 E HN -0.061 nan 8.360 nan 0.000 0.407 364 L N 3.699 124.951 121.223 0.047 0.000 2.559 364 L HA 0.005 4.345 4.340 -0.000 0.000 0.282 364 L C 0.288 177.173 176.870 0.025 0.000 1.232 364 L CA 0.875 55.741 54.840 0.042 0.000 0.885 364 L CB 0.474 42.546 42.059 0.022 0.000 1.131 364 L HN 0.549 nan 8.230 nan 0.000 0.498 365 D N 3.507 123.930 120.400 0.038 0.000 2.414 365 D HA -0.040 4.600 4.640 -0.000 0.000 0.242 365 D C 0.829 177.133 176.300 0.006 0.000 1.129 365 D CA 0.094 54.108 54.000 0.023 0.000 0.885 365 D CB 0.891 41.727 40.800 0.061 0.000 1.198 365 D HN 0.675 nan 8.370 nan 0.000 0.437 366 E N 2.028 122.230 120.200 0.002 0.000 2.085 366 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 366 E C 1.552 178.150 176.600 -0.004 0.000 0.994 366 E CA 0.971 57.370 56.400 -0.001 0.000 0.801 366 E CB 0.040 29.741 29.700 0.002 0.000 0.743 366 E HN 0.593 nan 8.360 nan 0.000 0.453 367 Q N -0.291 119.510 119.800 0.002 0.000 2.561 367 Q HA -0.035 4.305 4.340 -0.000 0.000 0.217 367 Q C 1.516 177.503 176.000 -0.022 0.000 0.980 367 Q CA 0.600 56.404 55.803 0.000 0.000 0.927 367 Q CB 0.111 28.860 28.738 0.018 0.000 0.980 367 Q HN 0.187 nan 8.270 nan 0.000 0.525 368 A N 0.488 123.282 122.820 -0.044 0.000 2.267 368 A HA 0.401 4.721 4.320 -0.000 0.000 0.213 368 A C 0.991 178.527 177.584 -0.081 0.000 1.192 368 A CA 0.085 52.058 52.037 -0.107 0.000 0.851 368 A CB 0.181 19.082 19.000 -0.164 0.000 0.881 368 A HN 0.296 nan 8.150 nan 0.000 0.494 369 A N -0.735 122.059 122.820 -0.044 0.000 2.561 369 A HA 0.401 4.721 4.320 -0.000 0.000 0.234 369 A C 1.704 179.270 177.584 -0.030 0.000 1.055 369 A CA 0.818 52.837 52.037 -0.030 0.000 0.756 369 A CB -0.655 18.336 19.000 -0.015 0.000 0.986 369 A HN 1.999 nan 8.150 nan 0.000 0.505 370 G N 0.532 109.317 108.800 -0.026 0.000 2.184 370 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.264 370 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.264 370 G C 0.084 174.966 174.900 -0.029 0.000 0.975 370 G CA 0.596 45.684 45.100 -0.020 0.000 0.642 370 G HN 0.833 nan 8.290 nan 0.000 0.536 371 L N -0.094 121.098 121.223 -0.052 0.000 2.344 371 L HA 0.492 4.832 4.340 -0.000 0.000 0.272 371 L C 0.448 177.273 176.870 -0.075 0.000 1.035 371 L CA -1.109 53.688 54.840 -0.071 0.000 0.807 371 L CB 1.374 43.367 42.059 -0.110 0.000 1.237 371 L HN 0.063 nan 8.230 nan 0.000 0.442 372 N N 2.545 121.198 118.700 -0.078 0.000 3.124 372 N HA 0.253 4.993 4.740 -0.000 0.000 0.284 372 N C -0.754 174.722 175.510 -0.057 0.000 1.209 372 N CA -0.029 52.985 53.050 -0.059 0.000 1.149 372 N CB -0.265 38.189 38.487 -0.055 0.000 1.434 372 N HN 0.398 nan 8.380 nan 0.000 0.529 373 I N 2.144 122.676 120.570 -0.062 0.000 2.312 373 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 373 I C -0.062 176.061 176.117 0.011 0.000 1.031 373 I CA -0.855 60.418 61.300 -0.044 0.000 1.293 373 I CB 1.154 39.090 38.000 -0.108 0.000 1.403 373 I HN -0.040 nan 8.210 nan 0.000 0.484 374 V N 5.916 125.860 119.914 0.050 0.000 2.408 374 V HA 0.073 4.193 4.120 -0.000 0.000 0.267 374 V C 1.213 177.346 176.094 0.064 0.000 1.047 374 V CA -0.055 62.279 62.300 0.056 0.000 0.937 374 V CB 0.940 32.805 31.823 0.069 0.000 0.999 374 V HN 0.904 nan 8.190 nan 0.000 0.472 375 T N 0.556 115.138 114.554 0.048 0.000 3.054 375 T HA 0.246 4.596 4.350 -0.000 0.000 0.255 375 T C 0.246 174.968 174.700 0.036 0.000 1.035 375 T CA -0.114 62.014 62.100 0.047 0.000 0.941 375 T CB -0.107 68.786 68.868 0.041 0.000 1.026 375 T HN 0.810 nan 8.240 nan 0.000 0.533 376 E N 0.466 120.686 120.200 0.034 0.000 2.308 376 E HA 0.386 4.736 4.350 -0.000 0.000 0.275 376 E C -1.427 175.194 176.600 0.035 0.000 0.890 376 E CA -1.016 55.400 56.400 0.027 0.000 0.754 376 E CB 1.092 30.803 29.700 0.019 0.000 1.207 376 E HN -0.079 nan 8.360 nan 0.000 0.426 377 T N 2.671 117.246 114.554 0.036 0.000 2.800 377 T HA 0.059 4.409 4.350 -0.000 0.000 0.283 377 T C -0.381 174.354 174.700 0.058 0.000 0.999 377 T CA 0.577 62.715 62.100 0.062 0.000 1.176 377 T CB 0.074 68.954 68.868 0.020 0.000 0.973 377 T HN 0.435 nan 8.240 nan 0.000 0.519 378 T N 4.469 119.075 114.554 0.087 0.000 2.847 378 T HA 0.209 4.559 4.350 -0.000 0.000 0.291 378 T C -0.346 174.410 174.700 0.093 0.000 0.998 378 T CA -0.902 61.236 62.100 0.063 0.000 0.967 378 T CB 0.972 69.862 68.868 0.036 0.000 0.954 378 T HN 0.478 nan 8.240 nan 0.000 0.441 379 D N 3.024 123.473 120.400 0.081 0.000 2.383 379 D HA 0.369 5.009 4.640 -0.000 0.000 0.252 379 D C 0.373 176.710 176.300 0.062 0.000 1.166 379 D CA 0.148 54.207 54.000 0.098 0.000 0.879 379 D CB 1.190 42.029 40.800 0.064 0.000 1.164 379 D HN 0.347 nan 8.370 nan 0.000 0.462 380 R N 1.192 121.727 120.500 0.059 0.000 2.579 380 R HA 0.081 4.421 4.340 -0.000 0.000 0.260 380 R C -1.260 175.053 176.300 0.021 0.000 1.103 380 R CA -0.651 55.465 56.100 0.027 0.000 0.942 380 R CB 1.442 31.746 30.300 0.008 0.000 1.251 380 R HN 0.329 nan 8.270 nan 0.000 0.450 381 E N 5.160 125.370 120.200 0.018 0.000 2.217 381 E HA 0.185 4.535 4.350 -0.000 0.000 0.279 381 E C -0.834 175.770 176.600 0.006 0.000 1.068 381 E CA -0.236 56.173 56.400 0.014 0.000 0.882 381 E CB 0.539 30.247 29.700 0.014 0.000 1.039 381 E HN 0.421 nan 8.360 nan 0.000 0.418 382 L N 3.712 124.934 121.223 -0.002 0.000 2.352 382 L HA 0.372 4.712 4.340 -0.000 0.000 0.269 382 L C 0.781 177.656 176.870 0.008 0.000 1.034 382 L CA -0.531 54.308 54.840 -0.001 0.000 0.806 382 L CB 1.809 43.854 42.059 -0.024 0.000 1.244 382 L HN 0.633 nan 8.230 nan 0.000 0.447 383 T N -1.758 112.807 114.554 0.017 0.000 3.168 383 T HA 0.089 4.439 4.350 -0.000 0.000 0.261 383 T C 0.126 174.840 174.700 0.023 0.000 0.931 383 T CA 0.215 62.325 62.100 0.017 0.000 0.949 383 T CB 0.787 69.664 68.868 0.015 0.000 1.229 383 T HN 0.580 nan 8.240 nan 0.000 0.504 384 T N 2.946 117.519 114.554 0.033 0.000 2.881 384 T HA 0.672 5.022 4.350 -0.000 0.000 0.291 384 T C -0.803 173.929 174.700 0.053 0.000 0.990 384 T CA -0.650 61.473 62.100 0.039 0.000 0.976 384 T CB 1.975 70.866 68.868 0.039 0.000 0.970 384 T HN 0.235 nan 8.240 nan 0.000 0.438 385 V N 1.404 121.352 119.914 0.057 0.000 2.769 385 V HA 0.852 4.972 4.120 -0.000 0.000 0.312 385 V C -0.574 175.538 176.094 0.030 0.000 1.061 385 V CA -1.162 61.181 62.300 0.072 0.000 0.931 385 V CB 2.106 34.011 31.823 0.137 0.000 1.010 385 V HN 0.959 nan 8.190 nan 0.000 0.433 386 M N 3.142 122.729 119.600 -0.022 0.000 2.530 386 M HA 0.752 5.232 4.480 -0.000 0.000 0.307 386 M C -0.918 175.330 176.300 -0.086 0.000 1.161 386 M CA -0.304 54.981 55.300 -0.025 0.000 0.903 386 M CB 2.230 34.841 32.600 0.018 0.000 1.711 386 M HN 0.995 nan 8.290 nan 0.000 0.451 387 S N 3.261 118.924 115.700 -0.063 0.000 2.672 387 S HA 0.568 5.038 4.470 -0.000 0.000 0.291 387 S C -1.482 173.038 174.600 -0.133 0.000 1.145 387 S CA -0.801 57.340 58.200 -0.099 0.000 1.013 387 S CB 0.984 64.139 63.200 -0.076 0.000 1.017 387 S HN 0.845 nan 8.310 nan 0.000 0.487 388 N N 2.123 120.699 118.700 -0.207 0.000 2.487 388 N HA 0.581 5.321 4.740 -0.000 0.000 0.292 388 N C -1.250 173.888 175.510 -0.619 0.000 1.108 388 N CA -0.415 52.366 53.050 -0.448 0.000 0.956 388 N CB 1.811 39.962 38.487 -0.559 0.000 1.176 388 N HN 0.501 nan 8.380 nan 0.000 0.484 389 S N 1.293 116.453 115.700 -0.900 0.000 2.720 389 S HA 0.520 4.990 4.470 -0.000 0.000 0.278 389 S C -1.450 172.628 174.600 -0.870 0.000 1.172 389 S CA -0.604 57.138 58.200 -0.764 0.000 1.019 389 S CB 0.298 63.280 63.200 -0.364 0.000 1.049 389 S HN 0.287 nan 8.310 nan 0.000 0.483 390 F N 1.424 120.873 119.950 -0.835 0.000 2.507 390 F HA 0.774 5.301 4.527 -0.000 0.000 0.328 390 F C 0.733 176.333 175.800 -0.334 0.000 1.136 390 F CA -0.911 56.807 58.000 -0.469 0.000 0.930 390 F CB 1.685 40.484 39.000 -0.334 0.000 1.166 390 F HN 0.631 nan 8.300 nan 0.000 0.436 391 G N 1.665 110.538 108.800 0.122 0.000 2.644 391 G HA2 0.566 4.526 3.960 -0.000 0.000 0.307 391 G HA3 0.566 4.526 3.960 -0.000 0.000 0.307 391 G C -0.918 174.192 174.900 0.351 0.000 1.250 391 G CA -0.892 44.316 45.100 0.181 0.000 0.996 391 G HN 0.459 nan 8.290 nan 0.000 0.489 392 F N 0.030 120.073 119.950 0.155 0.000 2.595 392 F HA 0.272 4.799 4.527 -0.000 0.000 0.359 392 F C 1.666 177.529 175.800 0.104 0.000 1.147 392 F CA 1.289 59.372 58.000 0.138 0.000 1.341 392 F CB 0.883 39.976 39.000 0.155 0.000 1.104 392 F HN 0.833 nan 8.300 nan 0.000 0.603 393 G N 1.345 110.286 108.800 0.234 0.000 2.157 393 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.239 393 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.239 393 G C 0.672 175.638 174.900 0.110 0.000 0.982 393 G CA 0.011 45.194 45.100 0.138 0.000 0.650 393 G HN 1.725 nan 8.290 nan 0.000 0.527 394 G N -0.983 107.892 108.800 0.125 0.000 2.273 394 G HA2 0.062 4.022 3.960 -0.000 0.000 0.280 394 G HA3 0.062 4.022 3.960 -0.000 0.000 0.280 394 G C 0.401 175.359 174.900 0.097 0.000 1.047 394 G CA 1.431 46.582 45.100 0.085 0.000 0.869 394 G HN 1.990 nan 8.290 nan 0.000 0.502 395 T N 0.430 115.075 114.554 0.151 0.000 2.767 395 T HA 0.559 4.909 4.350 -0.000 0.000 0.288 395 T C 0.129 174.974 174.700 0.242 0.000 0.963 395 T CA -0.546 61.667 62.100 0.188 0.000 1.019 395 T CB 0.294 69.293 68.868 0.217 0.000 0.923 395 T HN 0.339 nan 8.240 nan 0.000 0.468 396 N N 2.873 121.727 118.700 0.256 0.000 2.272 396 N HA 0.733 5.473 4.740 -0.000 0.000 0.305 396 N C -1.290 174.350 175.510 0.216 0.000 1.103 396 N CA -0.691 52.547 53.050 0.314 0.000 0.791 396 N CB 2.143 40.797 38.487 0.278 0.000 1.356 396 N HN 0.752 nan 8.380 nan 0.000 0.486 397 A N 0.576 123.434 122.820 0.063 0.000 2.488 397 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 397 A C -0.973 176.583 177.584 -0.047 0.000 1.044 397 A CA -0.506 51.488 52.037 -0.071 0.000 0.693 397 A CB 1.356 20.067 19.000 -0.483 0.000 1.272 397 A HN 0.451 nan 8.150 nan 0.000 0.402 398 T N 2.427 117.013 114.554 0.053 0.000 2.921 398 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 398 T C -0.877 173.890 174.700 0.112 0.000 1.013 398 T CA -0.267 61.859 62.100 0.044 0.000 0.990 398 T CB 0.946 69.862 68.868 0.081 0.000 1.023 398 T HN 0.507 nan 8.240 nan 0.000 0.447 399 L N 2.764 124.019 121.223 0.054 0.000 2.362 399 L HA 0.760 5.100 4.340 -0.000 0.000 0.275 399 L C -0.825 176.070 176.870 0.042 0.000 0.998 399 L CA -1.153 53.725 54.840 0.064 0.000 0.820 399 L CB 2.053 44.109 42.059 -0.004 0.000 1.270 399 L HN 0.335 nan 8.230 nan 0.000 0.415 400 V N 4.070 124.019 119.914 0.058 0.000 2.409 400 V HA 0.501 4.621 4.120 -0.000 0.000 0.291 400 V C -0.111 176.003 176.094 0.034 0.000 1.020 400 V CA -0.323 62.006 62.300 0.048 0.000 0.848 400 V CB 1.713 33.575 31.823 0.064 0.000 0.990 400 V HN 0.718 nan 8.190 nan 0.000 0.430 401 M N 5.161 124.776 119.600 0.025 0.000 2.383 401 M HA 0.673 5.153 4.480 -0.000 0.000 0.325 401 M C -0.491 175.823 176.300 0.023 0.000 1.092 401 M CA -0.405 54.904 55.300 0.016 0.000 0.961 401 M CB 2.533 35.135 32.600 0.004 0.000 1.672 401 M HN 0.572 nan 8.290 nan 0.000 0.438 402 R N 1.432 121.942 120.500 0.017 0.000 2.725 402 R HA 0.467 4.807 4.340 -0.000 0.000 0.277 402 R C -1.142 175.162 176.300 0.008 0.000 0.987 402 R CA -0.816 55.294 56.100 0.016 0.000 0.901 402 R CB 2.006 32.315 30.300 0.016 0.000 1.207 402 R HN 0.650 nan 8.270 nan 0.000 0.463 403 K N 2.165 122.569 120.400 0.007 0.000 2.485 403 K HA -0.010 4.310 4.320 -0.000 0.000 0.277 403 K C -0.318 176.277 176.600 -0.009 0.000 0.990 403 K CA -0.057 56.228 56.287 -0.003 0.000 0.994 403 K CB 0.381 32.880 32.500 -0.002 0.000 0.906 403 K HN 0.256 nan 8.250 nan 0.000 0.488 404 L N 4.148 125.359 121.223 -0.021 0.000 2.290 404 L HA 0.073 4.413 4.340 -0.000 0.000 0.284 404 L C -0.209 176.650 176.870 -0.018 0.000 1.078 404 L CA -0.077 54.750 54.840 -0.021 0.000 0.815 404 L CB 0.633 42.672 42.059 -0.033 0.000 1.162 404 L HN 0.451 nan 8.230 nan 0.000 0.435 405 K N 3.783 124.176 120.400 -0.012 0.000 2.166 405 K HA 0.053 4.373 4.320 -0.000 0.000 0.258 405 K C -0.086 176.506 176.600 -0.012 0.000 1.207 405 K CA 0.398 56.679 56.287 -0.010 0.000 1.227 405 K CB -1.142 31.354 32.500 -0.007 0.000 0.872 405 K HN 0.842 nan 8.250 nan 0.000 0.426 406 D N 0.000 120.392 120.400 -0.013 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 406 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683