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 2byw_1_B 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 SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATAAM 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 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 K N 1.951 122.355 120.400 0.008 0.000 2.451 2 K HA 0.278 4.598 4.320 -0.000 0.000 0.280 2 K C 0.163 176.764 176.600 0.002 0.000 1.020 2 K CA 0.340 56.629 56.287 0.003 0.000 1.008 2 K CB 0.717 33.216 32.500 -0.002 0.000 0.917 2 K HN 0.485 nan 8.250 nan 0.000 0.478 3 R N 1.004 121.503 120.500 -0.000 0.000 2.410 3 R HA 0.381 4.721 4.340 -0.000 0.000 0.288 3 R C -0.294 175.998 176.300 -0.013 0.000 1.051 3 R CA -0.688 55.410 56.100 -0.003 0.000 1.021 3 R CB 0.995 31.294 30.300 -0.002 0.000 1.032 3 R HN 0.214 nan 8.270 nan 0.000 0.481 4 V N 3.573 123.477 119.914 -0.017 0.000 2.540 4 V HA 0.438 4.558 4.120 -0.000 0.000 0.302 4 V C -0.052 176.021 176.094 -0.036 0.000 1.035 4 V CA -0.776 61.503 62.300 -0.035 0.000 0.873 4 V CB 1.669 33.465 31.823 -0.045 0.000 0.992 4 V HN 0.625 nan 8.190 nan 0.000 0.428 5 V N 2.373 122.261 119.914 -0.044 0.000 3.126 5 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 5 V C -0.816 175.252 176.094 -0.044 0.000 1.138 5 V CA -0.960 61.317 62.300 -0.038 0.000 1.034 5 V CB 2.510 34.310 31.823 -0.038 0.000 1.075 5 V HN 0.558 nan 8.190 nan 0.000 0.442 6 I N 2.486 123.048 120.570 -0.014 0.000 2.339 6 I HA 0.446 4.616 4.170 -0.000 0.000 0.290 6 I C 1.047 177.226 176.117 0.103 0.000 0.994 6 I CA 0.163 61.468 61.300 0.008 0.000 1.191 6 I CB 1.241 39.242 38.000 0.000 0.000 1.343 6 I HN 1.047 nan 8.210 nan 0.000 0.458 7 T N 1.103 115.705 114.554 0.080 0.000 3.040 7 T HA 0.486 4.836 4.350 -0.000 0.000 0.266 7 T C 0.531 175.372 174.700 0.235 0.000 1.005 7 T CA -0.301 61.867 62.100 0.112 0.000 0.906 7 T CB 0.516 69.395 68.868 0.018 0.000 1.082 7 T HN 0.751 nan 8.240 nan 0.000 0.531 8 G N 1.374 110.317 108.800 0.238 0.000 2.667 8 G HA2 0.562 4.522 3.960 -0.000 0.000 0.294 8 G HA3 0.562 4.522 3.960 -0.000 0.000 0.294 8 G C -2.037 172.881 174.900 0.030 0.000 1.467 8 G CA -0.929 44.305 45.100 0.223 0.000 0.852 8 G HN 0.651 nan 8.290 nan 0.000 0.521 9 L N -1.144 120.070 121.223 -0.015 0.000 2.469 9 L HA 1.065 5.405 4.340 -0.000 0.000 0.256 9 L C -0.073 176.756 176.870 -0.068 0.000 1.006 9 L CA -0.894 53.872 54.840 -0.124 0.000 0.832 9 L CB 1.910 43.787 42.059 -0.303 0.000 1.421 9 L HN 1.260 nan 8.230 nan 0.000 0.410 10 G N 0.774 109.524 108.800 -0.084 0.000 2.719 10 G HA2 0.757 4.717 3.960 -0.000 0.000 0.298 10 G HA3 0.757 4.717 3.960 -0.000 0.000 0.298 10 G C -2.084 172.776 174.900 -0.067 0.000 1.411 10 G CA -0.610 44.454 45.100 -0.060 0.000 0.991 10 G HN 1.003 nan 8.290 nan 0.000 0.509 11 I N 0.768 121.313 120.570 -0.041 0.000 2.775 11 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 11 I C -1.512 174.590 176.117 -0.026 0.000 1.287 11 I CA -0.952 60.320 61.300 -0.046 0.000 1.029 11 I CB 2.383 40.353 38.000 -0.051 0.000 1.282 11 I HN 0.352 nan 8.210 nan 0.000 0.426 12 V N 6.302 126.185 119.914 -0.051 0.000 2.462 12 V HA 0.576 4.696 4.120 -0.000 0.000 0.288 12 V C -0.351 175.647 176.094 -0.160 0.000 1.020 12 V CA -0.215 62.035 62.300 -0.084 0.000 0.857 12 V CB 1.287 33.071 31.823 -0.065 0.000 1.013 12 V HN 0.824 nan 8.190 nan 0.000 0.431 13 S N 2.242 117.876 115.700 -0.110 0.000 2.697 13 S HA 0.465 4.935 4.470 -0.000 0.000 0.289 13 S C 1.114 175.652 174.600 -0.104 0.000 1.149 13 S CA 0.082 58.222 58.200 -0.101 0.000 0.850 13 S CB 1.780 65.012 63.200 0.054 0.000 1.151 13 S HN 0.909 nan 8.310 nan 0.000 0.491 14 S N 0.295 115.939 115.700 -0.093 0.000 2.469 14 S HA -0.077 4.393 4.470 -0.000 0.000 0.238 14 S C 1.393 175.963 174.600 -0.050 0.000 0.998 14 S CA 1.047 59.195 58.200 -0.086 0.000 0.957 14 S CB -1.150 62.010 63.200 -0.067 0.000 0.764 14 S HN 1.016 nan 8.310 nan 0.000 0.514 15 I N -2.712 117.836 120.570 -0.036 0.000 3.974 15 I HA 0.674 4.844 4.170 -0.000 0.000 0.334 15 I C 0.564 176.663 176.117 -0.029 0.000 1.437 15 I CA -0.422 60.852 61.300 -0.044 0.000 1.113 15 I CB 0.311 38.255 38.000 -0.092 0.000 1.063 15 I HN 0.280 nan 8.210 nan 0.000 0.400 16 G N 1.020 109.809 108.800 -0.018 0.000 2.402 16 G HA2 0.070 4.029 3.960 -0.000 0.000 0.301 16 G HA3 0.070 4.029 3.960 -0.000 0.000 0.301 16 G C -0.910 173.985 174.900 -0.009 0.000 1.615 16 G CA -0.630 44.465 45.100 -0.009 0.000 0.889 16 G HN -0.008 nan 8.290 nan 0.000 0.647 17 N N 0.092 118.788 118.700 -0.007 0.000 2.270 17 N HA 0.120 4.860 4.740 -0.000 0.000 0.198 17 N C 0.303 175.818 175.510 0.009 0.000 1.117 17 N CA 0.523 53.571 53.050 -0.003 0.000 0.845 17 N CB 0.384 38.873 38.487 0.004 0.000 0.980 17 N HN 0.822 nan 8.380 nan 0.000 0.486 18 N N -1.695 117.013 118.700 0.013 0.000 3.116 18 N HA -0.020 4.720 4.740 -0.000 0.000 0.244 18 N C 0.364 175.890 175.510 0.027 0.000 1.485 18 N CA -0.673 52.389 53.050 0.018 0.000 0.884 18 N CB 0.508 39.007 38.487 0.020 0.000 1.415 18 N HN -0.153 nan 8.380 nan 0.000 0.524 19 Q N -1.202 118.619 119.800 0.035 0.000 2.224 19 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 19 Q C 0.762 176.786 176.000 0.039 0.000 0.970 19 Q CA 1.438 57.274 55.803 0.054 0.000 0.865 19 Q CB -0.234 28.548 28.738 0.073 0.000 0.922 19 Q HN 0.622 nan 8.270 nan 0.000 0.445 20 Q N 1.258 121.069 119.800 0.019 0.000 2.046 20 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 20 Q C 1.774 177.755 176.000 -0.031 0.000 0.975 20 Q CA 1.915 57.708 55.803 -0.016 0.000 0.836 20 Q CB 0.059 28.789 28.738 -0.012 0.000 0.896 20 Q HN 0.571 nan 8.270 nan 0.000 0.428 21 E N -0.519 119.672 120.200 -0.014 0.000 2.077 21 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 21 E C 1.954 178.540 176.600 -0.023 0.000 0.989 21 E CA 1.298 57.685 56.400 -0.022 0.000 0.800 21 E CB -0.022 29.672 29.700 -0.011 0.000 0.746 21 E HN 0.115 nan 8.360 nan 0.000 0.452 22 V N 1.526 121.443 119.914 0.005 0.000 2.343 22 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 22 V C 2.300 178.395 176.094 0.001 0.000 1.051 22 V CA 1.355 63.667 62.300 0.021 0.000 1.036 22 V CB -0.382 31.512 31.823 0.118 0.000 0.654 22 V HN 0.229 nan 8.190 nan 0.000 0.451 23 L N 1.102 122.324 121.223 -0.002 0.000 2.012 23 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 23 L C 2.443 179.228 176.870 -0.140 0.000 1.073 23 L CA 2.526 57.339 54.840 -0.046 0.000 0.748 23 L CB -1.041 40.923 42.059 -0.158 0.000 0.891 23 L HN 0.219 nan 8.230 nan 0.000 0.431 24 A N -1.383 121.358 122.820 -0.131 0.000 1.877 24 A HA -0.196 4.123 4.320 -0.000 0.000 0.216 24 A C 2.385 179.894 177.584 -0.124 0.000 1.186 24 A CA 2.072 54.024 52.037 -0.143 0.000 0.620 24 A CB -1.063 17.876 19.000 -0.103 0.000 0.822 24 A HN 0.553 nan 8.150 nan 0.000 0.443 25 S N -0.076 115.569 115.700 -0.092 0.000 2.368 25 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 25 S C 1.845 176.389 174.600 -0.093 0.000 1.030 25 S CA 1.507 59.655 58.200 -0.087 0.000 0.999 25 S CB -0.501 62.648 63.200 -0.085 0.000 0.844 25 S HN 0.502 nan 8.310 nan 0.000 0.459 26 L N 0.798 121.972 121.223 -0.082 0.000 2.017 26 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 26 L C 2.724 179.595 176.870 0.003 0.000 1.073 26 L CA 1.356 56.191 54.840 -0.009 0.000 0.745 26 L CB -0.433 41.718 42.059 0.154 0.000 0.894 26 L HN 0.211 nan 8.230 nan 0.000 0.432 27 R N -0.051 120.332 120.500 -0.194 0.000 2.148 27 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 27 R C 1.781 177.983 176.300 -0.163 0.000 1.103 27 R CA 1.105 57.004 56.100 -0.335 0.000 0.983 27 R CB -0.051 29.916 30.300 -0.555 0.000 0.874 27 R HN 0.461 nan 8.270 nan 0.000 0.451 28 E N -0.852 119.274 120.200 -0.123 0.000 2.479 28 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 28 E C 0.572 177.139 176.600 -0.054 0.000 1.049 28 E CA 0.266 56.616 56.400 -0.083 0.000 0.870 28 E CB 0.752 30.404 29.700 -0.079 0.000 0.944 28 E HN 0.431 nan 8.360 nan 0.000 0.492 29 G N 2.967 111.740 108.800 -0.047 0.000 2.249 29 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.273 29 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.273 29 G C 0.117 174.994 174.900 -0.039 0.000 1.036 29 G CA 0.512 45.592 45.100 -0.033 0.000 0.824 29 G HN 0.242 nan 8.290 nan 0.000 0.504 30 R N 0.266 120.736 120.500 -0.049 0.000 2.389 30 R HA 0.463 4.802 4.340 -0.000 0.000 0.295 30 R C 0.680 176.955 176.300 -0.041 0.000 1.075 30 R CA 0.289 56.364 56.100 -0.041 0.000 1.005 30 R CB 0.513 30.787 30.300 -0.044 0.000 0.987 30 R HN 0.254 nan 8.270 nan 0.000 0.452 31 S N 2.009 117.695 115.700 -0.023 0.000 2.565 31 S HA 0.265 4.735 4.470 -0.000 0.000 0.274 31 S C 0.852 175.449 174.600 -0.004 0.000 1.309 31 S CA -0.221 57.971 58.200 -0.014 0.000 1.043 31 S CB 1.255 64.457 63.200 0.003 0.000 0.939 31 S HN 0.785 nan 8.310 nan 0.000 0.504 32 G N 3.953 112.751 108.800 -0.003 0.000 3.393 32 G HA2 0.237 4.197 3.960 -0.000 0.000 0.255 32 G HA3 0.237 4.197 3.960 -0.000 0.000 0.255 32 G C 0.111 175.038 174.900 0.045 0.000 1.097 32 G CA -0.253 44.850 45.100 0.006 0.000 0.780 32 G HN 0.614 nan 8.290 nan 0.000 0.540 33 I N 2.641 123.252 120.570 0.068 0.000 2.395 33 I HA 0.368 4.538 4.170 -0.000 0.000 0.289 33 I C 0.619 176.833 176.117 0.162 0.000 1.023 33 I CA -0.247 61.129 61.300 0.126 0.000 1.350 33 I CB 0.523 38.588 38.000 0.108 0.000 1.409 33 I HN 0.074 nan 8.210 nan 0.000 0.507 34 T N 2.720 117.426 114.554 0.254 0.000 2.887 34 T HA 0.542 4.892 4.350 -0.000 0.000 0.292 34 T C -0.532 174.319 174.700 0.251 0.000 1.087 34 T CA -0.734 61.522 62.100 0.261 0.000 1.009 34 T CB 1.849 70.889 68.868 0.287 0.000 1.203 34 T HN 0.214 nan 8.240 nan 0.000 0.518 35 F N 1.617 121.612 119.950 0.074 0.000 2.429 35 F HA 0.563 5.090 4.527 -0.000 0.000 0.348 35 F C 0.440 176.151 175.800 -0.149 0.000 1.109 35 F CA -0.152 57.836 58.000 -0.021 0.000 1.232 35 F CB 0.965 39.963 39.000 -0.003 0.000 1.157 35 F HN 0.680 nan 8.300 nan 0.000 0.564 36 S N 4.836 119.752 115.700 -1.306 0.000 2.566 36 S HA 0.196 4.666 4.470 -0.000 0.000 0.324 36 S C 0.507 174.300 174.600 -1.344 0.000 1.081 36 S CA -0.663 56.706 58.200 -1.385 0.000 1.105 36 S CB 1.326 63.173 63.200 -2.255 0.000 0.981 36 S HN 0.885 nan 8.310 nan 0.000 0.464 37 Q N 3.455 122.817 119.800 -0.729 0.000 2.167 37 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 37 Q C 1.782 177.554 176.000 -0.381 0.000 0.970 37 Q CA 2.196 57.776 55.803 -0.372 0.000 0.855 37 Q CB -0.150 28.574 28.738 -0.024 0.000 0.911 37 Q HN 0.916 nan 8.270 nan 0.000 0.438 38 E N -0.426 119.547 120.200 -0.377 0.000 2.058 38 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 38 E C 1.804 178.223 176.600 -0.301 0.000 0.997 38 E CA 1.370 57.628 56.400 -0.237 0.000 0.801 38 E CB -0.217 29.464 29.700 -0.031 0.000 0.746 38 E HN 0.457 nan 8.360 nan 0.000 0.450 39 L N 0.671 121.600 121.223 -0.490 0.000 2.046 39 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 39 L C 2.903 179.584 176.870 -0.315 0.000 1.077 39 L CA 1.573 56.230 54.840 -0.305 0.000 0.747 39 L CB -0.577 41.268 42.059 -0.357 0.000 0.896 39 L HN 0.186 nan 8.230 nan 0.000 0.432 40 K N 0.288 120.359 120.400 -0.547 0.000 2.026 40 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 40 K C 1.637 178.004 176.600 -0.389 0.000 1.048 40 K CA 1.796 57.659 56.287 -0.706 0.000 0.929 40 K CB -0.003 32.004 32.500 -0.823 0.000 0.713 40 K HN 0.227 nan 8.250 nan 0.000 0.439 41 D N 0.276 120.486 120.400 -0.317 0.000 2.263 41 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 41 D C 1.846 177.963 176.300 -0.306 0.000 0.971 41 D CA 1.364 55.212 54.000 -0.253 0.000 0.867 41 D CB -0.040 40.633 40.800 -0.211 0.000 0.929 41 D HN 0.358 nan 8.370 nan 0.000 0.492 42 S N -0.787 114.693 115.700 -0.367 0.000 2.515 42 S HA 0.138 4.607 4.470 -0.000 0.000 0.231 42 S C 1.752 176.176 174.600 -0.292 0.000 0.987 42 S CA 0.925 58.820 58.200 -0.509 0.000 0.936 42 S CB 0.220 63.116 63.200 -0.508 0.000 0.766 42 S HN 0.307 nan 8.310 nan 0.000 0.528 43 G N 0.519 109.213 108.800 -0.177 0.000 2.159 43 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 43 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 43 G C 0.015 174.917 174.900 0.004 0.000 0.986 43 G CA 0.071 45.122 45.100 -0.082 0.000 0.651 43 G HN 0.484 nan 8.290 nan 0.000 0.523 44 M N -0.449 119.169 119.600 0.030 0.000 2.198 44 M HA 0.411 4.891 4.480 -0.000 0.000 0.315 44 M C 1.839 178.255 176.300 0.194 0.000 1.134 44 M CA 0.066 55.430 55.300 0.107 0.000 1.171 44 M CB 0.536 33.208 32.600 0.119 0.000 1.413 44 M HN 0.147 nan 8.290 nan 0.000 0.467 45 R N -0.367 120.188 120.500 0.091 0.000 2.189 45 R HA 0.106 4.446 4.340 -0.000 0.000 0.203 45 R C 0.441 176.593 176.300 -0.247 0.000 1.012 45 R CA 0.206 56.285 56.100 -0.036 0.000 1.015 45 R CB 0.291 30.568 30.300 -0.039 0.000 0.938 45 R HN 0.569 nan 8.270 nan 0.000 0.472 46 S N 0.438 116.095 115.700 -0.072 0.000 2.452 46 S HA 0.129 4.599 4.470 -0.000 0.000 0.284 46 S C -0.125 174.498 174.600 0.038 0.000 1.171 46 S CA -0.544 57.602 58.200 -0.090 0.000 1.064 46 S CB 0.312 63.488 63.200 -0.040 0.000 0.967 46 S HN 0.339 nan 8.310 nan 0.000 0.484 47 H N 2.949 121.950 119.070 -0.117 0.000 2.475 47 H HA 0.344 4.900 4.556 -0.000 0.000 0.276 47 H C -0.078 175.007 175.328 -0.405 0.000 1.126 47 H CA -0.624 55.238 56.048 -0.311 0.000 1.023 47 H CB 0.522 30.168 29.762 -0.193 0.000 1.669 47 H HN 0.455 nan 8.280 nan 0.000 0.573 48 V N -1.782 118.065 119.914 -0.112 0.000 2.962 48 V HA 0.645 4.765 4.120 -0.000 0.000 0.313 48 V C -1.385 174.762 176.094 0.089 0.000 1.099 48 V CA -0.942 61.329 62.300 -0.048 0.000 0.971 48 V CB 2.205 34.081 31.823 0.088 0.000 1.028 48 V HN 0.392 nan 8.190 nan 0.000 0.430 49 W N 1.076 122.383 121.300 0.011 0.000 3.066 49 W HA 0.823 5.483 4.660 -0.000 0.000 0.330 49 W C -0.324 176.207 176.519 0.020 0.000 1.253 49 W CA -1.721 55.635 57.345 0.017 0.000 1.187 49 W CB 0.833 30.300 29.460 0.012 0.000 1.434 49 W HN 1.042 nan 8.180 nan 0.000 0.572 50 G N 3.429 112.336 108.800 0.178 0.000 2.922 50 G HA2 0.330 4.290 3.960 -0.000 0.000 0.335 50 G HA3 0.330 4.290 3.960 -0.000 0.000 0.335 50 G C -0.350 174.421 174.900 -0.214 0.000 1.016 50 G CA -0.644 44.464 45.100 0.013 0.000 1.306 50 G HN 0.586 nan 8.290 nan 0.000 0.465 51 N N 1.061 119.552 118.700 -0.348 0.000 2.515 51 N HA 0.199 4.939 4.740 -0.000 0.000 0.279 51 N C -0.300 175.024 175.510 -0.309 0.000 1.164 51 N CA -0.585 52.130 53.050 -0.559 0.000 0.982 51 N CB 1.959 40.001 38.487 -0.742 0.000 1.170 51 N HN -0.030 nan 8.380 nan 0.000 0.474 52 V N 1.812 121.524 119.914 -0.336 0.000 2.470 52 V HA 0.045 4.165 4.120 -0.000 0.000 0.276 52 V C 0.643 176.659 176.094 -0.130 0.000 1.040 52 V CA -0.407 61.733 62.300 -0.267 0.000 1.008 52 V CB 0.246 31.811 31.823 -0.431 0.000 0.990 52 V HN 0.558 nan 8.190 nan 0.000 0.477 53 K N 6.066 126.419 120.400 -0.079 0.000 2.307 53 K HA 0.472 4.792 4.320 -0.000 0.000 0.240 53 K C -0.825 175.773 176.600 -0.004 0.000 1.214 53 K CA -0.244 56.029 56.287 -0.024 0.000 1.149 53 K CB 0.199 32.693 32.500 -0.009 0.000 1.668 53 K HN 0.456 nan 8.250 nan 0.000 0.314 54 L N 0.141 121.372 121.223 0.013 0.000 2.591 54 L HA 0.320 4.660 4.340 -0.000 0.000 0.257 54 L C -1.815 175.087 176.870 0.053 0.000 0.935 54 L CA -0.403 54.458 54.840 0.034 0.000 0.873 54 L CB 2.271 44.354 42.059 0.040 0.000 1.397 54 L HN 0.182 nan 8.230 nan 0.000 0.414 55 D N 2.045 122.471 120.400 0.043 0.000 2.396 55 D HA 0.243 4.882 4.640 -0.000 0.000 0.225 55 D C 0.772 177.094 176.300 0.037 0.000 1.121 55 D CA 0.380 54.403 54.000 0.038 0.000 0.853 55 D CB 1.586 42.402 40.800 0.028 0.000 1.043 55 D HN 0.760 nan 8.370 nan 0.000 0.500 56 T N -0.078 114.499 114.554 0.038 0.000 3.148 56 T HA -0.003 4.347 4.350 -0.000 0.000 0.253 56 T C 0.861 175.555 174.700 -0.010 0.000 1.134 56 T CA -0.106 62.009 62.100 0.025 0.000 1.051 56 T CB -0.313 68.566 68.868 0.018 0.000 0.959 56 T HN 0.206 nan 8.240 nan 0.000 0.525 57 T N 2.434 116.980 114.554 -0.012 0.000 2.871 57 T HA 0.406 4.756 4.350 -0.000 0.000 0.296 57 T C 1.546 176.230 174.700 -0.026 0.000 0.998 57 T CA 0.801 62.885 62.100 -0.028 0.000 1.162 57 T CB 0.074 68.931 68.868 -0.019 0.000 0.947 57 T HN 0.729 nan 8.240 nan 0.000 0.536 58 G N 2.646 111.419 108.800 -0.044 0.000 2.205 58 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.261 58 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.261 58 G C 0.857 175.740 174.900 -0.028 0.000 0.980 58 G CA 0.291 45.369 45.100 -0.038 0.000 0.632 58 G HN 0.682 nan 8.290 nan 0.000 0.533 59 L N -0.173 121.036 121.223 -0.022 0.000 2.395 59 L HA 0.369 4.708 4.340 -0.000 0.000 0.218 59 L C 1.185 178.052 176.870 -0.005 0.000 1.130 59 L CA 0.697 55.542 54.840 0.009 0.000 0.826 59 L CB -0.044 42.038 42.059 0.038 0.000 0.941 59 L HN 0.291 nan 8.230 nan 0.000 0.451 60 I N -0.928 119.585 120.570 -0.095 0.000 2.545 60 I HA 0.160 4.329 4.170 -0.000 0.000 0.292 60 I C -0.405 175.598 176.117 -0.191 0.000 1.040 60 I CA -0.968 60.205 61.300 -0.211 0.000 1.068 60 I CB 2.228 39.943 38.000 -0.476 0.000 1.251 60 I HN -0.173 nan 8.210 nan 0.000 0.424 61 D N 3.993 124.290 120.400 -0.171 0.000 2.571 61 D HA -0.095 4.545 4.640 -0.000 0.000 0.231 61 D C 1.392 177.599 176.300 -0.156 0.000 1.133 61 D CA 0.375 54.298 54.000 -0.127 0.000 0.862 61 D CB 0.995 41.734 40.800 -0.101 0.000 1.179 61 D HN 0.360 nan 8.370 nan 0.000 0.474 62 R N 2.943 123.369 120.500 -0.124 0.000 2.096 62 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 62 R C 1.272 177.473 176.300 -0.166 0.000 1.139 62 R CA 1.582 57.595 56.100 -0.145 0.000 0.952 62 R CB -0.185 30.049 30.300 -0.110 0.000 0.854 62 R HN 0.389 nan 8.270 nan 0.000 0.436 63 K N -0.465 119.872 120.400 -0.105 0.000 2.362 63 K HA -0.009 4.311 4.320 -0.000 0.000 0.200 63 K C 1.785 178.396 176.600 0.019 0.000 1.046 63 K CA 0.512 56.768 56.287 -0.051 0.000 0.952 63 K CB 0.071 32.576 32.500 0.008 0.000 0.753 63 K HN 0.040 nan 8.250 nan 0.000 0.466 64 V N -1.195 118.678 119.914 -0.069 0.000 2.581 64 V HA -0.017 4.103 4.120 -0.000 0.000 0.240 64 V C 1.812 177.825 176.094 -0.135 0.000 1.054 64 V CA 0.730 62.987 62.300 -0.073 0.000 1.076 64 V CB 0.021 31.709 31.823 -0.225 0.000 0.748 64 V HN 0.022 nan 8.190 nan 0.000 0.474 65 V N 2.472 122.225 119.914 -0.268 0.000 2.913 65 V HA -0.191 3.929 4.120 -0.000 0.000 0.260 65 V C 2.743 178.637 176.094 -0.333 0.000 1.098 65 V CA 2.057 64.174 62.300 -0.305 0.000 1.121 65 V CB -0.680 30.962 31.823 -0.301 0.000 0.714 65 V HN 0.706 nan 8.190 nan 0.000 0.487 66 R N -0.991 119.244 120.500 -0.441 0.000 2.193 66 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 66 R C 1.759 177.500 176.300 -0.932 0.000 1.110 66 R CA 2.036 57.649 56.100 -0.812 0.000 0.988 66 R CB -0.678 28.897 30.300 -1.208 0.000 0.871 66 R HN 0.507 nan 8.270 nan 0.000 0.458 67 F N 0.923 120.618 119.950 -0.424 0.000 2.776 67 F HA 0.340 4.867 4.527 -0.000 0.000 0.300 67 F C 0.813 176.458 175.800 -0.258 0.000 1.116 67 F CA -0.226 57.627 58.000 -0.245 0.000 1.375 67 F CB 0.185 39.114 39.000 -0.118 0.000 1.109 67 F HN -0.121 nan 8.300 nan 0.000 0.585 68 M N -0.041 119.457 119.600 -0.170 0.000 2.423 68 M HA 0.335 4.815 4.480 -0.000 0.000 0.335 68 M C 0.408 176.524 176.300 -0.306 0.000 1.177 68 M CA -0.651 54.531 55.300 -0.197 0.000 1.038 68 M CB 1.601 34.092 32.600 -0.181 0.000 1.641 68 M HN -0.020 nan 8.290 nan 0.000 0.455 69 S N -0.211 115.354 115.700 -0.225 0.000 2.730 69 S HA 0.327 4.797 4.470 -0.000 0.000 0.284 69 S C 0.331 174.863 174.600 -0.114 0.000 1.153 69 S CA -0.788 57.339 58.200 -0.122 0.000 0.995 69 S CB 1.075 64.288 63.200 0.021 0.000 1.058 69 S HN 0.677 nan 8.310 nan 0.000 0.552 70 D N 1.121 121.460 120.400 -0.102 0.000 2.149 70 D HA -0.069 4.571 4.640 -0.000 0.000 0.198 70 D C 2.187 178.183 176.300 -0.505 0.000 0.990 70 D CA 1.827 55.572 54.000 -0.424 0.000 0.839 70 D CB -0.878 39.683 40.800 -0.398 0.000 0.948 70 D HN 0.686 nan 8.370 nan 0.000 0.460 71 A N 0.452 123.184 122.820 -0.147 0.000 1.908 71 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 71 A C 2.457 180.043 177.584 0.005 0.000 1.181 71 A CA 2.061 54.103 52.037 0.008 0.000 0.627 71 A CB -0.596 18.438 19.000 0.056 0.000 0.818 71 A HN 0.190 nan 8.150 nan 0.000 0.445 72 S N -0.376 115.307 115.700 -0.029 0.000 2.383 72 S HA -0.050 4.420 4.470 -0.000 0.000 0.227 72 S C 1.792 176.412 174.600 0.034 0.000 1.026 72 S CA 1.257 59.470 58.200 0.021 0.000 0.981 72 S CB -0.451 62.749 63.200 0.001 0.000 0.818 72 S HN 0.537 nan 8.310 nan 0.000 0.472 73 I N 0.445 120.949 120.570 -0.111 0.000 2.179 73 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 73 I C 2.049 178.204 176.117 0.064 0.000 1.088 73 I CA 1.363 62.599 61.300 -0.108 0.000 1.357 73 I CB -0.444 37.387 38.000 -0.281 0.000 1.051 73 I HN 0.259 nan 8.210 nan 0.000 0.409 74 Y N 0.826 121.161 120.300 0.058 0.000 2.181 74 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 74 Y C 2.658 178.594 175.900 0.060 0.000 1.146 74 Y CA 0.809 58.936 58.100 0.044 0.000 1.164 74 Y CB -1.345 37.117 38.460 0.002 0.000 0.982 74 Y HN 0.123 nan 8.280 nan 0.000 0.515 75 A N -0.455 122.499 122.820 0.224 0.000 1.898 75 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 75 A C 2.203 179.874 177.584 0.146 0.000 1.181 75 A CA 1.315 53.434 52.037 0.136 0.000 0.620 75 A CB -1.339 17.723 19.000 0.104 0.000 0.819 75 A HN 0.444 nan 8.150 nan 0.000 0.442 76 F N 0.660 120.660 119.950 0.083 0.000 2.102 76 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 76 F C 1.971 177.858 175.800 0.144 0.000 1.105 76 F CA 1.880 59.976 58.000 0.159 0.000 1.239 76 F CB -0.194 38.875 39.000 0.115 0.000 0.991 76 F HN 0.144 nan 8.300 nan 0.000 0.474 77 L N -0.688 120.759 121.223 0.372 0.000 2.046 77 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 77 L C 2.520 179.433 176.870 0.072 0.000 1.077 77 L CA 1.503 56.484 54.840 0.235 0.000 0.747 77 L CB -1.001 41.193 42.059 0.224 0.000 0.896 77 L HN 0.091 nan 8.230 nan 0.000 0.432 78 S N -0.378 115.351 115.700 0.049 0.000 2.382 78 S HA -0.230 4.240 4.470 -0.000 0.000 0.228 78 S C 1.927 176.456 174.600 -0.118 0.000 1.027 78 S CA 1.631 59.816 58.200 -0.025 0.000 0.991 78 S CB -0.247 62.939 63.200 -0.023 0.000 0.823 78 S HN 0.356 nan 8.310 nan 0.000 0.469 79 M N 1.427 120.899 119.600 -0.214 0.000 2.175 79 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 79 M C 1.941 177.939 176.300 -0.502 0.000 1.063 79 M CA 1.413 56.428 55.300 -0.474 0.000 1.119 79 M CB -0.155 31.937 32.600 -0.846 0.000 1.377 79 M HN 0.241 nan 8.290 nan 0.000 0.415 80 E N -0.159 119.850 120.200 -0.317 0.000 2.058 80 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 80 E C 2.047 178.579 176.600 -0.113 0.000 0.997 80 E CA 1.681 57.983 56.400 -0.163 0.000 0.801 80 E CB -0.210 29.479 29.700 -0.018 0.000 0.746 80 E HN 0.680 nan 8.360 nan 0.000 0.450 81 Q N 0.166 119.920 119.800 -0.077 0.000 2.050 81 Q HA -0.164 4.175 4.340 -0.000 0.000 0.202 81 Q C 2.250 178.223 176.000 -0.045 0.000 0.980 81 Q CA 1.429 57.210 55.803 -0.037 0.000 0.840 81 Q CB -0.199 28.527 28.738 -0.019 0.000 0.898 81 Q HN 0.237 nan 8.270 nan 0.000 0.424 82 A N 0.773 123.541 122.820 -0.086 0.000 1.902 82 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 82 A C 2.030 179.594 177.584 -0.033 0.000 1.181 82 A CA 1.132 53.139 52.037 -0.050 0.000 0.623 82 A CB -0.614 18.351 19.000 -0.058 0.000 0.818 82 A HN 0.308 nan 8.150 nan 0.000 0.443 83 I N -0.349 120.137 120.570 -0.139 0.000 2.179 83 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 83 I C 2.992 179.087 176.117 -0.037 0.000 1.088 83 I CA 1.106 62.317 61.300 -0.148 0.000 1.357 83 I CB -0.328 37.438 38.000 -0.390 0.000 1.051 83 I HN 0.364 nan 8.210 nan 0.000 0.409 84 A N 0.223 123.029 122.820 -0.023 0.000 1.902 84 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 84 A C 1.999 179.606 177.584 0.039 0.000 1.181 84 A CA 2.304 54.352 52.037 0.020 0.000 0.623 84 A CB -0.714 18.298 19.000 0.020 0.000 0.818 84 A HN 0.443 nan 8.150 nan 0.000 0.443 85 D N -0.200 120.230 120.400 0.049 0.000 2.144 85 D HA -0.007 4.633 4.640 -0.000 0.000 0.199 85 D C 1.842 178.210 176.300 0.114 0.000 0.984 85 D CA 1.451 55.508 54.000 0.094 0.000 0.834 85 D CB -0.176 40.705 40.800 0.134 0.000 0.955 85 D HN 0.336 nan 8.370 nan 0.000 0.465 86 A N -0.710 122.167 122.820 0.094 0.000 2.167 86 A HA 0.376 4.696 4.320 -0.000 0.000 0.214 86 A C 1.772 179.399 177.584 0.072 0.000 1.151 86 A CA 1.030 53.121 52.037 0.089 0.000 0.735 86 A CB -0.609 18.426 19.000 0.058 0.000 0.802 86 A HN 0.456 nan 8.150 nan 0.000 0.467 87 G N -0.784 108.055 108.800 0.065 0.000 2.246 87 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.273 87 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.273 87 G C -0.102 174.849 174.900 0.084 0.000 1.055 87 G CA 0.363 45.500 45.100 0.063 0.000 0.851 87 G HN 0.469 nan 8.290 nan 0.000 0.500 88 L N 1.696 122.982 121.223 0.105 0.000 2.257 88 L HA 0.508 4.848 4.340 -0.000 0.000 0.290 88 L C 1.231 178.257 176.870 0.260 0.000 1.044 88 L CA -0.253 54.696 54.840 0.182 0.000 0.810 88 L CB 1.421 43.596 42.059 0.194 0.000 1.193 88 L HN 0.433 nan 8.230 nan 0.000 0.425 89 S N 2.760 118.595 115.700 0.225 0.000 2.632 89 S HA 0.375 4.845 4.470 -0.000 0.000 0.267 89 S C -1.942 172.773 174.600 0.192 0.000 1.276 89 S CA -1.188 57.123 58.200 0.184 0.000 0.998 89 S CB 1.338 64.593 63.200 0.092 0.000 0.953 89 S HN 0.343 nan 8.310 nan 0.000 0.547 90 P HA -0.168 nan 4.420 nan 0.000 0.215 90 P C 1.333 178.442 177.300 -0.318 0.000 1.157 90 P CA 1.367 64.314 63.100 -0.256 0.000 0.874 90 P CB -0.090 31.537 31.700 -0.122 0.000 0.790 91 E N -0.450 119.672 120.200 -0.129 0.000 2.515 91 E HA -0.050 4.300 4.350 -0.000 0.000 0.201 91 E C 1.467 178.035 176.600 -0.055 0.000 1.071 91 E CA 1.090 57.431 56.400 -0.099 0.000 0.880 91 E CB -0.831 28.841 29.700 -0.048 0.000 0.828 91 E HN 0.224 nan 8.360 nan 0.000 0.540 92 A N 0.556 123.370 122.820 -0.009 0.000 2.014 92 A HA 0.067 4.387 4.320 -0.000 0.000 0.210 92 A C 1.624 179.300 177.584 0.154 0.000 1.188 92 A CA 0.626 52.719 52.037 0.094 0.000 0.731 92 A CB -0.288 18.809 19.000 0.162 0.000 0.858 92 A HN 0.395 nan 8.150 nan 0.000 0.464 93 Y N -1.624 118.724 120.300 0.080 0.000 2.423 93 Y HA 0.455 5.005 4.550 -0.000 0.000 0.257 93 Y C 0.603 176.542 175.900 0.065 0.000 1.087 93 Y CA -0.626 57.539 58.100 0.108 0.000 1.258 93 Y CB -0.128 38.473 38.460 0.236 0.000 1.237 93 Y HN 0.141 nan 8.280 nan 0.000 0.517 94 Q N 2.094 121.521 119.800 -0.621 0.000 2.299 94 Q HA 0.186 4.526 4.340 -0.000 0.000 0.246 94 Q C -0.201 175.593 176.000 -0.343 0.000 0.935 94 Q CA -0.354 55.166 55.803 -0.473 0.000 0.887 94 Q CB 0.420 28.827 28.738 -0.552 0.000 1.223 94 Q HN 0.353 nan 8.270 nan 0.000 0.439 95 N N 1.784 120.170 118.700 -0.523 0.000 2.716 95 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 95 N C -1.133 174.154 175.510 -0.370 0.000 1.033 95 N CA 0.751 53.260 53.050 -0.901 0.000 0.727 95 N CB -1.074 37.139 38.487 -0.456 0.000 0.950 95 N HN 0.559 nan 8.380 nan 0.000 0.541 96 N N 0.128 118.718 118.700 -0.183 0.000 2.483 96 N HA 0.310 5.050 4.740 -0.000 0.000 0.267 96 N C -1.988 173.583 175.510 0.102 0.000 0.998 96 N CA -1.854 51.201 53.050 0.008 0.000 0.918 96 N CB 1.597 40.095 38.487 0.019 0.000 1.215 96 N HN -0.171 nan 8.380 nan 0.000 0.500 97 P HA -0.007 nan 4.420 nan 0.000 0.223 97 P C 0.706 178.045 177.300 0.065 0.000 1.144 97 P CA 0.871 64.044 63.100 0.121 0.000 0.783 97 P CB 0.393 32.148 31.700 0.092 0.000 0.771 98 R N -1.075 119.448 120.500 0.040 0.000 2.317 98 R HA 0.186 4.526 4.340 -0.000 0.000 0.208 98 R C -0.047 176.229 176.300 -0.040 0.000 0.914 98 R CA 0.118 56.214 56.100 -0.007 0.000 1.060 98 R CB -0.064 30.224 30.300 -0.020 0.000 1.015 98 R HN 0.141 nan 8.270 nan 0.000 0.498 99 V N 0.341 120.261 119.914 0.011 0.000 2.409 99 V HA 0.614 4.734 4.120 -0.000 0.000 0.291 99 V C 0.505 176.636 176.094 0.062 0.000 1.020 99 V CA -0.788 61.520 62.300 0.014 0.000 0.848 99 V CB 1.690 33.583 31.823 0.117 0.000 0.990 99 V HN 0.265 nan 8.190 nan 0.000 0.430 100 G N 3.229 112.030 108.800 0.002 0.000 3.108 100 G HA2 0.848 4.808 3.960 -0.000 0.000 0.268 100 G HA3 0.848 4.808 3.960 -0.000 0.000 0.268 100 G C -1.614 173.319 174.900 0.056 0.000 1.361 100 G CA -0.784 44.324 45.100 0.013 0.000 1.047 100 G HN 0.710 nan 8.290 nan 0.000 0.540 101 L N -0.280 120.929 121.223 -0.023 0.000 2.562 101 L HA 0.659 4.999 4.340 -0.000 0.000 0.266 101 L C -1.604 175.168 176.870 -0.163 0.000 0.949 101 L CA -0.673 54.160 54.840 -0.012 0.000 0.879 101 L CB 1.681 43.766 42.059 0.042 0.000 1.278 101 L HN 0.433 nan 8.230 nan 0.000 0.404 102 I N 5.253 125.729 120.570 -0.156 0.000 2.476 102 I HA 0.763 4.932 4.170 -0.000 0.000 0.281 102 I C -0.480 175.595 176.117 -0.070 0.000 1.040 102 I CA -0.328 60.852 61.300 -0.199 0.000 1.094 102 I CB 1.780 39.643 38.000 -0.228 0.000 1.219 102 I HN 0.681 nan 8.210 nan 0.000 0.450 103 A N 4.315 127.121 122.820 -0.024 0.000 2.547 103 A HA 0.953 5.273 4.320 -0.000 0.000 0.297 103 A C -0.665 176.943 177.584 0.040 0.000 1.056 103 A CA -0.393 51.647 52.037 0.005 0.000 0.688 103 A CB 1.865 20.864 19.000 -0.002 0.000 1.282 103 A HN 0.765 nan 8.150 nan 0.000 0.400 104 G N -0.231 108.596 108.800 0.045 0.000 2.870 104 G HA2 0.850 4.810 3.960 -0.000 0.000 0.299 104 G HA3 0.850 4.810 3.960 -0.000 0.000 0.299 104 G C -0.517 174.414 174.900 0.053 0.000 1.324 104 G CA 0.188 45.325 45.100 0.062 0.000 0.808 104 G HN 1.917 nan 8.290 nan 0.000 0.535 105 S N -2.124 113.612 115.700 0.061 0.000 2.627 105 S HA 0.666 5.136 4.470 -0.000 0.000 0.283 105 S C 0.978 175.616 174.600 0.064 0.000 1.127 105 S CA 0.266 58.499 58.200 0.055 0.000 0.863 105 S CB 1.492 64.731 63.200 0.064 0.000 1.121 105 S HN 1.493 nan 8.310 nan 0.000 0.479 106 G N -0.141 108.695 108.800 0.059 0.000 2.408 106 G HA2 0.343 4.303 3.960 -0.000 0.000 0.215 106 G HA3 0.343 4.303 3.960 -0.000 0.000 0.215 106 G C 0.818 175.785 174.900 0.111 0.000 1.156 106 G CA 0.366 45.515 45.100 0.082 0.000 0.793 106 G HN 1.310 nan 8.290 nan 0.000 0.535 107 G N -1.115 107.752 108.800 0.111 0.000 4.110 107 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 107 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 107 G C 0.993 175.949 174.900 0.094 0.000 1.020 107 G CA 0.733 45.901 45.100 0.114 0.000 0.808 107 G HN 1.018 nan 8.290 nan 0.000 0.474 108 G N 0.661 109.513 108.800 0.087 0.000 2.646 108 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.324 108 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.324 108 G C 0.507 175.462 174.900 0.092 0.000 1.195 108 G CA 0.861 46.011 45.100 0.083 0.000 0.976 108 G HN 1.547 nan 8.290 nan 0.000 0.546 109 S N 1.387 117.151 115.700 0.106 0.000 2.383 109 S HA 0.641 5.111 4.470 -0.000 0.000 0.196 109 S C -1.365 173.301 174.600 0.110 0.000 1.364 109 S CA 0.012 58.293 58.200 0.135 0.000 1.212 109 S CB 1.778 65.119 63.200 0.236 0.000 1.171 109 S HN 0.259 nan 8.310 nan 0.000 0.456 110 P HA -0.096 nan 4.420 nan 0.000 0.216 110 P C 1.518 178.779 177.300 -0.064 0.000 1.150 110 P CA 0.669 63.764 63.100 -0.008 0.000 0.837 110 P CB 0.130 31.806 31.700 -0.040 0.000 0.786 111 R N -0.842 119.593 120.500 -0.108 0.000 2.083 111 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 111 R C 1.873 178.048 176.300 -0.207 0.000 1.137 111 R CA 1.718 57.675 56.100 -0.239 0.000 0.951 111 R CB -0.936 29.164 30.300 -0.332 0.000 0.851 111 R HN 0.110 nan 8.270 nan 0.000 0.434 112 F N 0.748 120.719 119.950 0.035 0.000 2.456 112 F HA 0.019 4.546 4.527 -0.000 0.000 0.298 112 F C 2.467 178.364 175.800 0.163 0.000 1.104 112 F CA 0.832 58.905 58.000 0.122 0.000 1.435 112 F CB 0.053 39.090 39.000 0.062 0.000 1.078 112 F HN 0.125 nan 8.300 nan 0.000 0.546 113 Q N -0.248 119.684 119.800 0.220 0.000 2.079 113 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 113 Q C 2.393 178.454 176.000 0.101 0.000 0.974 113 Q CA 1.615 57.505 55.803 0.145 0.000 0.840 113 Q CB -0.359 28.431 28.738 0.088 0.000 0.898 113 Q HN 0.269 nan 8.270 nan 0.000 0.430 114 V N 0.688 120.636 119.914 0.057 0.000 2.427 114 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 114 V C 1.919 178.051 176.094 0.062 0.000 1.051 114 V CA 1.609 63.926 62.300 0.028 0.000 1.048 114 V CB -0.624 31.172 31.823 -0.045 0.000 0.666 114 V HN 0.325 nan 8.190 nan 0.000 0.456 115 F N 2.288 122.216 119.950 -0.037 0.000 2.095 115 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 115 F C 2.188 178.016 175.800 0.046 0.000 1.104 115 F CA 1.829 59.820 58.000 -0.015 0.000 1.232 115 F CB -0.975 37.986 39.000 -0.066 0.000 0.987 115 F HN 0.133 nan 8.300 nan 0.000 0.475 116 G N -0.191 108.601 108.800 -0.014 0.000 2.446 116 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 116 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 116 G C 1.820 176.627 174.900 -0.156 0.000 1.168 116 G CA 1.037 46.069 45.100 -0.114 0.000 0.771 116 G HN 0.667 nan 8.290 nan 0.000 0.551 117 A N 0.833 123.609 122.820 -0.072 0.000 1.898 117 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 117 A C 2.113 179.645 177.584 -0.086 0.000 1.181 117 A CA 2.124 54.128 52.037 -0.055 0.000 0.620 117 A CB -0.377 18.616 19.000 -0.012 0.000 0.819 117 A HN 0.285 nan 8.150 nan 0.000 0.442 118 D N 0.103 120.436 120.400 -0.112 0.000 2.097 118 D HA -0.024 4.615 4.640 -0.000 0.000 0.197 118 D C 2.282 178.479 176.300 -0.172 0.000 0.984 118 D CA 1.613 55.550 54.000 -0.104 0.000 0.826 118 D CB -0.495 40.267 40.800 -0.063 0.000 0.973 118 D HN 0.392 nan 8.370 nan 0.000 0.460 119 A N 0.627 123.238 122.820 -0.348 0.000 1.902 119 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 119 A C 2.142 179.613 177.584 -0.187 0.000 1.181 119 A CA 1.828 53.659 52.037 -0.343 0.000 0.623 119 A CB -0.587 18.030 19.000 -0.638 0.000 0.818 119 A HN 0.166 nan 8.150 nan 0.000 0.443 120 M N -0.037 119.463 119.600 -0.166 0.000 2.149 120 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 120 M C 1.819 178.081 176.300 -0.064 0.000 1.064 120 M CA 1.547 56.791 55.300 -0.093 0.000 1.102 120 M CB -0.451 32.107 32.600 -0.071 0.000 1.369 120 M HN 0.372 nan 8.290 nan 0.000 0.408 121 R N -0.199 120.264 120.500 -0.062 0.000 2.313 121 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 121 R C 1.064 177.344 176.300 -0.034 0.000 0.958 121 R CA 0.288 56.365 56.100 -0.038 0.000 1.047 121 R CB -0.370 29.913 30.300 -0.028 0.000 0.955 121 R HN 0.466 nan 8.270 nan 0.000 0.481 122 G N 1.154 109.926 108.800 -0.046 0.000 2.543 122 G HA2 0.130 4.089 3.960 -0.000 0.000 0.290 122 G HA3 0.130 4.089 3.960 -0.000 0.000 0.290 122 G C -1.481 173.404 174.900 -0.025 0.000 1.310 122 G CA -0.951 44.129 45.100 -0.033 0.000 1.025 122 G HN -0.063 nan 8.290 nan 0.000 0.502 123 P HA -0.008 nan 4.420 nan 0.000 0.230 123 P C 1.107 178.401 177.300 -0.011 0.000 1.158 123 P CA 0.613 63.706 63.100 -0.010 0.000 0.769 123 P CB 0.411 32.108 31.700 -0.004 0.000 0.807 124 R N -0.908 119.583 120.500 -0.015 0.000 2.237 124 R HA 0.190 4.530 4.340 -0.000 0.000 0.195 124 R C 1.641 177.929 176.300 -0.021 0.000 0.956 124 R CA 0.765 56.858 56.100 -0.013 0.000 1.029 124 R CB -0.306 29.991 30.300 -0.006 0.000 0.972 124 R HN 0.202 nan 8.270 nan 0.000 0.493 125 G N 1.937 110.718 108.800 -0.032 0.000 2.611 125 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.301 125 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.301 125 G C 0.873 175.749 174.900 -0.041 0.000 1.233 125 G CA 0.401 45.479 45.100 -0.037 0.000 0.993 125 G HN 0.224 nan 8.290 nan 0.000 0.553 126 L N 0.517 121.722 121.223 -0.030 0.000 2.129 126 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 126 L C 3.005 179.863 176.870 -0.020 0.000 1.087 126 L CA 2.273 57.097 54.840 -0.026 0.000 0.757 126 L CB -0.494 41.553 42.059 -0.020 0.000 0.896 126 L HN 0.555 nan 8.230 nan 0.000 0.434 127 K N -0.104 120.287 120.400 -0.015 0.000 2.147 127 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 127 K C 2.187 178.795 176.600 0.013 0.000 1.049 127 K CA 1.271 57.556 56.287 -0.004 0.000 0.936 127 K CB -0.182 32.318 32.500 -0.001 0.000 0.722 127 K HN 0.313 nan 8.250 nan 0.000 0.446 128 A N 0.843 123.663 122.820 -0.002 0.000 1.970 128 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 128 A C 2.288 179.882 177.584 0.016 0.000 1.170 128 A CA 0.741 52.784 52.037 0.010 0.000 0.645 128 A CB -0.285 18.687 19.000 -0.046 0.000 0.816 128 A HN 0.034 nan 8.150 nan 0.000 0.447 129 V N -0.376 119.518 119.914 -0.034 0.000 2.295 129 V HA 0.166 4.286 4.120 -0.000 0.000 0.246 129 V C 1.620 177.812 176.094 0.165 0.000 1.049 129 V CA 1.208 63.507 62.300 -0.001 0.000 1.024 129 V CB -1.903 29.905 31.823 -0.024 0.000 0.648 129 V HN 1.229 nan 8.190 nan 0.000 0.447 130 G N 0.504 109.348 108.800 0.073 0.000 2.781 130 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.683 130 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.683 130 G C -1.751 173.100 174.900 -0.083 0.000 1.390 130 G CA -0.090 45.022 45.100 0.020 0.000 0.850 130 G HN 0.322 nan 8.290 nan 0.000 0.557 131 P HA 0.243 nan 4.420 nan 0.000 0.258 131 P C 0.071 177.097 177.300 -0.456 0.000 1.416 131 P CA 0.544 63.411 63.100 -0.388 0.000 0.927 131 P CB -0.002 31.412 31.700 -0.478 0.000 1.444 132 Y N -1.610 118.660 120.300 -0.050 0.000 2.481 132 Y HA 0.112 4.662 4.550 -0.000 0.000 0.247 132 Y C 2.225 178.079 175.900 -0.078 0.000 1.151 132 Y CA -0.172 57.856 58.100 -0.119 0.000 1.238 132 Y CB -0.338 37.937 38.460 -0.309 0.000 1.179 132 Y HN -0.274 nan 8.280 nan 0.000 0.524 133 V N -1.159 118.827 119.914 0.120 0.000 2.427 133 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 133 V C 2.116 178.268 176.094 0.098 0.000 1.051 133 V CA 1.551 63.931 62.300 0.133 0.000 1.048 133 V CB -0.767 31.198 31.823 0.236 0.000 0.666 133 V HN 0.217 nan 8.190 nan 0.000 0.456 134 V N 1.289 121.260 119.914 0.095 0.000 2.255 134 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 134 V C 2.830 178.973 176.094 0.082 0.000 1.051 134 V CA 2.750 65.101 62.300 0.085 0.000 1.018 134 V CB -1.390 30.479 31.823 0.077 0.000 0.641 134 V HN 0.814 nan 8.190 nan 0.000 0.445 135 T N -2.019 112.601 114.554 0.111 0.000 2.962 135 T HA -0.172 4.178 4.350 -0.000 0.000 0.270 135 T C 1.685 176.404 174.700 0.031 0.000 1.088 135 T CA 1.337 63.496 62.100 0.098 0.000 1.127 135 T CB -0.248 68.740 68.868 0.200 0.000 0.883 135 T HN 0.500 nan 8.240 nan 0.000 0.493 136 K N 0.952 121.330 120.400 -0.037 0.000 2.128 136 K HA 0.371 4.691 4.320 -0.000 0.000 0.202 136 K C 2.696 179.298 176.600 0.003 0.000 1.050 136 K CA 0.866 57.061 56.287 -0.153 0.000 0.966 136 K CB -0.136 32.016 32.500 -0.579 0.000 0.759 136 K HN 0.392 nan 8.250 nan 0.000 0.454 137 A N 2.023 124.885 122.820 0.071 0.000 2.030 137 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 137 A C 1.278 178.915 177.584 0.088 0.000 1.164 137 A CA 0.030 52.139 52.037 0.120 0.000 0.697 137 A CB -0.469 18.620 19.000 0.149 0.000 0.827 137 A HN 0.322 nan 8.150 nan 0.000 0.457 138 M N -1.616 118.027 119.600 0.071 0.000 2.252 138 M HA 0.429 4.909 4.480 -0.000 0.000 0.329 138 M C 0.970 177.309 176.300 0.064 0.000 1.101 138 M CA 0.460 55.798 55.300 0.064 0.000 1.117 138 M CB 0.372 33.006 32.600 0.057 0.000 1.563 138 M HN 0.064 nan 8.290 nan 0.000 0.445 139 A N 1.911 124.769 122.820 0.063 0.000 2.019 139 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 139 A C 2.038 179.663 177.584 0.069 0.000 1.164 139 A CA 1.810 53.888 52.037 0.067 0.000 0.644 139 A CB -0.891 18.148 19.000 0.064 0.000 0.805 139 A HN 1.007 nan 8.150 nan 0.000 0.449 140 S N -0.996 114.744 115.700 0.067 0.000 2.634 140 S HA 0.293 4.763 4.470 -0.000 0.000 0.221 140 S C 1.653 176.291 174.600 0.063 0.000 0.952 140 S CA 0.576 58.820 58.200 0.073 0.000 0.930 140 S CB -0.307 62.940 63.200 0.078 0.000 0.780 140 S HN 0.565 nan 8.310 nan 0.000 0.498 141 G N 2.272 111.106 108.800 0.056 0.000 2.513 141 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 141 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 141 G C 1.309 176.239 174.900 0.050 0.000 1.160 141 G CA 1.288 46.415 45.100 0.046 0.000 0.767 141 G HN 0.480 nan 8.290 nan 0.000 0.571 142 V N 1.745 121.693 119.914 0.057 0.000 2.332 142 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 142 V C 3.277 179.413 176.094 0.071 0.000 1.055 142 V CA 2.555 64.894 62.300 0.065 0.000 1.038 142 V CB -0.575 31.284 31.823 0.061 0.000 0.651 142 V HN 0.647 nan 8.190 nan 0.000 0.450 143 S N 0.705 116.443 115.700 0.063 0.000 2.377 143 S HA -0.035 4.435 4.470 -0.000 0.000 0.223 143 S C 2.130 176.767 174.600 0.063 0.000 1.030 143 S CA 1.061 59.295 58.200 0.056 0.000 0.970 143 S CB -0.470 62.760 63.200 0.050 0.000 0.830 143 S HN 0.543 nan 8.310 nan 0.000 0.473 144 A N 1.009 123.863 122.820 0.056 0.000 1.877 144 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 144 A C 2.383 179.984 177.584 0.028 0.000 1.186 144 A CA 1.572 53.630 52.037 0.035 0.000 0.620 144 A CB -1.512 17.500 19.000 0.021 0.000 0.822 144 A HN 0.699 nan 8.150 nan 0.000 0.443 145 C N -1.213 118.114 119.300 0.046 0.000 2.472 145 C HA 0.147 4.607 4.460 -0.000 0.000 0.278 145 C C 2.268 177.352 174.990 0.155 0.000 1.447 145 C CA 0.693 59.744 59.018 0.054 0.000 1.773 145 C CB -1.310 26.457 27.740 0.047 0.000 1.793 145 C HN 0.530 nan 8.230 nan 0.000 0.544 146 L N 0.330 121.672 121.223 0.200 0.000 2.445 146 L HA 0.268 4.608 4.340 -0.000 0.000 0.207 146 L C 2.630 179.690 176.870 0.318 0.000 1.053 146 L CA 1.538 56.590 54.840 0.353 0.000 0.841 146 L CB -1.155 41.061 42.059 0.262 0.000 1.074 146 L HN 0.141 nan 8.230 nan 0.000 0.479 147 A N -0.847 122.075 122.820 0.170 0.000 1.940 147 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 147 A C 2.290 179.956 177.584 0.135 0.000 1.176 147 A CA 2.446 54.570 52.037 0.145 0.000 0.631 147 A CB -0.968 18.086 19.000 0.090 0.000 0.814 147 A HN 0.416 nan 8.150 nan 0.000 0.446 148 T N 0.394 114.996 114.554 0.080 0.000 2.668 148 T HA -0.067 4.283 4.350 -0.000 0.000 0.262 148 T C -0.024 174.685 174.700 0.016 0.000 1.045 148 T CA 1.625 63.741 62.100 0.025 0.000 1.152 148 T CB -1.062 67.771 68.868 -0.058 0.000 0.864 148 T HN 0.518 nan 8.240 nan 0.000 0.419 149 P HA -0.011 nan 4.420 nan 0.000 0.219 149 P C 0.877 178.076 177.300 -0.168 0.000 1.150 149 P CA 1.096 64.138 63.100 -0.097 0.000 0.814 149 P CB -0.283 31.367 31.700 -0.084 0.000 0.787 150 F N 0.391 120.371 119.950 0.051 0.000 2.804 150 F HA 0.132 4.659 4.527 -0.000 0.000 0.303 150 F C 0.887 176.714 175.800 0.045 0.000 1.154 150 F CA 0.082 58.108 58.000 0.043 0.000 1.401 150 F CB -0.315 38.644 39.000 -0.069 0.000 1.106 150 F HN -0.217 nan 8.300 nan 0.000 0.568 151 K N 0.483 120.957 120.400 0.122 0.000 3.077 151 K HA -0.200 4.120 4.320 -0.000 0.000 0.264 151 K C -0.398 176.229 176.600 0.044 0.000 1.008 151 K CA 0.346 56.655 56.287 0.036 0.000 0.740 151 K CB -2.237 30.207 32.500 -0.092 0.000 1.273 151 K HN 0.205 nan 8.250 nan 0.000 0.477 152 I N 1.152 121.822 120.570 0.166 0.000 2.496 152 I HA 0.028 4.198 4.170 -0.000 0.000 0.285 152 I C 1.948 178.232 176.117 0.279 0.000 1.080 152 I CA 0.313 61.728 61.300 0.192 0.000 1.404 152 I CB 0.384 38.495 38.000 0.185 0.000 1.403 152 I HN 0.254 nan 8.210 nan 0.000 0.539 153 H N 3.279 122.392 119.070 0.070 0.000 2.874 153 H HA 0.169 4.725 4.556 -0.000 0.000 0.264 153 H C 1.375 176.724 175.328 0.035 0.000 1.007 153 H CA 0.013 56.087 56.048 0.043 0.000 1.207 153 H CB 1.357 31.138 29.762 0.032 0.000 1.487 153 H HN 0.769 nan 8.280 nan 0.000 0.505 154 G N 1.072 109.964 108.800 0.154 0.000 2.735 154 G HA2 0.210 4.170 3.960 -0.000 0.000 0.192 154 G HA3 0.210 4.170 3.960 -0.000 0.000 0.192 154 G C 0.151 175.077 174.900 0.043 0.000 1.547 154 G CA 0.068 45.214 45.100 0.077 0.000 1.080 154 G HN 0.128 nan 8.290 nan 0.000 0.569 155 V N -0.735 119.177 119.914 -0.002 0.000 2.872 155 V HA 0.432 4.552 4.120 -0.000 0.000 0.307 155 V C -0.226 175.789 176.094 -0.133 0.000 1.072 155 V CA -0.202 62.066 62.300 -0.052 0.000 1.148 155 V CB 1.076 32.821 31.823 -0.129 0.000 0.954 155 V HN 0.771 nan 8.190 nan 0.000 0.490 156 N N 3.466 122.087 118.700 -0.132 0.000 2.629 156 N HA 0.518 5.258 4.740 -0.000 0.000 0.277 156 N C -1.176 174.343 175.510 0.015 0.000 1.188 156 N CA -0.556 52.435 53.050 -0.099 0.000 0.835 156 N CB 1.137 39.638 38.487 0.024 0.000 1.420 156 N HN 1.016 nan 8.380 nan 0.000 0.542 157 Y N -1.119 119.203 120.300 0.036 0.000 2.814 157 Y HA 0.661 5.211 4.550 -0.000 0.000 0.348 157 Y C -1.271 174.648 175.900 0.032 0.000 1.245 157 Y CA -1.201 56.917 58.100 0.030 0.000 1.086 157 Y CB 0.392 38.866 38.460 0.024 0.000 1.373 157 Y HN 0.117 nan 8.280 nan 0.000 0.451 158 S N 1.801 117.686 115.700 0.309 0.000 2.537 158 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 158 S C -1.078 173.661 174.600 0.232 0.000 1.092 158 S CA -0.712 57.609 58.200 0.202 0.000 1.048 158 S CB 1.267 64.543 63.200 0.127 0.000 1.053 158 S HN 0.452 nan 8.310 nan 0.000 0.501 159 I N 2.300 122.981 120.570 0.186 0.000 2.412 159 I HA 0.447 4.617 4.170 -0.000 0.000 0.296 159 I C -0.026 176.164 176.117 0.122 0.000 0.987 159 I CA -0.377 61.016 61.300 0.156 0.000 1.180 159 I CB 1.486 39.589 38.000 0.172 0.000 1.340 159 I HN 0.472 nan 8.210 nan 0.000 0.455 160 S N 3.734 119.495 115.700 0.100 0.000 2.561 160 S HA 0.532 5.002 4.470 -0.000 0.000 0.303 160 S C -0.016 174.651 174.600 0.111 0.000 1.110 160 S CA -0.590 57.670 58.200 0.100 0.000 1.034 160 S CB 1.501 64.752 63.200 0.084 0.000 1.010 160 S HN 0.687 nan 8.310 nan 0.000 0.482 161 S N 0.989 116.776 115.700 0.145 0.000 2.646 161 S HA 0.648 5.118 4.470 -0.000 0.000 0.217 161 S C 0.477 175.172 174.600 0.157 0.000 0.836 161 S CA -0.102 58.205 58.200 0.179 0.000 1.094 161 S CB -0.244 63.151 63.200 0.326 0.000 1.557 161 S HN 1.565 nan 8.310 nan 0.000 0.449 162 A N 0.720 123.615 122.820 0.124 0.000 5.483 162 A HA -0.328 3.992 4.320 -0.000 0.000 0.309 162 A C 1.630 179.239 177.584 0.041 0.000 1.898 162 A CA 1.144 53.235 52.037 0.090 0.000 0.716 162 A CB -2.160 16.895 19.000 0.091 0.000 1.309 162 A HN 1.453 nan 8.150 nan 0.000 0.380 163 C N 0.344 119.650 119.300 0.010 0.000 2.485 163 C HA 0.360 4.820 4.460 -0.000 0.000 0.283 163 C C 2.651 177.660 174.990 0.032 0.000 1.478 163 C CA 1.133 60.178 59.018 0.044 0.000 1.741 163 C CB -1.902 25.973 27.740 0.225 0.000 1.675 163 C HN 1.341 nan 8.230 nan 0.000 0.573 164 A N -0.177 122.655 122.820 0.019 0.000 2.303 164 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 164 A C 1.909 179.480 177.584 -0.022 0.000 1.205 164 A CA 0.786 52.783 52.037 -0.067 0.000 0.875 164 A CB -0.564 18.382 19.000 -0.090 0.000 0.910 164 A HN 0.429 nan 8.150 nan 0.000 0.501 165 T N 1.544 116.140 114.554 0.070 0.000 2.531 165 T HA -0.272 4.078 4.350 -0.000 0.000 0.261 165 T C 2.268 177.004 174.700 0.060 0.000 1.141 165 T CA 2.751 64.912 62.100 0.101 0.000 1.176 165 T CB -0.531 68.377 68.868 0.067 0.000 0.863 165 T HN 0.805 nan 8.240 nan 0.000 0.424 166 S N 1.522 117.218 115.700 -0.006 0.000 2.474 166 S HA 0.168 4.638 4.470 -0.000 0.000 0.235 166 S C 2.277 176.839 174.600 -0.062 0.000 0.997 166 S CA 0.796 58.976 58.200 -0.033 0.000 0.949 166 S CB -0.434 62.728 63.200 -0.064 0.000 0.766 166 S HN 0.566 nan 8.310 nan 0.000 0.517 167 A N 1.778 124.542 122.820 -0.093 0.000 1.897 167 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 167 A C 1.930 179.460 177.584 -0.090 0.000 1.181 167 A CA 1.310 53.268 52.037 -0.131 0.000 0.620 167 A CB -1.026 17.855 19.000 -0.197 0.000 0.821 167 A HN 0.677 nan 8.150 nan 0.000 0.443 168 H N -1.650 117.446 119.070 0.044 0.000 2.423 168 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 168 H C 2.202 177.516 175.328 -0.023 0.000 1.075 168 H CA 1.217 57.317 56.048 0.087 0.000 1.342 168 H CB -0.141 29.698 29.762 0.129 0.000 1.395 168 H HN 0.536 nan 8.280 nan 0.000 0.530 169 C N 0.271 119.623 119.300 0.087 0.000 2.432 169 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 169 C C 2.690 177.628 174.990 -0.086 0.000 1.249 169 C CA 0.857 59.885 59.018 0.016 0.000 1.725 169 C CB -0.815 26.927 27.740 0.003 0.000 2.028 169 C HN 0.524 nan 8.230 nan 0.000 0.477 170 I N 0.987 121.476 120.570 -0.135 0.000 2.226 170 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 170 I C 2.720 178.630 176.117 -0.345 0.000 1.100 170 I CA 1.830 63.010 61.300 -0.201 0.000 1.374 170 I CB -0.930 36.960 38.000 -0.183 0.000 1.057 170 I HN 0.454 nan 8.210 nan 0.000 0.413 171 G N 0.569 109.008 108.800 -0.601 0.000 2.418 171 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 171 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 171 G C 1.502 175.963 174.900 -0.732 0.000 1.158 171 G CA 0.721 44.962 45.100 -1.432 0.000 0.771 171 G HN 0.336 nan 8.290 nan 0.000 0.545 172 N N 1.187 119.710 118.700 -0.296 0.000 2.188 172 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 172 N C 2.551 178.020 175.510 -0.068 0.000 1.018 172 N CA 1.228 54.252 53.050 -0.044 0.000 0.858 172 N CB -0.173 38.370 38.487 0.093 0.000 0.989 172 N HN 0.246 nan 8.380 nan 0.000 0.426 173 A N 0.780 123.523 122.820 -0.130 0.000 1.902 173 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 173 A C 2.527 180.036 177.584 -0.126 0.000 1.181 173 A CA 1.358 53.316 52.037 -0.132 0.000 0.623 173 A CB -0.838 18.067 19.000 -0.158 0.000 0.818 173 A HN 0.161 nan 8.150 nan 0.000 0.443 174 V N 0.134 119.953 119.914 -0.160 0.000 2.287 174 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 174 V C 2.422 178.484 176.094 -0.054 0.000 1.053 174 V CA 2.404 64.634 62.300 -0.117 0.000 1.027 174 V CB -0.897 30.841 31.823 -0.141 0.000 0.646 174 V HN 0.652 nan 8.190 nan 0.000 0.447 175 E N -0.577 119.604 120.200 -0.031 0.000 2.077 175 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 175 E C 2.404 179.015 176.600 0.018 0.000 0.989 175 E CA 1.169 57.588 56.400 0.031 0.000 0.800 175 E CB -0.168 29.582 29.700 0.083 0.000 0.746 175 E HN 0.546 nan 8.360 nan 0.000 0.452 176 Q N 0.275 120.075 119.800 0.000 0.000 2.135 176 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 176 Q C 2.267 178.254 176.000 -0.022 0.000 0.981 176 Q CA 1.130 56.932 55.803 -0.002 0.000 0.856 176 Q CB -0.180 28.545 28.738 -0.022 0.000 0.902 176 Q HN 0.438 nan 8.270 nan 0.000 0.425 177 I N 0.547 121.091 120.570 -0.043 0.000 2.286 177 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 177 I C 2.304 178.407 176.117 -0.023 0.000 1.104 177 I CA 0.985 62.255 61.300 -0.050 0.000 1.397 177 I CB -0.293 37.665 38.000 -0.070 0.000 1.072 177 I HN 0.225 nan 8.210 nan 0.000 0.417 178 Q N 0.581 120.375 119.800 -0.009 0.000 2.226 178 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 178 Q C 2.123 178.129 176.000 0.011 0.000 0.975 178 Q CA 1.165 56.972 55.803 0.006 0.000 0.866 178 Q CB -0.060 28.691 28.738 0.022 0.000 0.915 178 Q HN 0.537 nan 8.270 nan 0.000 0.440 179 L N -0.584 120.646 121.223 0.012 0.000 2.599 179 L HA 0.079 4.419 4.340 -0.000 0.000 0.230 179 L C 1.161 178.036 176.870 0.009 0.000 1.141 179 L CA 0.368 55.217 54.840 0.015 0.000 0.877 179 L CB -0.172 41.901 42.059 0.023 0.000 1.009 179 L HN 0.410 nan 8.230 nan 0.000 0.447 180 G N 0.208 109.009 108.800 0.000 0.000 2.155 180 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 180 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 180 G C 1.030 175.928 174.900 -0.004 0.000 0.983 180 G CA 0.666 45.764 45.100 -0.003 0.000 0.676 180 G HN 0.407 nan 8.290 nan 0.000 0.528 181 K N -0.905 119.492 120.400 -0.004 0.000 2.305 181 K HA 0.098 4.418 4.320 -0.000 0.000 0.199 181 K C 0.954 177.545 176.600 -0.016 0.000 1.047 181 K CA 0.791 57.078 56.287 -0.000 0.000 0.976 181 K CB 0.083 32.591 32.500 0.013 0.000 0.765 181 K HN 0.442 nan 8.250 nan 0.000 0.474 182 Q N -0.373 119.403 119.800 -0.040 0.000 2.416 182 Q HA 0.147 4.487 4.340 -0.000 0.000 0.281 182 Q C -0.531 175.397 176.000 -0.119 0.000 1.067 182 Q CA -0.370 55.389 55.803 -0.074 0.000 0.809 182 Q CB 1.989 30.675 28.738 -0.087 0.000 1.418 182 Q HN -0.054 nan 8.270 nan 0.000 0.411 183 D N 0.201 120.488 120.400 -0.188 0.000 2.324 183 D HA 0.280 4.920 4.640 -0.000 0.000 0.212 183 D C 0.270 176.336 176.300 -0.389 0.000 0.984 183 D CA 0.794 54.605 54.000 -0.315 0.000 0.885 183 D CB 1.360 41.847 40.800 -0.521 0.000 0.996 183 D HN 0.354 nan 8.370 nan 0.000 0.505 184 I N 0.681 121.038 120.570 -0.355 0.000 2.656 184 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 184 I C -1.229 174.658 176.117 -0.382 0.000 1.144 184 I CA -0.772 60.289 61.300 -0.399 0.000 1.038 184 I CB 3.368 41.088 38.000 -0.466 0.000 1.244 184 I HN -0.409 nan 8.210 nan 0.000 0.420 185 V N 5.768 125.424 119.914 -0.429 0.000 2.623 185 V HA 0.399 4.519 4.120 -0.000 0.000 0.304 185 V C -0.770 175.064 176.094 -0.433 0.000 1.054 185 V CA -0.603 61.490 62.300 -0.345 0.000 0.882 185 V CB 1.872 33.568 31.823 -0.212 0.000 1.002 185 V HN 0.378 nan 8.190 nan 0.000 0.424 186 F N 3.349 123.189 119.950 -0.183 0.000 2.438 186 F HA 0.704 5.231 4.527 -0.000 0.000 0.356 186 F C 0.715 176.403 175.800 -0.186 0.000 1.099 186 F CA -0.006 57.866 58.000 -0.214 0.000 1.185 186 F CB 1.237 40.066 39.000 -0.285 0.000 1.115 186 F HN 0.581 nan 8.300 nan 0.000 0.526 187 A N 2.400 125.199 122.820 -0.034 0.000 2.414 187 A HA 0.943 5.263 4.320 -0.000 0.000 0.306 187 A C -0.071 177.474 177.584 -0.065 0.000 1.054 187 A CA 0.070 52.067 52.037 -0.067 0.000 0.724 187 A CB 1.527 20.461 19.000 -0.110 0.000 1.267 187 A HN 1.051 nan 8.150 nan 0.000 0.418 188 G N -0.374 108.392 108.800 -0.057 0.000 2.512 188 G HA2 0.728 4.688 3.960 -0.000 0.000 0.181 188 G HA3 0.728 4.688 3.960 -0.000 0.000 0.181 188 G C -0.117 174.761 174.900 -0.035 0.000 1.173 188 G CA 0.464 45.527 45.100 -0.061 0.000 0.988 188 G HN 2.386 nan 8.290 nan 0.000 0.485 189 G N -2.123 106.660 108.800 -0.028 0.000 2.342 189 G HA2 0.800 4.760 3.960 -0.000 0.000 0.297 189 G HA3 0.800 4.760 3.960 -0.000 0.000 0.297 189 G C -0.537 174.373 174.900 0.017 0.000 1.313 189 G CA 0.689 45.789 45.100 -0.000 0.000 0.830 189 G HN 2.090 nan 8.290 nan 0.000 0.506 190 G N -1.280 107.547 108.800 0.044 0.000 2.692 190 G HA2 0.682 4.641 3.960 -0.000 0.000 0.291 190 G HA3 0.682 4.641 3.960 -0.000 0.000 0.291 190 G C -1.958 172.995 174.900 0.088 0.000 1.423 190 G CA -0.308 44.848 45.100 0.093 0.000 0.843 190 G HN 0.701 nan 8.290 nan 0.000 0.486 191 E N -0.226 120.058 120.200 0.140 0.000 2.321 191 E HA 0.357 4.707 4.350 -0.000 0.000 0.281 191 E C -0.266 176.448 176.600 0.189 0.000 0.910 191 E CA -0.669 55.792 56.400 0.101 0.000 0.770 191 E CB 1.497 31.201 29.700 0.007 0.000 1.225 191 E HN 0.705 nan 8.360 nan 0.000 0.417 192 E N 2.959 123.244 120.200 0.141 0.000 2.345 192 E HA 0.428 4.778 4.350 -0.000 0.000 0.259 192 E C -0.731 175.929 176.600 0.099 0.000 1.117 192 E CA -0.859 55.630 56.400 0.147 0.000 0.913 192 E CB 1.149 30.887 29.700 0.063 0.000 1.057 192 E HN 0.241 nan 8.360 nan 0.000 0.432 193 L N 2.284 123.541 121.223 0.057 0.000 2.343 193 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 193 L C -1.296 175.602 176.870 0.047 0.000 0.996 193 L CA -0.380 54.447 54.840 -0.022 0.000 0.831 193 L CB 0.825 42.704 42.059 -0.300 0.000 1.232 193 L HN 0.936 nan 8.230 nan 0.000 0.413 194 C N 2.211 121.608 119.300 0.161 0.000 3.284 194 C HA 0.430 4.890 4.460 -0.000 0.000 0.338 194 C C 1.043 176.141 174.990 0.180 0.000 1.237 194 C CA -1.002 58.114 59.018 0.163 0.000 1.276 194 C CB 0.643 28.345 27.740 -0.064 0.000 1.601 194 C HN 1.042 nan 8.230 nan 0.000 0.494 195 W N 0.972 122.392 121.300 0.200 0.000 2.402 195 W HA 0.027 4.687 4.660 -0.000 0.000 0.286 195 W C 1.047 177.641 176.519 0.124 0.000 1.221 195 W CA 1.791 59.218 57.345 0.136 0.000 1.257 195 W CB -1.073 28.424 29.460 0.062 0.000 1.120 195 W HN 0.877 nan 8.180 nan 0.000 0.551 196 E N 0.886 120.440 120.200 -1.077 0.000 2.114 196 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 196 E C 2.329 178.768 176.600 -0.269 0.000 1.008 196 E CA 2.839 58.642 56.400 -0.993 0.000 0.810 196 E CB -0.686 28.486 29.700 -0.878 0.000 0.739 196 E HN 0.388 nan 8.360 nan 0.000 0.456 197 M N -0.736 118.812 119.600 -0.087 0.000 2.325 197 M HA 0.123 4.603 4.480 -0.000 0.000 0.265 197 M C 2.064 178.542 176.300 0.296 0.000 1.094 197 M CA 1.158 56.525 55.300 0.112 0.000 1.161 197 M CB 0.151 32.851 32.600 0.167 0.000 1.358 197 M HN 0.147 nan 8.290 nan 0.000 0.446 198 A N 0.435 123.437 122.820 0.304 0.000 1.940 198 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 198 A C 2.317 180.107 177.584 0.342 0.000 1.176 198 A CA 1.776 54.041 52.037 0.381 0.000 0.631 198 A CB -1.717 17.471 19.000 0.313 0.000 0.814 198 A HN 0.872 nan 8.150 nan 0.000 0.446 199 C N -0.667 118.809 119.300 0.294 0.000 2.419 199 C HA -0.033 4.426 4.460 -0.000 0.000 0.281 199 C C 2.142 177.241 174.990 0.182 0.000 1.336 199 C CA 0.968 60.138 59.018 0.254 0.000 1.770 199 C CB -1.510 26.429 27.740 0.331 0.000 1.929 199 C HN 0.651 nan 8.230 nan 0.000 0.509 200 E N 0.436 120.719 120.200 0.139 0.000 2.072 200 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 200 E C 1.768 178.349 176.600 -0.032 0.000 0.985 200 E CA 1.440 57.841 56.400 0.001 0.000 0.801 200 E CB -0.304 29.323 29.700 -0.122 0.000 0.750 200 E HN 0.774 nan 8.360 nan 0.000 0.452 201 F N 1.085 121.136 119.950 0.168 0.000 2.206 201 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 201 F C 2.220 178.070 175.800 0.084 0.000 1.090 201 F CA 1.000 59.111 58.000 0.184 0.000 1.323 201 F CB -0.119 38.997 39.000 0.193 0.000 1.028 201 F HN -0.034 nan 8.300 nan 0.000 0.492 202 D N 0.234 120.769 120.400 0.225 0.000 2.144 202 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 202 D C 2.237 178.595 176.300 0.097 0.000 0.978 202 D CA 1.176 55.247 54.000 0.119 0.000 0.833 202 D CB -0.211 40.653 40.800 0.108 0.000 0.961 202 D HN 0.159 nan 8.370 nan 0.000 0.470 203 A N 0.629 123.507 122.820 0.096 0.000 2.070 203 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 203 A C 2.149 179.764 177.584 0.052 0.000 1.159 203 A CA 1.589 53.664 52.037 0.064 0.000 0.656 203 A CB -0.727 18.306 19.000 0.055 0.000 0.800 203 A HN 0.514 nan 8.150 nan 0.000 0.453 204 M N -3.324 116.319 119.600 0.071 0.000 2.383 204 M HA 0.462 4.942 4.480 -0.000 0.000 0.247 204 M C 1.004 177.355 176.300 0.085 0.000 1.117 204 M CA 0.595 55.932 55.300 0.061 0.000 0.995 204 M CB 0.082 32.712 32.600 0.049 0.000 1.480 204 M HN 0.558 nan 8.290 nan 0.000 0.485 205 G N 1.103 109.956 108.800 0.087 0.000 2.176 205 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 205 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 205 G C 0.720 175.680 174.900 0.101 0.000 1.024 205 G CA 0.391 45.536 45.100 0.075 0.000 0.755 205 G HN 0.769 nan 8.290 nan 0.000 0.507 206 A N -1.022 121.888 122.820 0.149 0.000 2.132 206 A HA 0.644 4.964 4.320 -0.000 0.000 0.213 206 A C 1.293 178.824 177.584 -0.087 0.000 1.154 206 A CA 0.695 52.851 52.037 0.198 0.000 0.753 206 A CB 0.158 19.474 19.000 0.528 0.000 0.826 206 A HN 0.647 nan 8.150 nan 0.000 0.469 207 L N 0.020 121.126 121.223 -0.195 0.000 2.379 207 L HA 0.343 4.683 4.340 -0.000 0.000 0.269 207 L C 0.763 177.560 176.870 -0.122 0.000 1.084 207 L CA -0.563 54.072 54.840 -0.342 0.000 0.802 207 L CB 1.472 43.358 42.059 -0.289 0.000 1.175 207 L HN 0.161 nan 8.230 nan 0.000 0.448 208 S N 0.105 115.755 115.700 -0.084 0.000 2.549 208 S HA 0.149 4.619 4.470 -0.000 0.000 0.283 208 S C 0.736 175.340 174.600 0.007 0.000 1.320 208 S CA 0.178 58.398 58.200 0.033 0.000 1.058 208 S CB 0.438 63.698 63.200 0.100 0.000 0.882 208 S HN 0.830 nan 8.310 nan 0.000 0.498 209 T N 1.393 115.950 114.554 0.005 0.000 3.080 209 T HA 0.338 4.688 4.350 -0.000 0.000 0.280 209 T C 0.805 175.435 174.700 -0.115 0.000 0.926 209 T CA -0.536 61.516 62.100 -0.080 0.000 0.883 209 T CB 0.070 68.883 68.868 -0.091 0.000 1.194 209 T HN 0.495 nan 8.240 nan 0.000 0.541 210 K N 0.826 121.153 120.400 -0.121 0.000 2.404 210 K HA 0.259 4.578 4.320 -0.000 0.000 0.194 210 K C -0.363 175.905 176.600 -0.552 0.000 1.023 210 K CA 0.298 56.375 56.287 -0.350 0.000 1.094 210 K CB 0.042 32.253 32.500 -0.483 0.000 0.841 210 K HN 0.568 nan 8.250 nan 0.000 0.523 211 Y N 0.111 120.403 120.300 -0.013 0.000 2.715 211 Y HA 0.226 4.776 4.550 -0.000 0.000 0.255 211 Y C 1.026 176.941 175.900 0.024 0.000 1.139 211 Y CA -0.576 57.528 58.100 0.006 0.000 1.151 211 Y CB 0.152 38.623 38.460 0.018 0.000 1.201 211 Y HN -0.049 nan 8.280 nan 0.000 0.556 212 N N 0.651 119.408 118.700 0.094 0.000 2.289 212 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 212 N C 0.982 176.601 175.510 0.181 0.000 1.016 212 N CA 1.410 54.551 53.050 0.153 0.000 0.872 212 N CB 0.046 38.590 38.487 0.094 0.000 0.973 212 N HN 0.486 nan 8.380 nan 0.000 0.433 213 D N -0.075 120.383 120.400 0.096 0.000 2.269 213 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 213 D C 0.529 176.868 176.300 0.066 0.000 0.963 213 D CA 0.948 54.976 54.000 0.047 0.000 0.864 213 D CB 0.093 40.901 40.800 0.013 0.000 0.936 213 D HN 0.337 nan 8.370 nan 0.000 0.505 214 T N -1.888 112.737 114.554 0.119 0.000 3.410 214 T HA 0.335 4.685 4.350 -0.000 0.000 0.328 214 T C -2.319 172.463 174.700 0.136 0.000 1.567 214 T CA -1.703 60.466 62.100 0.116 0.000 1.626 214 T CB 1.795 70.738 68.868 0.126 0.000 0.939 214 T HN -0.284 nan 8.240 nan 0.000 0.656 215 P HA -0.185 nan 4.420 nan 0.000 0.218 215 P C 1.345 178.702 177.300 0.096 0.000 1.154 215 P CA 1.381 64.569 63.100 0.147 0.000 0.872 215 P CB 0.115 31.924 31.700 0.182 0.000 0.790 216 E N -0.730 119.513 120.200 0.071 0.000 2.472 216 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 216 E C 1.205 177.801 176.600 -0.006 0.000 1.046 216 E CA 0.696 57.117 56.400 0.036 0.000 0.871 216 E CB -0.242 29.476 29.700 0.030 0.000 0.806 216 E HN 0.433 nan 8.360 nan 0.000 0.533 217 K N -0.274 120.113 120.400 -0.021 0.000 2.358 217 K HA 0.234 4.554 4.320 -0.000 0.000 0.200 217 K C 1.672 178.085 176.600 -0.312 0.000 1.030 217 K CA 0.204 56.417 56.287 -0.124 0.000 1.097 217 K CB 0.823 33.273 32.500 -0.083 0.000 0.862 217 K HN -0.032 nan 8.250 nan 0.000 0.534 218 A N 1.324 124.053 122.820 -0.153 0.000 1.873 218 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 218 A C 1.398 178.883 177.584 -0.165 0.000 1.186 218 A CA 1.130 53.082 52.037 -0.141 0.000 0.616 218 A CB -0.091 18.956 19.000 0.077 0.000 0.823 218 A HN 0.157 nan 8.150 nan 0.000 0.442 219 S N 0.608 116.255 115.700 -0.087 0.000 2.416 219 S HA 0.425 4.895 4.470 -0.000 0.000 0.287 219 S C 0.259 174.791 174.600 -0.113 0.000 1.139 219 S CA -0.629 57.535 58.200 -0.061 0.000 1.058 219 S CB -0.122 63.071 63.200 -0.012 0.000 0.967 219 S HN 0.489 nan 8.310 nan 0.000 0.495 220 R N 2.781 123.205 120.500 -0.127 0.000 2.627 220 R HA 0.191 4.531 4.340 -0.000 0.000 0.251 220 R C -0.782 175.453 176.300 -0.109 0.000 1.524 220 R CA -0.635 55.393 56.100 -0.121 0.000 1.606 220 R CB -0.909 29.288 30.300 -0.171 0.000 1.396 220 R HN 0.422 nan 8.270 nan 0.000 0.724 221 T N 2.096 116.542 114.554 -0.180 0.000 2.891 221 T HA -0.069 4.281 4.350 -0.000 0.000 0.296 221 T C -0.019 174.481 174.700 -0.333 0.000 1.025 221 T CA 0.960 62.822 62.100 -0.396 0.000 1.149 221 T CB -0.111 68.385 68.868 -0.620 0.000 1.007 221 T HN 0.547 nan 8.240 nan 0.000 0.528 222 Y N -1.310 119.004 120.300 0.023 0.000 4.894 222 Y HA -0.211 4.339 4.550 -0.000 0.000 0.270 222 Y C 0.712 176.630 175.900 0.030 0.000 0.930 222 Y CA 0.463 58.579 58.100 0.026 0.000 1.814 222 Y CB -2.255 36.219 38.460 0.022 0.000 1.235 222 Y HN 0.771 nan 8.280 nan 0.000 0.480 223 D N 0.565 121.039 120.400 0.123 0.000 2.382 223 D HA 0.557 5.196 4.640 -0.000 0.000 0.245 223 D C 1.268 177.634 176.300 0.109 0.000 1.120 223 D CA 0.786 54.855 54.000 0.115 0.000 0.890 223 D CB 1.303 42.150 40.800 0.078 0.000 1.201 223 D HN 0.271 nan 8.370 nan 0.000 0.433 224 A N 3.149 126.035 122.820 0.111 0.000 2.070 224 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 224 A C 1.123 178.619 177.584 -0.147 0.000 1.159 224 A CA 1.340 53.370 52.037 -0.011 0.000 0.656 224 A CB -0.538 18.432 19.000 -0.050 0.000 0.800 224 A HN 0.758 nan 8.150 nan 0.000 0.453 225 H N -0.438 118.689 119.070 0.095 0.000 2.505 225 H HA 0.178 4.734 4.556 -0.000 0.000 0.286 225 H C 0.586 176.024 175.328 0.184 0.000 1.072 225 H CA -0.222 55.913 56.048 0.145 0.000 1.141 225 H CB 0.041 29.922 29.762 0.198 0.000 1.550 225 H HN 0.607 nan 8.280 nan 0.000 0.547 226 R N 1.389 121.989 120.500 0.166 0.000 2.679 226 R HA 0.033 4.373 4.340 -0.000 0.000 0.268 226 R C -0.470 175.928 176.300 0.164 0.000 1.044 226 R CA 0.424 56.599 56.100 0.124 0.000 1.105 226 R CB 0.448 30.776 30.300 0.046 0.000 0.989 226 R HN 0.218 nan 8.270 nan 0.000 0.447 227 D N 0.384 120.895 120.400 0.185 0.000 2.785 227 D HA 0.230 4.870 4.640 -0.000 0.000 0.324 227 D C 0.024 176.392 176.300 0.113 0.000 1.523 227 D CA 0.020 54.112 54.000 0.154 0.000 0.789 227 D CB 0.426 41.334 40.800 0.180 0.000 1.171 227 D HN 0.916 nan 8.370 nan 0.000 0.447 228 G N 0.409 109.273 108.800 0.108 0.000 2.406 228 G HA2 0.228 4.188 3.960 -0.000 0.000 0.680 228 G HA3 0.228 4.188 3.960 -0.000 0.000 0.680 228 G C -0.585 174.381 174.900 0.109 0.000 1.338 228 G CA -0.703 44.456 45.100 0.098 0.000 0.941 228 G HN 0.323 nan 8.290 nan 0.000 0.633 229 F N -0.474 119.497 119.950 0.035 0.000 2.375 229 F HA 0.813 5.340 4.527 -0.000 0.000 0.313 229 F C 0.251 176.070 175.800 0.033 0.000 1.176 229 F CA -1.372 56.626 58.000 -0.002 0.000 1.142 229 F CB 1.235 40.202 39.000 -0.054 0.000 1.275 229 F HN 0.396 nan 8.300 nan 0.000 0.544 230 V N 4.087 124.163 119.914 0.271 0.000 2.347 230 V HA 0.258 4.378 4.120 -0.000 0.000 0.280 230 V C 0.194 176.477 176.094 0.316 0.000 1.021 230 V CA -0.878 61.519 62.300 0.162 0.000 0.847 230 V CB 1.123 33.030 31.823 0.139 0.000 0.990 230 V HN 0.845 nan 8.190 nan 0.000 0.444 231 I N 4.745 125.445 120.570 0.218 0.000 2.692 231 I HA 0.496 4.666 4.170 -0.000 0.000 0.284 231 I C 0.496 176.725 176.117 0.185 0.000 1.159 231 I CA 0.530 61.992 61.300 0.269 0.000 1.423 231 I CB 0.822 38.925 38.000 0.172 0.000 1.380 231 I HN 0.793 nan 8.210 nan 0.000 0.580 232 A N 4.985 127.844 122.820 0.066 0.000 2.569 232 A HA 0.889 5.209 4.320 -0.000 0.000 0.290 232 A C -0.568 176.950 177.584 -0.110 0.000 1.136 232 A CA -0.128 51.888 52.037 -0.034 0.000 0.710 232 A CB 1.396 20.373 19.000 -0.038 0.000 1.303 232 A HN 0.825 nan 8.150 nan 0.000 0.413 233 G N -1.763 106.926 108.800 -0.185 0.000 2.818 233 G HA2 0.924 4.884 3.960 -0.000 0.000 0.286 233 G HA3 0.924 4.884 3.960 -0.000 0.000 0.286 233 G C -0.035 174.670 174.900 -0.325 0.000 1.364 233 G CA -0.270 44.722 45.100 -0.181 0.000 0.938 233 G HN 2.286 nan 8.290 nan 0.000 0.490 234 G N -2.214 106.342 108.800 -0.406 0.000 2.340 234 G HA2 0.606 4.566 3.960 -0.000 0.000 0.282 234 G HA3 0.606 4.566 3.960 -0.000 0.000 0.282 234 G C -0.344 174.444 174.900 -0.187 0.000 1.312 234 G CA 0.195 44.934 45.100 -0.601 0.000 0.942 234 G HN 1.981 nan 8.290 nan 0.000 0.495 235 G N -1.875 106.846 108.800 -0.131 0.000 2.684 235 G HA2 1.021 4.981 3.960 -0.000 0.000 0.290 235 G HA3 1.021 4.981 3.960 -0.000 0.000 0.290 235 G C -0.366 174.499 174.900 -0.059 0.000 1.425 235 G CA 0.341 45.438 45.100 -0.005 0.000 0.822 235 G HN 2.118 nan 8.290 nan 0.000 0.482 236 G N -1.268 107.498 108.800 -0.057 0.000 2.703 236 G HA2 0.669 4.629 3.960 -0.000 0.000 0.294 236 G HA3 0.669 4.629 3.960 -0.000 0.000 0.294 236 G C -1.707 173.141 174.900 -0.086 0.000 1.451 236 G CA -0.576 44.466 45.100 -0.096 0.000 0.869 236 G HN 0.941 nan 8.290 nan 0.000 0.516 237 M N 0.985 120.526 119.600 -0.099 0.000 2.413 237 M HA 0.684 5.164 4.480 -0.000 0.000 0.287 237 M C -1.095 175.148 176.300 -0.094 0.000 1.186 237 M CA -0.741 54.505 55.300 -0.090 0.000 0.927 237 M CB 2.312 34.851 32.600 -0.103 0.000 1.715 237 M HN 1.209 nan 8.290 nan 0.000 0.478 238 V N 1.493 121.355 119.914 -0.085 0.000 2.962 238 V HA 0.891 5.011 4.120 -0.000 0.000 0.313 238 V C -1.177 174.861 176.094 -0.093 0.000 1.099 238 V CA -0.942 61.298 62.300 -0.101 0.000 0.971 238 V CB 1.820 33.561 31.823 -0.136 0.000 1.028 238 V HN 0.607 nan 8.190 nan 0.000 0.430 239 V N 3.752 123.601 119.914 -0.108 0.000 2.334 239 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 239 V C 0.173 176.138 176.094 -0.215 0.000 1.040 239 V CA -0.318 61.842 62.300 -0.233 0.000 0.866 239 V CB 1.066 32.776 31.823 -0.188 0.000 1.019 239 V HN 0.730 nan 8.190 nan 0.000 0.468 240 V N 5.221 124.974 119.914 -0.268 0.000 2.432 240 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 240 V C 0.068 176.024 176.094 -0.230 0.000 1.043 240 V CA -0.262 61.915 62.300 -0.204 0.000 0.925 240 V CB 1.325 33.033 31.823 -0.192 0.000 0.985 240 V HN 0.976 nan 8.190 nan 0.000 0.466 241 E N 2.730 122.833 120.200 -0.162 0.000 2.356 241 E HA 0.324 4.674 4.350 -0.000 0.000 0.275 241 E C -0.841 175.704 176.600 -0.092 0.000 0.904 241 E CA -0.737 55.571 56.400 -0.154 0.000 0.757 241 E CB 1.845 31.476 29.700 -0.115 0.000 1.232 241 E HN 0.691 nan 8.360 nan 0.000 0.442 242 E N 3.650 123.797 120.200 -0.088 0.000 2.384 242 E HA -0.034 4.316 4.350 -0.000 0.000 0.266 242 E C 0.797 177.404 176.600 0.012 0.000 1.012 242 E CA -0.084 56.297 56.400 -0.033 0.000 0.901 242 E CB 1.099 30.784 29.700 -0.024 0.000 0.967 242 E HN 0.641 nan 8.360 nan 0.000 0.435 243 L N 5.628 126.853 121.223 0.002 0.000 1.990 243 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 243 L C 1.891 178.771 176.870 0.018 0.000 1.072 243 L CA 1.982 56.824 54.840 0.003 0.000 0.755 243 L CB -0.420 41.636 42.059 -0.005 0.000 0.889 243 L HN 0.543 nan 8.230 nan 0.000 0.432 244 E N -0.973 119.243 120.200 0.026 0.000 2.085 244 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 244 E C 2.241 178.860 176.600 0.032 0.000 0.994 244 E CA 1.464 57.877 56.400 0.022 0.000 0.801 244 E CB -0.743 28.970 29.700 0.023 0.000 0.743 244 E HN 0.681 nan 8.360 nan 0.000 0.453 245 H N 0.460 119.513 119.070 -0.028 0.000 2.321 245 H HA -0.029 4.527 4.556 -0.000 0.000 0.300 245 H C 1.857 177.167 175.328 -0.030 0.000 1.087 245 H CA 1.759 57.790 56.048 -0.028 0.000 1.319 245 H CB 0.179 29.920 29.762 -0.035 0.000 1.379 245 H HN 0.135 nan 8.280 nan 0.000 0.501 246 A N 1.163 124.047 122.820 0.107 0.000 1.877 246 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 246 A C 2.882 180.456 177.584 -0.017 0.000 1.186 246 A CA 1.227 53.290 52.037 0.043 0.000 0.620 246 A CB -0.874 18.137 19.000 0.018 0.000 0.822 246 A HN 0.406 nan 8.150 nan 0.000 0.443 247 L N -0.749 120.461 121.223 -0.022 0.000 2.046 247 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 247 L C 3.107 179.949 176.870 -0.048 0.000 1.077 247 L CA 1.030 55.850 54.840 -0.033 0.000 0.747 247 L CB -0.624 41.419 42.059 -0.026 0.000 0.896 247 L HN 0.447 nan 8.230 nan 0.000 0.432 248 A N 1.151 123.929 122.820 -0.071 0.000 1.908 248 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 248 A C 2.247 179.772 177.584 -0.098 0.000 1.181 248 A CA 1.907 53.888 52.037 -0.094 0.000 0.627 248 A CB -0.551 18.365 19.000 -0.140 0.000 0.818 248 A HN 0.581 nan 8.150 nan 0.000 0.445 249 R N -0.940 119.491 120.500 -0.116 0.000 2.334 249 R HA 0.325 4.665 4.340 -0.000 0.000 0.220 249 R C 0.944 177.220 176.300 -0.039 0.000 0.917 249 R CA 0.641 56.692 56.100 -0.083 0.000 1.073 249 R CB -0.734 29.509 30.300 -0.095 0.000 1.056 249 R HN 0.779 nan 8.270 nan 0.000 0.506 250 G N 0.813 109.592 108.800 -0.035 0.000 2.273 250 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.280 250 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.280 250 G C 0.284 175.180 174.900 -0.006 0.000 1.047 250 G CA 0.233 45.322 45.100 -0.019 0.000 0.869 250 G HN 0.723 nan 8.290 nan 0.000 0.502 251 A N -0.455 122.362 122.820 -0.006 0.000 2.366 251 A HA 0.600 4.920 4.320 -0.000 0.000 0.249 251 A C 0.419 178.004 177.584 0.002 0.000 1.084 251 A CA 0.280 52.324 52.037 0.011 0.000 0.794 251 A CB 0.327 19.334 19.000 0.013 0.000 1.034 251 A HN 1.382 nan 8.150 nan 0.000 0.491 252 H N 0.679 119.698 119.070 -0.086 0.000 2.742 252 H HA 0.501 5.056 4.556 -0.000 0.000 0.302 252 H C -0.700 174.509 175.328 -0.198 0.000 1.069 252 H CA -0.243 55.705 56.048 -0.166 0.000 1.446 252 H CB 0.075 29.698 29.762 -0.231 0.000 1.462 252 H HN 0.412 nan 8.280 nan 0.000 0.499 253 I N 7.050 127.198 120.570 -0.704 0.000 2.312 253 I HA 0.028 4.198 4.170 -0.000 0.000 0.290 253 I C 0.052 175.763 176.117 -0.677 0.000 1.008 253 I CA -0.456 60.540 61.300 -0.506 0.000 1.226 253 I CB 0.921 38.779 38.000 -0.238 0.000 1.371 253 I HN 0.747 nan 8.210 nan 0.000 0.468 254 Y N 5.093 125.166 120.300 -0.378 0.000 2.206 254 Y HA 0.234 4.784 4.550 -0.000 0.000 0.292 254 Y C 1.249 177.066 175.900 -0.138 0.000 1.123 254 Y CA 0.953 58.920 58.100 -0.221 0.000 1.142 254 Y CB 0.156 38.563 38.460 -0.089 0.000 1.006 254 Y HN 0.673 nan 8.280 nan 0.000 0.518 255 A N -0.785 122.067 122.820 0.053 0.000 2.544 255 A HA 0.392 4.712 4.320 -0.000 0.000 0.291 255 A C -1.473 176.110 177.584 -0.002 0.000 1.055 255 A CA -0.848 51.199 52.037 0.015 0.000 0.651 255 A CB 0.603 19.625 19.000 0.036 0.000 1.296 255 A HN 0.075 nan 8.150 nan 0.000 0.431 256 E N 0.740 120.936 120.200 -0.006 0.000 2.231 256 E HA 0.517 4.867 4.350 -0.000 0.000 0.277 256 E C -0.893 175.705 176.600 -0.002 0.000 0.999 256 E CA -0.700 55.695 56.400 -0.009 0.000 0.827 256 E CB 0.682 30.378 29.700 -0.007 0.000 1.101 256 E HN 0.455 nan 8.360 nan 0.000 0.393 257 I N 6.427 126.992 120.570 -0.009 0.000 2.308 257 I HA -0.002 4.168 4.170 -0.000 0.000 0.293 257 I C 1.049 177.177 176.117 0.018 0.000 1.078 257 I CA 0.057 61.355 61.300 -0.002 0.000 1.292 257 I CB 0.608 38.593 38.000 -0.025 0.000 1.423 257 I HN 0.513 nan 8.210 nan 0.000 0.493 258 V N 3.417 123.349 119.914 0.030 0.000 3.660 258 V HA 0.571 4.691 4.120 -0.000 0.000 0.276 258 V C 0.702 176.831 176.094 0.059 0.000 1.317 258 V CA 0.231 62.555 62.300 0.040 0.000 1.097 258 V CB 0.204 32.048 31.823 0.035 0.000 0.863 258 V HN 0.699 nan 8.190 nan 0.000 0.438 259 G N -0.451 108.393 108.800 0.072 0.000 2.759 259 G HA2 0.544 4.504 3.960 -0.000 0.000 0.297 259 G HA3 0.544 4.504 3.960 -0.000 0.000 0.297 259 G C -2.316 172.678 174.900 0.156 0.000 1.434 259 G CA -0.585 44.570 45.100 0.091 0.000 0.980 259 G HN 0.348 nan 8.290 nan 0.000 0.531 260 Y N 1.188 121.488 120.300 -0.001 0.000 2.362 260 Y HA 0.683 5.233 4.550 -0.000 0.000 0.326 260 Y C -0.192 175.710 175.900 0.003 0.000 1.083 260 Y CA -1.138 56.962 58.100 -0.000 0.000 1.073 260 Y CB 1.772 40.239 38.460 0.012 0.000 1.211 260 Y HN 0.858 nan 8.280 nan 0.000 0.433 261 G N 3.061 111.683 108.800 -0.297 0.000 2.452 261 G HA2 0.772 4.732 3.960 -0.000 0.000 0.324 261 G HA3 0.772 4.732 3.960 -0.000 0.000 0.324 261 G C -1.722 172.904 174.900 -0.456 0.000 1.214 261 G CA -0.623 44.247 45.100 -0.384 0.000 0.947 261 G HN 1.171 nan 8.290 nan 0.000 0.478 262 A N 1.419 124.014 122.820 -0.374 0.000 2.442 262 A HA 0.860 5.180 4.320 -0.000 0.000 0.284 262 A C -0.055 177.505 177.584 -0.040 0.000 1.058 262 A CA -0.060 51.920 52.037 -0.094 0.000 0.738 262 A CB 1.274 20.213 19.000 -0.100 0.000 1.242 262 A HN 1.597 nan 8.150 nan 0.000 0.421 263 T N -1.448 113.133 114.554 0.045 0.000 2.804 263 T HA 0.862 5.211 4.350 -0.000 0.000 0.290 263 T C -0.309 174.418 174.700 0.044 0.000 1.099 263 T CA -0.452 61.656 62.100 0.014 0.000 1.011 263 T CB 1.702 70.562 68.868 -0.014 0.000 1.291 263 T HN 1.409 nan 8.240 nan 0.000 0.523 264 S N -1.027 114.682 115.700 0.015 0.000 2.536 264 S HA 0.476 4.946 4.470 -0.000 0.000 0.287 264 S C -0.239 174.360 174.600 -0.002 0.000 1.101 264 S CA -0.603 57.608 58.200 0.019 0.000 0.950 264 S CB 1.610 64.816 63.200 0.011 0.000 1.056 264 S HN 0.693 nan 8.310 nan 0.000 0.481 265 D N 2.668 123.066 120.400 -0.003 0.000 2.137 265 D HA 0.160 4.800 4.640 -0.000 0.000 0.202 265 D C 1.483 177.775 176.300 -0.014 0.000 0.970 265 D CA 1.466 55.453 54.000 -0.022 0.000 0.837 265 D CB -0.496 40.288 40.800 -0.027 0.000 0.981 265 D HN 1.033 nan 8.370 nan 0.000 0.475 266 G N 0.143 108.942 108.800 -0.002 0.000 2.305 266 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.287 266 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.287 266 G C 0.646 175.542 174.900 -0.006 0.000 1.036 266 G CA 0.926 46.025 45.100 -0.003 0.000 0.887 266 G HN 0.620 nan 8.290 nan 0.000 0.505 267 A N -0.899 121.917 122.820 -0.006 0.000 1.795 267 A HA 0.689 5.009 4.320 -0.000 0.000 0.182 267 A C 0.421 178.000 177.584 -0.008 0.000 2.073 267 A CA 1.056 53.087 52.037 -0.010 0.000 1.402 267 A CB 0.285 19.275 19.000 -0.016 0.000 0.977 267 A HN 0.493 nan 8.150 nan 0.000 0.648 268 D N -1.132 119.264 120.400 -0.007 0.000 2.181 268 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 268 D C 1.075 177.370 176.300 -0.008 0.000 1.020 268 D CA -0.477 53.516 54.000 -0.011 0.000 0.891 268 D CB 0.859 41.652 40.800 -0.013 0.000 1.187 268 D HN 0.125 nan 8.370 nan 0.000 0.443 269 M N 2.132 121.713 119.600 -0.031 0.000 2.254 269 M HA -0.012 4.468 4.480 -0.000 0.000 0.265 269 M C 1.307 177.538 176.300 -0.114 0.000 1.066 269 M CA 1.051 56.324 55.300 -0.045 0.000 1.123 269 M CB -0.208 32.351 32.600 -0.068 0.000 1.388 269 M HN 0.504 nan 8.290 nan 0.000 0.425 270 V N -4.010 115.797 119.914 -0.179 0.000 3.398 270 V HA 0.627 4.747 4.120 -0.000 0.000 0.298 270 V C 0.340 176.402 176.094 -0.053 0.000 1.496 270 V CA -0.190 61.887 62.300 -0.373 0.000 1.044 270 V CB -0.468 30.997 31.823 -0.597 0.000 0.880 270 V HN 0.123 nan 8.190 nan 0.000 0.443 271 A N 1.923 124.753 122.820 0.017 0.000 2.386 271 A HA 0.936 5.256 4.320 -0.000 0.000 0.311 271 A C -3.016 174.596 177.584 0.047 0.000 1.068 271 A CA -1.821 50.253 52.037 0.061 0.000 0.743 271 A CB 1.458 20.475 19.000 0.029 0.000 1.258 271 A HN 0.209 nan 8.150 nan 0.000 0.429 272 P HA 0.150 nan 4.420 nan 0.000 0.275 272 P C 0.598 177.859 177.300 -0.065 0.000 1.228 272 P CA -0.039 63.031 63.100 -0.051 0.000 0.786 272 P CB 1.596 33.227 31.700 -0.115 0.000 0.927 273 S N 1.159 116.803 115.700 -0.092 0.000 2.503 273 S HA 0.179 4.649 4.470 -0.000 0.000 0.217 273 S C 1.635 176.179 174.600 -0.092 0.000 0.999 273 S CA 0.819 58.976 58.200 -0.072 0.000 0.914 273 S CB -0.931 62.233 63.200 -0.060 0.000 0.782 273 S HN 0.730 nan 8.310 nan 0.000 0.520 274 G N 1.958 110.664 108.800 -0.156 0.000 2.550 274 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.233 274 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.233 274 G C 0.951 175.770 174.900 -0.134 0.000 1.170 274 G CA 0.601 45.607 45.100 -0.157 0.000 0.693 274 G HN 0.484 nan 8.290 nan 0.000 0.512 275 E N 1.792 121.934 120.200 -0.097 0.000 2.077 275 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 275 E C 2.637 179.186 176.600 -0.085 0.000 0.989 275 E CA 2.215 58.571 56.400 -0.074 0.000 0.800 275 E CB -0.963 28.704 29.700 -0.054 0.000 0.746 275 E HN 0.642 nan 8.360 nan 0.000 0.452 276 G N 0.686 109.423 108.800 -0.105 0.000 2.408 276 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 276 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 276 G C 1.737 176.570 174.900 -0.111 0.000 1.150 276 G CA 1.197 46.240 45.100 -0.094 0.000 0.776 276 G HN 0.419 nan 8.290 nan 0.000 0.542 277 A N 0.189 122.882 122.820 -0.211 0.000 1.933 277 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 277 A C 2.590 180.143 177.584 -0.052 0.000 1.175 277 A CA 1.699 53.616 52.037 -0.201 0.000 0.628 277 A CB -0.574 18.103 19.000 -0.539 0.000 0.814 277 A HN 0.235 nan 8.150 nan 0.000 0.444 278 V N 0.025 119.894 119.914 -0.075 0.000 2.295 278 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 278 V C 2.653 178.703 176.094 -0.073 0.000 1.049 278 V CA 2.336 64.601 62.300 -0.059 0.000 1.024 278 V CB -0.777 31.010 31.823 -0.060 0.000 0.648 278 V HN 0.535 nan 8.190 nan 0.000 0.447 279 R N -1.152 119.305 120.500 -0.072 0.000 2.096 279 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 279 R C 2.397 178.636 176.300 -0.102 0.000 1.127 279 R CA 1.617 57.667 56.100 -0.084 0.000 0.968 279 R CB -0.832 29.429 30.300 -0.065 0.000 0.861 279 R HN 0.580 nan 8.270 nan 0.000 0.440 280 C N 0.730 119.995 119.300 -0.059 0.000 2.432 280 C HA -0.065 4.394 4.460 -0.000 0.000 0.277 280 C C 2.587 177.538 174.990 -0.064 0.000 1.249 280 C CA 0.863 59.854 59.018 -0.044 0.000 1.725 280 C CB -0.644 27.133 27.740 0.061 0.000 2.028 280 C HN 0.457 nan 8.230 nan 0.000 0.477 281 M N 0.105 119.688 119.600 -0.028 0.000 2.175 281 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 281 M C 2.269 178.478 176.300 -0.151 0.000 1.063 281 M CA 1.720 56.993 55.300 -0.044 0.000 1.119 281 M CB -0.457 32.148 32.600 0.008 0.000 1.377 281 M HN 0.375 nan 8.290 nan 0.000 0.415 282 K N 0.089 120.370 120.400 -0.197 0.000 2.097 282 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 282 K C 1.999 178.310 176.600 -0.481 0.000 1.049 282 K CA 1.359 57.483 56.287 -0.271 0.000 0.933 282 K CB -0.211 32.163 32.500 -0.210 0.000 0.717 282 K HN 0.351 nan 8.250 nan 0.000 0.442 283 M N 0.462 119.784 119.600 -0.465 0.000 2.117 283 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 283 M C 2.063 178.149 176.300 -0.355 0.000 1.065 283 M CA 1.657 56.606 55.300 -0.585 0.000 1.114 283 M CB -0.063 32.348 32.600 -0.315 0.000 1.361 283 M HN 0.161 nan 8.290 nan 0.000 0.408 284 A N -0.049 122.651 122.820 -0.201 0.000 2.067 284 A HA -0.084 4.235 4.320 -0.000 0.000 0.219 284 A C 1.800 179.360 177.584 -0.040 0.000 1.158 284 A CA 1.071 53.063 52.037 -0.076 0.000 0.661 284 A CB -0.395 18.590 19.000 -0.024 0.000 0.801 284 A HN 0.554 nan 8.150 nan 0.000 0.452 285 M N -0.168 119.379 119.600 -0.089 0.000 2.495 285 M HA 0.105 4.585 4.480 -0.000 0.000 0.237 285 M C -0.110 176.224 176.300 0.057 0.000 1.131 285 M CA -0.007 55.279 55.300 -0.025 0.000 1.032 285 M CB -1.218 31.334 32.600 -0.078 0.000 1.513 285 M HN 0.433 nan 8.290 nan 0.000 0.488 286 H N 0.335 119.391 119.070 -0.023 0.000 3.046 286 H HA 0.187 4.743 4.556 -0.000 0.000 0.303 286 H C 1.303 176.627 175.328 -0.006 0.000 1.002 286 H CA 0.475 56.511 56.048 -0.020 0.000 1.460 286 H CB 0.350 30.100 29.762 -0.020 0.000 1.493 286 H HN 0.616 nan 8.280 nan 0.000 0.559 287 G N 2.806 111.666 108.800 0.100 0.000 2.205 287 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 287 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 287 G C 0.223 175.152 174.900 0.048 0.000 0.980 287 G CA 0.202 45.332 45.100 0.050 0.000 0.632 287 G HN 0.533 nan 8.290 nan 0.000 0.533 288 V N 2.021 121.970 119.914 0.058 0.000 2.339 288 V HA 0.298 4.418 4.120 -0.000 0.000 0.261 288 V C 0.592 176.713 176.094 0.045 0.000 1.058 288 V CA 0.089 62.419 62.300 0.050 0.000 0.897 288 V CB 1.322 33.178 31.823 0.055 0.000 1.052 288 V HN 0.257 nan 8.190 nan 0.000 0.480 289 D N 2.281 122.704 120.400 0.037 0.000 2.339 289 D HA 0.036 4.676 4.640 -0.000 0.000 0.217 289 D C 1.173 177.496 176.300 0.039 0.000 1.050 289 D CA 0.324 54.345 54.000 0.034 0.000 0.856 289 D CB 0.616 41.430 40.800 0.024 0.000 0.922 289 D HN 0.674 nan 8.370 nan 0.000 0.518 290 T N -0.109 114.472 114.554 0.044 0.000 2.909 290 T HA 0.460 4.810 4.350 -0.000 0.000 0.286 290 T C -2.398 172.342 174.700 0.065 0.000 1.002 290 T CA -1.637 60.491 62.100 0.046 0.000 1.074 290 T CB 2.196 71.088 68.868 0.040 0.000 0.984 290 T HN -0.176 nan 8.240 nan 0.000 0.495 291 P HA 0.313 nan 4.420 nan 0.000 0.276 291 P C -0.477 176.875 177.300 0.087 0.000 1.244 291 P CA -0.730 62.425 63.100 0.092 0.000 0.801 291 P CB 0.588 32.331 31.700 0.071 0.000 1.006 292 I N 2.959 123.598 120.570 0.115 0.000 2.379 292 I HA 0.022 4.191 4.170 -0.000 0.000 0.290 292 I C 1.312 177.418 176.117 -0.017 0.000 1.063 292 I CA 0.373 61.704 61.300 0.052 0.000 1.351 292 I CB -0.031 37.993 38.000 0.040 0.000 1.410 292 I HN 0.317 nan 8.210 nan 0.000 0.505 293 D N 5.222 125.633 120.400 0.018 0.000 2.305 293 D HA -0.065 4.574 4.640 -0.000 0.000 0.206 293 D C -0.045 176.304 176.300 0.082 0.000 0.974 293 D CA 1.162 55.182 54.000 0.034 0.000 0.871 293 D CB 0.483 41.312 40.800 0.049 0.000 0.947 293 D HN 0.510 nan 8.370 nan 0.000 0.516 294 Y N 0.331 120.583 120.300 -0.081 0.000 2.482 294 Y HA 0.435 4.985 4.550 -0.000 0.000 0.334 294 Y C -2.144 173.704 175.900 -0.086 0.000 1.091 294 Y CA -1.123 56.923 58.100 -0.091 0.000 1.027 294 Y CB 1.177 39.586 38.460 -0.086 0.000 1.306 294 Y HN -0.232 nan 8.280 nan 0.000 0.446 295 L N 7.118 127.745 121.223 -0.994 0.000 2.343 295 L HA 0.509 4.849 4.340 -0.000 0.000 0.278 295 L C -1.167 175.091 176.870 -1.020 0.000 0.996 295 L CA -0.543 53.824 54.840 -0.788 0.000 0.831 295 L CB 1.001 42.806 42.059 -0.423 0.000 1.232 295 L HN 0.803 nan 8.230 nan 0.000 0.413 296 N N 3.638 121.884 118.700 -0.758 0.000 2.469 296 N HA 0.133 4.873 4.740 -0.000 0.000 0.239 296 N C -0.408 175.013 175.510 -0.148 0.000 1.053 296 N CA -0.213 52.643 53.050 -0.323 0.000 0.937 296 N CB 1.038 39.504 38.487 -0.036 0.000 1.163 296 N HN 0.722 nan 8.380 nan 0.000 0.509 297 S N 2.652 118.317 115.700 -0.059 0.000 2.600 297 S HA 0.006 4.476 4.470 -0.000 0.000 0.265 297 S C 1.332 175.927 174.600 -0.008 0.000 1.325 297 S CA -0.252 57.959 58.200 0.019 0.000 1.002 297 S CB 1.176 64.478 63.200 0.171 0.000 0.921 297 S HN 0.740 nan 8.310 nan 0.000 0.554 298 H N 2.117 121.107 119.070 -0.133 0.000 2.326 298 H HA 0.114 4.670 4.556 -0.000 0.000 0.301 298 H C 1.619 176.856 175.328 -0.151 0.000 1.081 298 H CA 1.432 57.352 56.048 -0.213 0.000 1.334 298 H CB -1.100 28.501 29.762 -0.268 0.000 1.385 298 H HN 1.042 nan 8.280 nan 0.000 0.504 299 G N 0.875 109.623 108.800 -0.087 0.000 2.088 299 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.236 299 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.236 299 G C 0.951 175.624 174.900 -0.379 0.000 0.582 299 G CA 1.000 45.953 45.100 -0.246 0.000 1.030 299 G HN 0.775 nan 8.290 nan 0.000 0.395 300 T N -1.748 112.532 114.554 -0.456 0.000 3.129 300 T HA 0.383 4.732 4.350 -0.000 0.000 0.251 300 T C 1.281 175.886 174.700 -0.158 0.000 1.117 300 T CA 0.926 62.762 62.100 -0.441 0.000 1.034 300 T CB 0.284 68.689 68.868 -0.772 0.000 0.968 300 T HN 1.679 nan 8.240 nan 0.000 0.526 301 S N 0.823 116.423 115.700 -0.166 0.000 3.807 301 S HA -0.135 4.335 4.470 -0.000 0.000 0.304 301 S C 0.236 174.845 174.600 0.016 0.000 1.152 301 S CA 0.548 58.693 58.200 -0.092 0.000 0.852 301 S CB -2.142 61.026 63.200 -0.053 0.000 0.924 301 S HN 1.225 nan 8.310 nan 0.000 0.545 302 T N -0.918 113.658 114.554 0.036 0.000 2.867 302 T HA 0.671 5.021 4.350 -0.000 0.000 0.282 302 T C -1.397 173.352 174.700 0.083 0.000 1.000 302 T CA -1.642 60.522 62.100 0.107 0.000 1.042 302 T CB 1.652 70.622 68.868 0.170 0.000 0.973 302 T HN -0.046 nan 8.240 nan 0.000 0.465 303 P HA -0.141 nan 4.420 nan 0.000 0.213 303 P C 1.699 179.045 177.300 0.077 0.000 1.176 303 P CA 0.750 63.894 63.100 0.074 0.000 0.919 303 P CB -0.050 31.691 31.700 0.069 0.000 0.791 304 V N -0.479 119.486 119.914 0.084 0.000 2.323 304 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 304 V C 2.594 178.743 176.094 0.092 0.000 1.041 304 V CA 2.427 64.774 62.300 0.079 0.000 1.025 304 V CB -1.948 29.919 31.823 0.074 0.000 0.656 304 V HN 0.189 nan 8.190 nan 0.000 0.451 305 G N -0.106 108.764 108.800 0.117 0.000 2.446 305 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 305 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 305 G C 1.199 176.188 174.900 0.149 0.000 1.168 305 G CA 1.268 46.452 45.100 0.141 0.000 0.771 305 G HN 0.495 nan 8.290 nan 0.000 0.551 306 D N 0.131 120.602 120.400 0.118 0.000 2.106 306 D HA -0.143 4.497 4.640 -0.000 0.000 0.191 306 D C 2.922 179.369 176.300 0.244 0.000 0.997 306 D CA 1.913 55.996 54.000 0.138 0.000 0.834 306 D CB -0.595 40.232 40.800 0.046 0.000 0.956 306 D HN 0.353 nan 8.370 nan 0.000 0.448 307 V N -1.222 118.797 119.914 0.176 0.000 2.667 307 V HA -0.046 4.074 4.120 -0.000 0.000 0.252 307 V C 2.139 178.294 176.094 0.102 0.000 1.065 307 V CA 1.122 63.508 62.300 0.142 0.000 1.083 307 V CB -0.496 31.386 31.823 0.099 0.000 0.692 307 V HN -0.084 nan 8.190 nan 0.000 0.468 308 K N 1.268 121.720 120.400 0.086 0.000 2.057 308 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 308 K C 2.262 178.883 176.600 0.036 0.000 1.049 308 K CA 2.031 58.341 56.287 0.038 0.000 0.931 308 K CB -0.417 32.089 32.500 0.011 0.000 0.714 308 K HN 0.731 nan 8.250 nan 0.000 0.440 309 E N -0.065 120.197 120.200 0.102 0.000 2.072 309 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 309 E C 1.872 178.565 176.600 0.155 0.000 0.985 309 E CA 0.895 57.391 56.400 0.160 0.000 0.801 309 E CB -0.051 29.861 29.700 0.354 0.000 0.750 309 E HN 0.256 nan 8.360 nan 0.000 0.452 310 L N 0.522 121.837 121.223 0.152 0.000 2.042 310 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 310 L C 2.717 179.624 176.870 0.062 0.000 1.076 310 L CA 1.125 56.017 54.840 0.087 0.000 0.749 310 L CB -0.569 41.518 42.059 0.045 0.000 0.893 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N 0.047 122.900 122.820 0.055 0.000 1.902 311 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 311 A C 2.529 180.136 177.584 0.038 0.000 1.181 311 A CA 1.766 53.825 52.037 0.036 0.000 0.623 311 A CB -0.660 18.354 19.000 0.022 0.000 0.818 311 A HN 0.415 nan 8.150 nan 0.000 0.443 312 A N -0.153 122.689 122.820 0.036 0.000 1.933 312 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 312 A C 2.110 179.747 177.584 0.088 0.000 1.175 312 A CA 1.474 53.528 52.037 0.030 0.000 0.628 312 A CB -0.582 18.414 19.000 -0.006 0.000 0.814 312 A HN 0.506 nan 8.150 nan 0.000 0.444 313 I N -0.956 119.700 120.570 0.143 0.000 2.226 313 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 313 I C 2.776 179.050 176.117 0.261 0.000 1.100 313 I CA 1.312 62.764 61.300 0.254 0.000 1.374 313 I CB -0.345 37.758 38.000 0.172 0.000 1.057 313 I HN 0.300 nan 8.210 nan 0.000 0.413 314 R N 0.354 120.934 120.500 0.134 0.000 2.091 314 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 314 R C 2.266 178.620 176.300 0.089 0.000 1.136 314 R CA 1.589 57.752 56.100 0.104 0.000 0.959 314 R CB -0.314 30.017 30.300 0.052 0.000 0.856 314 R HN 0.222 nan 8.270 nan 0.000 0.437 315 E N 0.515 120.748 120.200 0.054 0.000 2.110 315 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 315 E C 1.811 178.398 176.600 -0.021 0.000 0.988 315 E CA 1.129 57.537 56.400 0.013 0.000 0.804 315 E CB -0.001 29.696 29.700 -0.004 0.000 0.745 315 E HN 0.065 nan 8.360 nan 0.000 0.458 316 V N -0.345 119.544 119.914 -0.043 0.000 2.323 316 V HA -0.153 3.967 4.120 -0.000 0.000 0.244 316 V C 1.762 177.642 176.094 -0.356 0.000 1.041 316 V CA 1.796 63.950 62.300 -0.244 0.000 1.025 316 V CB -0.468 31.116 31.823 -0.398 0.000 0.656 316 V HN 0.236 nan 8.190 nan 0.000 0.451 317 F N -0.215 119.733 119.950 -0.004 0.000 2.714 317 F HA 0.502 5.029 4.527 -0.000 0.000 0.294 317 F C 1.844 177.642 175.800 -0.003 0.000 1.120 317 F CA 0.570 58.567 58.000 -0.004 0.000 1.398 317 F CB -0.548 38.448 39.000 -0.008 0.000 1.120 317 F HN 0.266 nan 8.300 nan 0.000 0.589 318 G N 1.051 109.943 108.800 0.154 0.000 2.622 318 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.307 318 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.307 318 G C 0.466 175.419 174.900 0.088 0.000 1.226 318 G CA 0.707 45.860 45.100 0.089 0.000 0.997 318 G HN 0.247 nan 8.290 nan 0.000 0.551 319 D N 1.109 121.547 120.400 0.063 0.000 2.338 319 D HA 0.138 4.778 4.640 -0.000 0.000 0.239 319 D C 1.482 177.814 176.300 0.054 0.000 1.095 319 D CA 0.550 54.578 54.000 0.047 0.000 0.888 319 D CB 0.292 41.111 40.800 0.032 0.000 0.899 319 D HN 0.263 nan 8.370 nan 0.000 0.525 320 K N 1.000 121.456 120.400 0.094 0.000 2.758 320 K HA 0.068 4.388 4.320 -0.000 0.000 0.208 320 K C -0.360 176.291 176.600 0.085 0.000 1.091 320 K CA -0.155 56.192 56.287 0.100 0.000 1.059 320 K CB 0.279 32.864 32.500 0.141 0.000 0.801 320 K HN 0.040 nan 8.250 nan 0.000 0.470 321 S N 2.002 117.718 115.700 0.027 0.000 2.546 321 S HA 0.196 4.666 4.470 -0.000 0.000 0.290 321 S C -1.780 172.675 174.600 -0.242 0.000 1.290 321 S CA -0.850 57.270 58.200 -0.133 0.000 1.069 321 S CB 0.275 63.428 63.200 -0.077 0.000 0.846 321 S HN 0.162 nan 8.310 nan 0.000 0.495 322 P HA 0.356 nan 4.420 nan 0.000 0.277 322 P C -0.432 176.741 177.300 -0.210 0.000 1.271 322 P CA -0.663 62.234 63.100 -0.338 0.000 0.795 322 P CB 0.527 31.921 31.700 -0.510 0.000 1.101 323 A N 1.057 123.818 122.820 -0.098 0.000 2.477 323 A HA 0.411 4.731 4.320 -0.000 0.000 0.246 323 A C 0.284 177.858 177.584 -0.016 0.000 1.078 323 A CA -0.009 52.023 52.037 -0.007 0.000 0.770 323 A CB -0.794 18.258 19.000 0.088 0.000 1.011 323 A HN 0.455 nan 8.150 nan 0.000 0.494 324 I N 1.652 122.215 120.570 -0.012 0.000 2.608 324 I HA 0.544 4.714 4.170 -0.000 0.000 0.295 324 I C 0.090 176.279 176.117 0.120 0.000 1.049 324 I CA -0.222 61.054 61.300 -0.040 0.000 1.063 324 I CB 2.527 40.454 38.000 -0.122 0.000 1.248 324 I HN 0.769 nan 8.210 nan 0.000 0.424 325 S N 3.825 119.651 115.700 0.210 0.000 2.537 325 S HA 0.843 5.313 4.470 -0.000 0.000 0.270 325 S C -1.110 173.638 174.600 0.245 0.000 1.142 325 S CA -0.774 57.592 58.200 0.277 0.000 0.870 325 S CB 1.989 65.372 63.200 0.305 0.000 1.112 325 S HN 0.790 nan 8.310 nan 0.000 0.466 326 A N 2.252 125.202 122.820 0.216 0.000 2.322 326 A HA 0.595 4.915 4.320 -0.000 0.000 0.327 326 A C 1.165 178.777 177.584 0.047 0.000 1.394 326 A CA -0.210 51.881 52.037 0.091 0.000 0.921 326 A CB -0.091 18.872 19.000 -0.061 0.000 1.153 326 A HN 1.360 nan 8.150 nan 0.000 0.523 327 T N -0.239 114.356 114.554 0.067 0.000 3.007 327 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 327 T C 1.713 176.402 174.700 -0.019 0.000 1.107 327 T CA 1.362 63.468 62.100 0.010 0.000 1.118 327 T CB -0.233 68.646 68.868 0.019 0.000 0.889 327 T HN 0.856 nan 8.240 nan 0.000 0.506 328 A N 1.584 124.398 122.820 -0.011 0.000 2.070 328 A HA 0.318 4.638 4.320 -0.000 0.000 0.220 328 A C 2.729 180.291 177.584 -0.036 0.000 1.159 328 A CA 1.462 53.485 52.037 -0.024 0.000 0.656 328 A CB -1.185 17.762 19.000 -0.088 0.000 0.800 328 A HN 0.718 nan 8.150 nan 0.000 0.453 329 A N -0.762 122.025 122.820 -0.055 0.000 2.019 329 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 329 A C 2.176 179.738 177.584 -0.038 0.000 1.164 329 A CA 1.745 53.750 52.037 -0.053 0.000 0.644 329 A CB -0.397 18.572 19.000 -0.050 0.000 0.805 329 A HN 0.560 nan 8.150 nan 0.000 0.449 330 M N -1.197 118.377 119.600 -0.044 0.000 2.412 330 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 330 M C 2.345 178.620 176.300 -0.042 0.000 1.122 330 M CA 1.700 56.969 55.300 -0.052 0.000 1.179 330 M CB -0.161 32.386 32.600 -0.090 0.000 1.335 330 M HN 0.582 nan 8.290 nan 0.000 0.465 331 T N -2.193 112.334 114.554 -0.046 0.000 3.054 331 T HA 0.410 4.760 4.350 -0.000 0.000 0.259 331 T C 1.030 175.745 174.700 0.025 0.000 1.092 331 T CA 0.448 62.539 62.100 -0.015 0.000 1.121 331 T CB -0.151 68.724 68.868 0.011 0.000 0.912 331 T HN 0.564 nan 8.240 nan 0.000 0.489 332 G N 0.940 109.766 108.800 0.042 0.000 2.757 332 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.638 332 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.638 332 G C -0.864 174.097 174.900 0.103 0.000 1.344 332 G CA -0.357 44.798 45.100 0.091 0.000 0.855 332 G HN 0.919 nan 8.290 nan 0.000 0.537 333 H N 0.040 119.112 119.070 0.003 0.000 2.581 333 H HA 0.617 5.173 4.556 -0.000 0.000 0.308 333 H C 1.446 176.692 175.328 -0.136 0.000 1.040 333 H CA 0.304 56.260 56.048 -0.153 0.000 1.231 333 H CB 0.861 30.377 29.762 -0.411 0.000 1.396 333 H HN 0.905 nan 8.280 nan 0.000 0.467 334 S N 5.240 120.691 115.700 -0.414 0.000 2.743 334 S HA 0.134 4.604 4.470 -0.000 0.000 0.230 334 S C 1.068 175.366 174.600 -0.503 0.000 0.950 334 S CA 0.003 57.985 58.200 -0.363 0.000 0.976 334 S CB -0.977 62.098 63.200 -0.209 0.000 0.779 334 S HN 0.765 nan 8.310 nan 0.000 0.487 335 L N -0.192 120.424 121.223 -1.012 0.000 5.352 335 L HA -0.357 3.983 4.340 -0.000 0.000 0.053 335 L C 2.282 178.953 176.870 -0.333 0.000 2.872 335 L CA 1.446 55.866 54.840 -0.699 0.000 1.575 335 L CB -2.061 39.783 42.059 -0.358 0.000 2.871 335 L HN 0.435 nan 8.230 nan 0.000 0.934 336 G N -1.078 107.627 108.800 -0.159 0.000 2.462 336 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 336 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 336 G C 1.295 176.145 174.900 -0.083 0.000 1.121 336 G CA 1.349 46.406 45.100 -0.071 0.000 0.758 336 G HN 0.871 nan 8.290 nan 0.000 0.559 337 A N 0.398 123.147 122.820 -0.119 0.000 2.178 337 A HA 0.624 4.944 4.320 -0.000 0.000 0.211 337 A C 2.594 180.087 177.584 -0.152 0.000 1.157 337 A CA 1.317 53.286 52.037 -0.113 0.000 0.780 337 A CB -0.260 18.680 19.000 -0.099 0.000 0.828 337 A HN 0.555 nan 8.150 nan 0.000 0.476 338 A N 0.193 122.905 122.820 -0.180 0.000 1.908 338 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 338 A C 2.365 179.872 177.584 -0.129 0.000 1.181 338 A CA 2.007 53.956 52.037 -0.146 0.000 0.627 338 A CB -1.373 17.561 19.000 -0.110 0.000 0.818 338 A HN 0.693 nan 8.150 nan 0.000 0.445 339 G N -0.851 107.881 108.800 -0.114 0.000 2.491 339 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 339 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 339 G C 1.672 176.477 174.900 -0.158 0.000 1.180 339 G CA 1.457 46.481 45.100 -0.126 0.000 0.774 339 G HN 0.658 nan 8.290 nan 0.000 0.562 340 V N 0.186 120.003 119.914 -0.161 0.000 2.453 340 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 340 V C 2.753 178.680 176.094 -0.278 0.000 1.048 340 V CA 2.508 64.697 62.300 -0.186 0.000 1.049 340 V CB -0.264 31.470 31.823 -0.148 0.000 0.672 340 V HN 0.531 nan 8.190 nan 0.000 0.457 341 Q N -0.450 119.149 119.800 -0.335 0.000 2.084 341 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 341 Q C 2.172 177.573 176.000 -0.999 0.000 0.978 341 Q CA 2.122 57.560 55.803 -0.609 0.000 0.844 341 Q CB -0.131 28.313 28.738 -0.489 0.000 0.898 341 Q HN 0.708 nan 8.270 nan 0.000 0.426 342 E N 0.346 120.216 120.200 -0.550 0.000 2.152 342 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 342 E C 1.863 178.344 176.600 -0.199 0.000 0.983 342 E CA 0.737 56.953 56.400 -0.307 0.000 0.818 342 E CB -0.004 29.655 29.700 -0.067 0.000 0.758 342 E HN 0.339 nan 8.360 nan 0.000 0.467 343 A N 0.842 123.534 122.820 -0.215 0.000 1.930 343 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 343 A C 2.112 179.599 177.584 -0.162 0.000 1.175 343 A CA 0.907 52.857 52.037 -0.146 0.000 0.627 343 A CB -0.429 18.483 19.000 -0.147 0.000 0.815 343 A HN 0.149 nan 8.150 nan 0.000 0.443 344 I N -1.434 118.976 120.570 -0.266 0.000 2.252 344 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 344 I C 2.283 178.349 176.117 -0.086 0.000 1.102 344 I CA 1.181 62.341 61.300 -0.234 0.000 1.385 344 I CB -0.415 37.415 38.000 -0.284 0.000 1.064 344 I HN 0.374 nan 8.210 nan 0.000 0.414 345 Y N 0.772 121.052 120.300 -0.034 0.000 2.165 345 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 345 Y C 2.936 178.820 175.900 -0.028 0.000 1.155 345 Y CA 0.870 58.963 58.100 -0.011 0.000 1.164 345 Y CB -1.392 37.072 38.460 0.007 0.000 0.978 345 Y HN 0.107 nan 8.280 nan 0.000 0.513 346 S N 0.032 115.818 115.700 0.143 0.000 2.382 346 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 346 S C 2.156 176.779 174.600 0.038 0.000 1.027 346 S CA 1.059 59.333 58.200 0.123 0.000 0.991 346 S CB -0.585 62.693 63.200 0.130 0.000 0.823 346 S HN 0.357 nan 8.310 nan 0.000 0.469 347 L N 0.882 122.108 121.223 0.006 0.000 2.141 347 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 347 L C 2.138 179.048 176.870 0.066 0.000 1.094 347 L CA 0.873 55.711 54.840 -0.003 0.000 0.763 347 L CB -0.467 41.513 42.059 -0.131 0.000 0.908 347 L HN 0.292 nan 8.230 nan 0.000 0.437 348 L N -1.168 120.113 121.223 0.097 0.000 2.109 348 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 348 L C 2.600 179.597 176.870 0.210 0.000 1.086 348 L CA 1.155 56.159 54.840 0.272 0.000 0.760 348 L CB -0.297 41.945 42.059 0.304 0.000 0.910 348 L HN 0.298 nan 8.230 nan 0.000 0.437 349 M N -0.853 118.655 119.600 -0.154 0.000 2.175 349 M HA -0.217 4.263 4.480 -0.000 0.000 0.264 349 M C 2.269 178.419 176.300 -0.251 0.000 1.063 349 M CA 1.539 56.456 55.300 -0.638 0.000 1.119 349 M CB -0.239 31.855 32.600 -0.842 0.000 1.377 349 M HN 0.213 nan 8.290 nan 0.000 0.415 350 L N 0.517 121.687 121.223 -0.088 0.000 2.056 350 L HA -0.153 4.186 4.340 -0.000 0.000 0.207 350 L C 2.237 179.116 176.870 0.015 0.000 1.078 350 L CA 1.978 56.808 54.840 -0.017 0.000 0.749 350 L CB -0.556 41.518 42.059 0.025 0.000 0.901 350 L HN 0.203 nan 8.230 nan 0.000 0.433 351 E N -1.190 119.037 120.200 0.045 0.000 2.072 351 E HA -0.207 4.142 4.350 -0.000 0.000 0.191 351 E C 1.805 178.276 176.600 -0.214 0.000 0.985 351 E CA 1.564 57.936 56.400 -0.047 0.000 0.801 351 E CB -0.134 29.580 29.700 0.023 0.000 0.750 351 E HN 0.626 nan 8.360 nan 0.000 0.452 352 H N -1.170 118.015 119.070 0.191 0.000 2.551 352 H HA 0.275 4.831 4.556 -0.000 0.000 0.271 352 H C 0.555 176.037 175.328 0.257 0.000 0.984 352 H CA 0.562 56.754 56.048 0.239 0.000 1.164 352 H CB 0.516 30.482 29.762 0.339 0.000 1.437 352 H HN 0.284 nan 8.280 nan 0.000 0.550 353 G N 1.990 110.915 108.800 0.209 0.000 2.359 353 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.298 353 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.298 353 G C -0.239 174.793 174.900 0.220 0.000 1.030 353 G CA 0.732 45.915 45.100 0.139 0.000 1.149 353 G HN 0.518 nan 8.290 nan 0.000 0.512 354 F N -1.753 118.184 119.950 -0.022 0.000 2.713 354 F HA 0.810 5.337 4.527 -0.000 0.000 0.311 354 F C -0.883 174.822 175.800 -0.159 0.000 1.141 354 F CA -2.255 55.708 58.000 -0.062 0.000 0.939 354 F CB 1.174 40.151 39.000 -0.038 0.000 1.325 354 F HN 0.067 nan 8.300 nan 0.000 0.453 355 I N 2.783 123.228 120.570 -0.207 0.000 2.389 355 I HA 0.607 4.777 4.170 -0.000 0.000 0.288 355 I C 0.124 176.154 176.117 -0.146 0.000 0.999 355 I CA -1.099 59.922 61.300 -0.464 0.000 1.129 355 I CB 1.670 39.493 38.000 -0.295 0.000 1.288 355 I HN 0.973 nan 8.210 nan 0.000 0.444 356 A N 9.319 131.984 122.820 -0.259 0.000 2.462 356 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 356 A C -2.320 175.280 177.584 0.027 0.000 1.076 356 A CA -0.981 51.087 52.037 0.050 0.000 0.773 356 A CB -0.344 18.663 19.000 0.011 0.000 1.010 356 A HN 0.431 nan 8.150 nan 0.000 0.493 357 P HA 0.126 nan 4.420 nan 0.000 0.277 357 P C -0.356 176.979 177.300 0.059 0.000 1.240 357 P CA -0.214 62.917 63.100 0.052 0.000 0.798 357 P CB 1.195 32.918 31.700 0.038 0.000 0.979 358 S N 2.549 118.299 115.700 0.084 0.000 2.415 358 S HA 0.372 4.841 4.470 -0.000 0.000 0.313 358 S C 0.620 175.262 174.600 0.070 0.000 1.067 358 S CA -0.818 57.444 58.200 0.104 0.000 1.099 358 S CB -1.289 62.026 63.200 0.191 0.000 0.991 358 S HN 0.339 nan 8.310 nan 0.000 0.491 359 I N 2.053 122.643 120.570 0.032 0.000 3.110 359 I HA 0.496 4.666 4.170 -0.000 0.000 0.314 359 I C 0.401 176.520 176.117 0.003 0.000 1.020 359 I CA -0.628 60.680 61.300 0.014 0.000 1.169 359 I CB 0.316 38.313 38.000 -0.005 0.000 1.437 359 I HN 0.518 nan 8.210 nan 0.000 0.595 360 N N 0.798 119.493 118.700 -0.008 0.000 2.741 360 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 360 N C -0.500 175.006 175.510 -0.007 0.000 1.112 360 N CA 0.972 54.005 53.050 -0.028 0.000 0.750 360 N CB -1.517 36.926 38.487 -0.074 0.000 1.119 360 N HN 0.609 nan 8.380 nan 0.000 0.561 361 I N 1.369 121.956 120.570 0.029 0.000 2.256 361 I HA 0.039 4.209 4.170 -0.000 0.000 0.294 361 I C 1.382 177.530 176.117 0.051 0.000 1.127 361 I CA -0.015 61.320 61.300 0.059 0.000 1.247 361 I CB 0.295 38.350 38.000 0.092 0.000 1.460 361 I HN 0.030 nan 8.210 nan 0.000 0.511 362 E N 3.744 123.974 120.200 0.050 0.000 2.230 362 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 362 E C 0.499 177.140 176.600 0.069 0.000 0.987 362 E CA 0.550 56.977 56.400 0.045 0.000 0.841 362 E CB 0.459 30.175 29.700 0.027 0.000 0.783 362 E HN 0.520 nan 8.360 nan 0.000 0.481 363 E N 1.169 121.432 120.200 0.104 0.000 2.432 363 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 363 E C -1.447 175.219 176.600 0.110 0.000 0.937 363 E CA -0.560 55.910 56.400 0.116 0.000 0.812 363 E CB 0.959 30.767 29.700 0.180 0.000 1.377 363 E HN -0.065 nan 8.360 nan 0.000 0.399 364 L N 4.073 125.345 121.223 0.082 0.000 2.540 364 L HA 0.085 4.425 4.340 -0.000 0.000 0.276 364 L C 0.233 177.145 176.870 0.071 0.000 1.212 364 L CA 0.623 55.510 54.840 0.079 0.000 0.893 364 L CB 0.575 42.663 42.059 0.048 0.000 1.138 364 L HN 0.566 nan 8.230 nan 0.000 0.491 365 D N 3.739 124.191 120.400 0.087 0.000 2.488 365 D HA -0.079 4.560 4.640 -0.000 0.000 0.238 365 D C 0.780 177.105 176.300 0.042 0.000 1.138 365 D CA 0.264 54.304 54.000 0.066 0.000 0.873 365 D CB 0.838 41.696 40.800 0.097 0.000 1.183 365 D HN 0.705 nan 8.370 nan 0.000 0.458 366 E N 2.032 122.249 120.200 0.029 0.000 2.209 366 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 366 E C 1.434 178.044 176.600 0.017 0.000 0.993 366 E CA 0.845 57.257 56.400 0.020 0.000 0.819 366 E CB 0.117 29.826 29.700 0.016 0.000 0.745 366 E HN 0.579 nan 8.360 nan 0.000 0.477 367 Q N -0.548 119.267 119.800 0.024 0.000 2.482 367 Q HA 0.059 4.399 4.340 -0.000 0.000 0.209 367 Q C 1.373 177.378 176.000 0.007 0.000 0.961 367 Q CA 0.449 56.265 55.803 0.021 0.000 0.945 367 Q CB 0.402 29.160 28.738 0.035 0.000 1.012 367 Q HN 0.158 nan 8.270 nan 0.000 0.515 368 A N 0.332 123.149 122.820 -0.004 0.000 2.348 368 A HA 0.430 4.750 4.320 -0.000 0.000 0.224 368 A C 0.814 178.364 177.584 -0.056 0.000 1.227 368 A CA -0.085 51.917 52.037 -0.059 0.000 0.885 368 A CB 0.233 19.176 19.000 -0.095 0.000 0.933 368 A HN 0.246 nan 8.150 nan 0.000 0.506 369 A N -0.759 122.046 122.820 -0.025 0.000 2.498 369 A HA 0.458 4.778 4.320 -0.000 0.000 0.239 369 A C 1.537 179.107 177.584 -0.024 0.000 1.068 369 A CA 0.616 52.641 52.037 -0.019 0.000 0.766 369 A CB -0.490 18.507 19.000 -0.005 0.000 1.003 369 A HN 1.907 nan 8.150 nan 0.000 0.497 370 G N 0.580 109.366 108.800 -0.024 0.000 2.157 370 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 370 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 370 G C -0.062 174.818 174.900 -0.034 0.000 0.979 370 G CA 0.427 45.514 45.100 -0.021 0.000 0.650 370 G HN 0.786 nan 8.290 nan 0.000 0.529 371 L N -0.441 120.749 121.223 -0.055 0.000 2.313 371 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 371 L C 0.717 177.540 176.870 -0.079 0.000 1.010 371 L CA -0.892 53.900 54.840 -0.080 0.000 0.814 371 L CB 1.727 43.710 42.059 -0.127 0.000 1.304 371 L HN 0.179 nan 8.230 nan 0.000 0.441 372 N N 1.726 120.376 118.700 -0.084 0.000 3.322 372 N HA 0.309 5.049 4.740 -0.000 0.000 0.290 372 N C -0.821 174.649 175.510 -0.066 0.000 1.297 372 N CA -0.346 52.667 53.050 -0.062 0.000 1.167 372 N CB 0.215 38.670 38.487 -0.053 0.000 1.434 372 N HN 0.441 nan 8.380 nan 0.000 0.526 373 I N 2.423 122.944 120.570 -0.082 0.000 2.322 373 I HA 0.079 4.249 4.170 -0.000 0.000 0.292 373 I C 0.176 176.293 176.117 -0.001 0.000 1.060 373 I CA -0.614 60.643 61.300 -0.073 0.000 1.309 373 I CB 1.271 39.180 38.000 -0.151 0.000 1.415 373 I HN 0.021 nan 8.210 nan 0.000 0.492 374 V N 6.108 126.046 119.914 0.041 0.000 2.470 374 V HA 0.045 4.165 4.120 -0.000 0.000 0.276 374 V C 1.236 177.366 176.094 0.060 0.000 1.040 374 V CA 0.130 62.460 62.300 0.051 0.000 1.008 374 V CB 0.841 32.703 31.823 0.064 0.000 0.990 374 V HN 0.916 nan 8.190 nan 0.000 0.477 375 T N 0.389 114.970 114.554 0.045 0.000 3.044 375 T HA 0.327 4.677 4.350 -0.000 0.000 0.260 375 T C 0.235 174.955 174.700 0.034 0.000 1.019 375 T CA -0.252 61.875 62.100 0.046 0.000 0.921 375 T CB 0.283 69.175 68.868 0.041 0.000 1.053 375 T HN 0.541 nan 8.240 nan 0.000 0.533 376 E N 1.479 121.698 120.200 0.032 0.000 2.308 376 E HA 0.329 4.679 4.350 -0.000 0.000 0.275 376 E C -0.923 175.698 176.600 0.034 0.000 0.890 376 E CA -0.545 55.870 56.400 0.025 0.000 0.754 376 E CB 1.942 31.653 29.700 0.018 0.000 1.207 376 E HN 0.083 nan 8.360 nan 0.000 0.426 377 T N 2.349 116.924 114.554 0.035 0.000 2.866 377 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 377 T C -0.112 174.624 174.700 0.060 0.000 1.005 377 T CA 0.713 62.852 62.100 0.065 0.000 1.162 377 T CB 0.011 68.894 68.868 0.024 0.000 0.968 377 T HN 0.240 nan 8.240 nan 0.000 0.530 378 T N 4.206 118.814 114.554 0.089 0.000 2.840 378 T HA 0.233 4.583 4.350 -0.000 0.000 0.287 378 T C -0.474 174.283 174.700 0.095 0.000 0.991 378 T CA -0.933 61.205 62.100 0.064 0.000 0.964 378 T CB 1.142 70.031 68.868 0.035 0.000 0.954 378 T HN 0.448 nan 8.240 nan 0.000 0.438 379 D N 2.950 123.399 120.400 0.082 0.000 2.390 379 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 379 D C 0.344 176.683 176.300 0.065 0.000 1.144 379 D CA 0.194 54.254 54.000 0.099 0.000 0.880 379 D CB 1.056 41.895 40.800 0.066 0.000 1.182 379 D HN 0.403 nan 8.370 nan 0.000 0.451 380 R N 1.395 121.933 120.500 0.064 0.000 2.604 380 R HA 0.071 4.411 4.340 -0.000 0.000 0.261 380 R C -1.186 175.131 176.300 0.028 0.000 1.080 380 R CA -0.624 55.495 56.100 0.033 0.000 0.917 380 R CB 1.436 31.744 30.300 0.013 0.000 1.252 380 R HN 0.330 nan 8.270 nan 0.000 0.456 381 E N 5.700 125.914 120.200 0.025 0.000 1.858 381 E HA 0.132 4.482 4.350 -0.000 0.000 0.267 381 E C -0.700 175.909 176.600 0.015 0.000 1.215 381 E CA -0.210 56.203 56.400 0.022 0.000 0.952 381 E CB 0.327 30.039 29.700 0.020 0.000 1.058 381 E HN 0.363 nan 8.360 nan 0.000 0.407 382 L N 3.421 124.648 121.223 0.007 0.000 2.375 382 L HA 0.250 4.590 4.340 -0.000 0.000 0.271 382 L C 1.027 177.907 176.870 0.017 0.000 1.107 382 L CA -0.368 54.478 54.840 0.010 0.000 0.806 382 L CB 1.462 43.516 42.059 -0.007 0.000 1.146 382 L HN 0.502 nan 8.230 nan 0.000 0.447 383 T N -1.350 113.219 114.554 0.025 0.000 3.115 383 T HA 0.088 4.438 4.350 -0.000 0.000 0.256 383 T C 0.256 174.975 174.700 0.031 0.000 0.970 383 T CA 0.276 62.391 62.100 0.024 0.000 1.010 383 T CB 0.688 69.570 68.868 0.022 0.000 1.151 383 T HN 0.616 nan 8.240 nan 0.000 0.479 384 T N 2.862 117.441 114.554 0.041 0.000 2.848 384 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 384 T C -0.770 173.964 174.700 0.057 0.000 0.995 384 T CA -0.702 61.426 62.100 0.047 0.000 0.970 384 T CB 2.083 70.981 68.868 0.050 0.000 0.976 384 T HN 0.222 nan 8.240 nan 0.000 0.441 385 V N 0.904 120.852 119.914 0.057 0.000 3.001 385 V HA 0.874 4.993 4.120 -0.000 0.000 0.314 385 V C -0.729 175.375 176.094 0.017 0.000 1.099 385 V CA -1.239 61.097 62.300 0.060 0.000 0.989 385 V CB 2.206 34.111 31.823 0.136 0.000 1.040 385 V HN 0.984 nan 8.190 nan 0.000 0.434 386 M N 2.837 122.408 119.600 -0.048 0.000 2.457 386 M HA 0.756 5.236 4.480 -0.000 0.000 0.300 386 M C -1.089 175.145 176.300 -0.110 0.000 1.141 386 M CA -0.275 54.999 55.300 -0.043 0.000 0.901 386 M CB 2.207 34.812 32.600 0.010 0.000 1.687 386 M HN 1.016 nan 8.290 nan 0.000 0.449 387 S N 3.248 118.902 115.700 -0.077 0.000 2.594 387 S HA 0.606 5.076 4.470 -0.000 0.000 0.296 387 S C -1.496 173.025 174.600 -0.132 0.000 1.124 387 S CA -0.768 57.369 58.200 -0.105 0.000 1.011 387 S CB 1.087 64.240 63.200 -0.079 0.000 1.016 387 S HN 0.850 nan 8.310 nan 0.000 0.485 388 N N 2.061 120.642 118.700 -0.198 0.000 2.417 388 N HA 0.590 5.330 4.740 -0.000 0.000 0.300 388 N C -1.330 173.848 175.510 -0.554 0.000 1.102 388 N CA -0.464 52.342 53.050 -0.407 0.000 0.886 388 N CB 1.881 40.064 38.487 -0.508 0.000 1.203 388 N HN 0.496 nan 8.380 nan 0.000 0.496 389 S N 1.221 116.464 115.700 -0.762 0.000 2.677 389 S HA 0.582 5.052 4.470 -0.000 0.000 0.283 389 S C -1.354 172.796 174.600 -0.749 0.000 1.159 389 S CA -0.609 57.250 58.200 -0.569 0.000 1.001 389 S CB 0.457 63.494 63.200 -0.271 0.000 1.032 389 S HN 0.289 nan 8.310 nan 0.000 0.487 390 F N 1.181 120.776 119.950 -0.592 0.000 2.520 390 F HA 0.826 5.353 4.527 -0.000 0.000 0.322 390 F C 0.740 176.302 175.800 -0.396 0.000 1.103 390 F CA -0.881 56.815 58.000 -0.508 0.000 0.926 390 F CB 1.875 40.532 39.000 -0.572 0.000 1.154 390 F HN 0.663 nan 8.300 nan 0.000 0.453 391 G N 1.261 110.103 108.800 0.069 0.000 2.630 391 G HA2 0.584 4.544 3.960 -0.000 0.000 0.296 391 G HA3 0.584 4.544 3.960 -0.000 0.000 0.296 391 G C -1.078 173.959 174.900 0.228 0.000 1.285 391 G CA -0.863 44.282 45.100 0.076 0.000 0.958 391 G HN 0.470 nan 8.290 nan 0.000 0.479 392 F N -0.074 119.968 119.950 0.154 0.000 2.589 392 F HA 0.286 4.813 4.527 -0.000 0.000 0.352 392 F C 1.709 177.568 175.800 0.099 0.000 1.168 392 F CA 1.249 59.328 58.000 0.132 0.000 1.353 392 F CB 0.850 39.944 39.000 0.155 0.000 1.116 392 F HN 0.857 nan 8.300 nan 0.000 0.608 393 G N 0.859 109.817 108.800 0.264 0.000 2.157 393 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.248 393 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.248 393 G C 0.665 175.635 174.900 0.117 0.000 0.979 393 G CA 0.126 45.316 45.100 0.150 0.000 0.650 393 G HN 1.786 nan 8.290 nan 0.000 0.529 394 G N -1.072 107.805 108.800 0.129 0.000 2.295 394 G HA2 0.079 4.039 3.960 -0.000 0.000 0.287 394 G HA3 0.079 4.039 3.960 -0.000 0.000 0.287 394 G C 0.342 175.296 174.900 0.090 0.000 1.055 394 G CA 1.372 46.520 45.100 0.079 0.000 0.922 394 G HN 1.948 nan 8.290 nan 0.000 0.503 395 T N 0.344 114.984 114.554 0.143 0.000 2.795 395 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 395 T C -0.044 174.799 174.700 0.239 0.000 0.980 395 T CA -0.621 61.593 62.100 0.190 0.000 1.012 395 T CB 0.387 69.391 68.868 0.227 0.000 0.936 395 T HN 0.333 nan 8.240 nan 0.000 0.457 396 N N 2.837 121.693 118.700 0.260 0.000 2.238 396 N HA 0.701 5.441 4.740 -0.000 0.000 0.302 396 N C -1.318 174.291 175.510 0.165 0.000 1.072 396 N CA -0.633 52.592 53.050 0.291 0.000 0.792 396 N CB 2.152 40.800 38.487 0.267 0.000 1.425 396 N HN 0.743 nan 8.380 nan 0.000 0.478 397 A N 0.755 123.554 122.820 -0.033 0.000 2.449 397 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 397 A C -0.813 176.710 177.584 -0.102 0.000 1.048 397 A CA -0.475 51.465 52.037 -0.162 0.000 0.708 397 A CB 1.448 20.112 19.000 -0.559 0.000 1.274 397 A HN 0.453 nan 8.150 nan 0.000 0.410 398 T N 2.029 116.577 114.554 -0.010 0.000 2.916 398 T HA 0.612 4.962 4.350 -0.000 0.000 0.298 398 T C -0.982 173.765 174.700 0.078 0.000 1.031 398 T CA -0.252 61.845 62.100 -0.005 0.000 0.993 398 T CB 0.978 69.853 68.868 0.012 0.000 1.045 398 T HN 0.510 nan 8.240 nan 0.000 0.454 399 L N 2.560 123.806 121.223 0.037 0.000 2.365 399 L HA 0.794 5.134 4.340 -0.000 0.000 0.273 399 L C -0.891 175.998 176.870 0.031 0.000 1.000 399 L CA -1.123 53.752 54.840 0.057 0.000 0.819 399 L CB 2.129 44.190 42.059 0.004 0.000 1.284 399 L HN 0.336 nan 8.230 nan 0.000 0.418 400 V N 3.747 123.689 119.914 0.046 0.000 2.487 400 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 400 V C -0.203 175.910 176.094 0.032 0.000 1.028 400 V CA -0.364 61.960 62.300 0.040 0.000 0.860 400 V CB 1.852 33.706 31.823 0.053 0.000 0.991 400 V HN 0.709 nan 8.190 nan 0.000 0.427 401 M N 4.995 124.610 119.600 0.026 0.000 2.393 401 M HA 0.660 5.140 4.480 -0.000 0.000 0.316 401 M C -0.535 175.781 176.300 0.028 0.000 1.087 401 M CA -0.386 54.927 55.300 0.020 0.000 0.937 401 M CB 2.508 35.115 32.600 0.012 0.000 1.668 401 M HN 0.557 nan 8.290 nan 0.000 0.438 402 R N 1.568 122.081 120.500 0.022 0.000 2.628 402 R HA 0.446 4.786 4.340 -0.000 0.000 0.288 402 R C -1.142 175.165 176.300 0.012 0.000 0.980 402 R CA -0.779 55.334 56.100 0.022 0.000 0.891 402 R CB 1.905 32.218 30.300 0.023 0.000 1.188 402 R HN 0.640 nan 8.270 nan 0.000 0.450 403 K N 3.349 123.756 120.400 0.011 0.000 2.382 403 K HA 0.140 4.460 4.320 -0.000 0.000 0.275 403 K C -0.257 176.336 176.600 -0.011 0.000 1.009 403 K CA 0.012 56.297 56.287 -0.002 0.000 0.970 403 K CB 0.585 33.085 32.500 -0.000 0.000 0.934 403 K HN 0.457 nan 8.250 nan 0.000 0.479 404 L N 3.414 124.620 121.223 -0.028 0.000 2.421 404 L HA 0.205 4.545 4.340 -0.000 0.000 0.263 404 L C 0.103 176.958 176.870 -0.025 0.000 1.122 404 L CA -0.769 54.054 54.840 -0.028 0.000 0.804 404 L CB 0.894 42.928 42.059 -0.043 0.000 1.150 404 L HN 0.533 nan 8.230 nan 0.000 0.457 405 K N 1.006 121.395 120.400 -0.019 0.000 2.380 405 K HA 0.134 4.454 4.320 -0.000 0.000 0.267 405 K C -0.244 176.346 176.600 -0.017 0.000 0.990 405 K CA -0.226 56.052 56.287 -0.015 0.000 0.946 405 K CB 0.110 32.605 32.500 -0.010 0.000 0.937 405 K HN 0.565 nan 8.250 nan 0.000 0.491 406 D N 0.000 120.393 120.400 -0.012 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.993 54.000 -0.011 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