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 1ek4_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 2.265 122.670 120.400 0.008 0.000 2.355 2 K HA 0.361 4.681 4.320 -0.000 0.000 0.270 2 K C -0.488 176.113 176.600 0.002 0.000 1.003 2 K CA 0.333 56.622 56.287 0.003 0.000 0.957 2 K CB 0.472 32.971 32.500 -0.002 0.000 0.939 2 K HN 0.277 nan 8.250 nan 0.000 0.482 3 R N 0.793 121.292 120.500 -0.001 0.000 2.457 3 R HA 0.485 4.825 4.340 -0.000 0.000 0.284 3 R C -0.794 175.498 176.300 -0.014 0.000 1.024 3 R CA -0.865 55.233 56.100 -0.004 0.000 1.025 3 R CB 1.168 31.466 30.300 -0.004 0.000 1.063 3 R HN 0.210 nan 8.270 nan 0.000 0.493 4 V N 3.080 122.983 119.914 -0.018 0.000 2.540 4 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 4 V C -0.133 175.939 176.094 -0.037 0.000 1.035 4 V CA -0.764 61.515 62.300 -0.035 0.000 0.873 4 V CB 1.705 33.502 31.823 -0.043 0.000 0.992 4 V HN 0.632 nan 8.190 nan 0.000 0.428 5 V N 2.099 121.986 119.914 -0.046 0.000 3.141 5 V HA 0.700 4.820 4.120 -0.000 0.000 0.312 5 V C -0.690 175.373 176.094 -0.051 0.000 1.157 5 V CA -0.990 61.285 62.300 -0.042 0.000 1.041 5 V CB 2.396 34.195 31.823 -0.039 0.000 1.071 5 V HN 0.658 nan 8.190 nan 0.000 0.441 6 I N 2.050 122.604 120.570 -0.026 0.000 2.339 6 I HA 0.441 4.611 4.170 -0.000 0.000 0.290 6 I C 0.900 177.061 176.117 0.074 0.000 0.994 6 I CA -0.061 61.231 61.300 -0.013 0.000 1.191 6 I CB 2.123 40.104 38.000 -0.031 0.000 1.343 6 I HN 0.981 nan 8.210 nan 0.000 0.458 7 T N 0.748 115.333 114.554 0.052 0.000 3.085 7 T HA 0.480 4.830 4.350 -0.000 0.000 0.264 7 T C 0.361 175.181 174.700 0.199 0.000 1.019 7 T CA -0.425 61.730 62.100 0.091 0.000 0.910 7 T CB 0.390 69.263 68.868 0.009 0.000 1.059 7 T HN 0.752 nan 8.240 nan 0.000 0.542 8 G N 1.318 110.241 108.800 0.205 0.000 2.556 8 G HA2 0.529 4.489 3.960 -0.000 0.000 0.294 8 G HA3 0.529 4.489 3.960 -0.000 0.000 0.294 8 G C -2.091 172.814 174.900 0.008 0.000 1.516 8 G CA -0.875 44.341 45.100 0.194 0.000 0.824 8 G HN 0.679 nan 8.290 nan 0.000 0.535 9 L N -1.295 119.914 121.223 -0.024 0.000 2.469 9 L HA 1.067 5.407 4.340 -0.000 0.000 0.256 9 L C -0.042 176.791 176.870 -0.062 0.000 1.006 9 L CA -0.803 53.968 54.840 -0.115 0.000 0.832 9 L CB 1.783 43.678 42.059 -0.273 0.000 1.421 9 L HN 1.380 nan 8.230 nan 0.000 0.410 10 G N 0.598 109.352 108.800 -0.076 0.000 2.706 10 G HA2 0.775 4.735 3.960 -0.000 0.000 0.297 10 G HA3 0.775 4.735 3.960 -0.000 0.000 0.297 10 G C -2.062 172.802 174.900 -0.061 0.000 1.403 10 G CA -0.637 44.431 45.100 -0.053 0.000 0.954 10 G HN 1.036 nan 8.290 nan 0.000 0.500 11 I N 0.609 121.156 120.570 -0.038 0.000 2.787 11 I HA 0.577 4.747 4.170 -0.000 0.000 0.294 11 I C -1.588 174.513 176.117 -0.027 0.000 1.365 11 I CA -0.903 60.369 61.300 -0.046 0.000 1.029 11 I CB 2.297 40.261 38.000 -0.060 0.000 1.313 11 I HN 0.368 nan 8.210 nan 0.000 0.431 12 V N 6.394 126.277 119.914 -0.052 0.000 2.419 12 V HA 0.589 4.709 4.120 -0.000 0.000 0.287 12 V C -0.260 175.741 176.094 -0.156 0.000 1.017 12 V CA -0.190 62.059 62.300 -0.086 0.000 0.844 12 V CB 1.343 33.117 31.823 -0.083 0.000 1.011 12 V HN 0.837 nan 8.190 nan 0.000 0.429 13 S N 2.404 118.041 115.700 -0.106 0.000 2.806 13 S HA 0.475 4.945 4.470 -0.000 0.000 0.306 13 S C 1.139 175.681 174.600 -0.097 0.000 1.167 13 S CA 0.096 58.240 58.200 -0.094 0.000 0.847 13 S CB 1.713 64.941 63.200 0.047 0.000 1.216 13 S HN 0.857 nan 8.310 nan 0.000 0.532 14 S N 0.350 116.003 115.700 -0.078 0.000 2.447 14 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 14 S C 1.429 176.005 174.600 -0.041 0.000 1.006 14 S CA 0.960 59.115 58.200 -0.074 0.000 0.957 14 S CB -1.117 62.050 63.200 -0.056 0.000 0.773 14 S HN 0.982 nan 8.310 nan 0.000 0.507 15 I N -2.282 118.271 120.570 -0.027 0.000 3.914 15 I HA 0.677 4.847 4.170 -0.000 0.000 0.333 15 I C 0.527 176.632 176.117 -0.019 0.000 1.449 15 I CA -0.459 60.821 61.300 -0.033 0.000 1.135 15 I CB 0.103 38.059 38.000 -0.073 0.000 1.073 15 I HN 0.286 nan 8.210 nan 0.000 0.401 16 G N 1.101 109.894 108.800 -0.012 0.000 2.386 16 G HA2 0.041 4.001 3.960 -0.000 0.000 0.302 16 G HA3 0.041 4.001 3.960 -0.000 0.000 0.302 16 G C -0.868 174.027 174.900 -0.008 0.000 1.629 16 G CA -0.651 44.447 45.100 -0.004 0.000 0.917 16 G HN 0.024 nan 8.290 nan 0.000 0.676 17 N N 0.641 119.338 118.700 -0.005 0.000 2.270 17 N HA 0.110 4.850 4.740 -0.000 0.000 0.198 17 N C 0.450 175.965 175.510 0.008 0.000 1.117 17 N CA 0.493 53.540 53.050 -0.004 0.000 0.845 17 N CB 0.119 38.608 38.487 0.002 0.000 0.980 17 N HN 0.839 nan 8.380 nan 0.000 0.486 18 N N -1.296 117.412 118.700 0.013 0.000 3.227 18 N HA -0.032 4.708 4.740 -0.000 0.000 0.241 18 N C 0.284 175.811 175.510 0.029 0.000 1.480 18 N CA -0.476 52.586 53.050 0.020 0.000 0.886 18 N CB 0.857 39.358 38.487 0.022 0.000 1.406 18 N HN -0.181 nan 8.380 nan 0.000 0.514 19 Q N -0.161 119.661 119.800 0.036 0.000 2.167 19 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 19 Q C 1.084 177.111 176.000 0.044 0.000 0.970 19 Q CA 1.719 57.555 55.803 0.054 0.000 0.855 19 Q CB -0.243 28.538 28.738 0.071 0.000 0.911 19 Q HN 0.568 nan 8.270 nan 0.000 0.438 20 Q N 1.219 121.035 119.800 0.028 0.000 2.046 20 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 20 Q C 1.824 177.814 176.000 -0.018 0.000 0.975 20 Q CA 1.886 57.687 55.803 -0.002 0.000 0.836 20 Q CB 0.062 28.800 28.738 0.000 0.000 0.896 20 Q HN 0.552 nan 8.270 nan 0.000 0.428 21 E N -0.285 119.912 120.200 -0.005 0.000 2.106 21 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 21 E C 1.988 178.581 176.600 -0.011 0.000 0.984 21 E CA 1.214 57.607 56.400 -0.012 0.000 0.806 21 E CB -0.002 29.695 29.700 -0.005 0.000 0.750 21 E HN 0.119 nan 8.360 nan 0.000 0.458 22 V N 1.541 121.465 119.914 0.015 0.000 2.343 22 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 22 V C 2.290 178.395 176.094 0.018 0.000 1.051 22 V CA 1.366 63.688 62.300 0.037 0.000 1.036 22 V CB -0.361 31.536 31.823 0.124 0.000 0.654 22 V HN 0.233 nan 8.190 nan 0.000 0.451 23 L N 1.040 122.269 121.223 0.010 0.000 2.046 23 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 23 L C 2.436 179.241 176.870 -0.107 0.000 1.077 23 L CA 2.455 57.279 54.840 -0.027 0.000 0.747 23 L CB -1.045 40.937 42.059 -0.128 0.000 0.896 23 L HN 0.215 nan 8.230 nan 0.000 0.432 24 A N -1.301 121.456 122.820 -0.105 0.000 1.877 24 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 24 A C 2.387 179.909 177.584 -0.103 0.000 1.186 24 A CA 2.099 54.064 52.037 -0.119 0.000 0.620 24 A CB -1.078 17.871 19.000 -0.085 0.000 0.822 24 A HN 0.547 nan 8.150 nan 0.000 0.443 25 S N -0.076 115.580 115.700 -0.073 0.000 2.368 25 S HA -0.110 4.360 4.470 -0.000 0.000 0.225 25 S C 1.836 176.392 174.600 -0.074 0.000 1.030 25 S CA 1.498 59.656 58.200 -0.070 0.000 0.999 25 S CB -0.497 62.662 63.200 -0.068 0.000 0.844 25 S HN 0.500 nan 8.310 nan 0.000 0.459 26 L N 0.728 121.918 121.223 -0.055 0.000 2.046 26 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 26 L C 2.735 179.633 176.870 0.046 0.000 1.077 26 L CA 1.301 56.153 54.840 0.018 0.000 0.747 26 L CB -0.412 41.748 42.059 0.170 0.000 0.896 26 L HN 0.229 nan 8.230 nan 0.000 0.432 27 R N -0.121 120.292 120.500 -0.145 0.000 2.090 27 R HA -0.119 4.221 4.340 -0.000 0.000 0.228 27 R C 2.064 178.276 176.300 -0.147 0.000 1.110 27 R CA 1.110 57.028 56.100 -0.303 0.000 0.973 27 R CB -0.063 29.931 30.300 -0.510 0.000 0.869 27 R HN 0.431 nan 8.270 nan 0.000 0.440 28 E N -0.764 119.369 120.200 -0.112 0.000 2.358 28 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 28 E C 0.669 177.240 176.600 -0.048 0.000 1.010 28 E CA 0.462 56.816 56.400 -0.076 0.000 0.856 28 E CB 0.369 30.028 29.700 -0.069 0.000 0.795 28 E HN 0.496 nan 8.360 nan 0.000 0.504 29 G N 2.597 111.372 108.800 -0.041 0.000 2.198 29 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.257 29 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.257 29 G C 0.051 174.929 174.900 -0.036 0.000 1.042 29 G CA 0.427 45.509 45.100 -0.030 0.000 0.791 29 G HN 0.223 nan 8.290 nan 0.000 0.502 30 R N 0.324 120.797 120.500 -0.045 0.000 2.340 30 R HA 0.534 4.874 4.340 -0.000 0.000 0.300 30 R C 0.810 177.086 176.300 -0.039 0.000 1.069 30 R CA 0.317 56.394 56.100 -0.037 0.000 0.984 30 R CB 0.604 30.881 30.300 -0.037 0.000 1.003 30 R HN 0.296 nan 8.270 nan 0.000 0.459 31 S N 1.974 117.660 115.700 -0.023 0.000 2.584 31 S HA 0.302 4.772 4.470 -0.000 0.000 0.273 31 S C 0.790 175.389 174.600 -0.002 0.000 1.311 31 S CA -0.199 57.993 58.200 -0.014 0.000 1.034 31 S CB 1.276 64.476 63.200 0.001 0.000 0.939 31 S HN 0.801 nan 8.310 nan 0.000 0.513 32 G N 3.445 112.246 108.800 0.002 0.000 3.453 32 G HA2 0.248 4.208 3.960 -0.000 0.000 0.263 32 G HA3 0.248 4.208 3.960 -0.000 0.000 0.263 32 G C 0.019 174.951 174.900 0.053 0.000 1.060 32 G CA -0.269 44.838 45.100 0.013 0.000 0.793 32 G HN 0.602 nan 8.290 nan 0.000 0.532 33 I N 2.829 123.445 120.570 0.076 0.000 2.395 33 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 33 I C 0.671 176.892 176.117 0.173 0.000 1.023 33 I CA -0.284 61.099 61.300 0.137 0.000 1.350 33 I CB 0.385 38.457 38.000 0.120 0.000 1.409 33 I HN 0.082 nan 8.210 nan 0.000 0.507 34 T N 2.824 117.538 114.554 0.266 0.000 2.887 34 T HA 0.554 4.904 4.350 -0.000 0.000 0.292 34 T C -0.524 174.335 174.700 0.265 0.000 1.087 34 T CA -0.740 61.523 62.100 0.270 0.000 1.009 34 T CB 1.853 70.895 68.868 0.291 0.000 1.203 34 T HN 0.203 nan 8.240 nan 0.000 0.518 35 F N 1.584 121.581 119.950 0.079 0.000 2.443 35 F HA 0.582 5.109 4.527 -0.000 0.000 0.353 35 F C 0.395 176.100 175.800 -0.158 0.000 1.101 35 F CA -0.283 57.705 58.000 -0.021 0.000 1.226 35 F CB 1.043 40.042 39.000 -0.002 0.000 1.140 35 F HN 0.676 nan 8.300 nan 0.000 0.557 36 S N 4.917 119.800 115.700 -1.361 0.000 2.566 36 S HA 0.196 4.666 4.470 -0.000 0.000 0.324 36 S C 0.515 174.274 174.600 -1.400 0.000 1.081 36 S CA -0.656 56.679 58.200 -1.441 0.000 1.105 36 S CB 1.280 63.151 63.200 -2.215 0.000 0.981 36 S HN 0.878 nan 8.310 nan 0.000 0.464 37 Q N 3.456 122.751 119.800 -0.842 0.000 2.167 37 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 37 Q C 1.749 177.502 176.000 -0.411 0.000 0.970 37 Q CA 2.137 57.661 55.803 -0.465 0.000 0.855 37 Q CB -0.164 28.515 28.738 -0.099 0.000 0.911 37 Q HN 0.914 nan 8.270 nan 0.000 0.438 38 E N -0.450 119.509 120.200 -0.401 0.000 2.038 38 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 38 E C 1.813 178.242 176.600 -0.286 0.000 1.000 38 E CA 1.435 57.690 56.400 -0.242 0.000 0.803 38 E CB -0.202 29.461 29.700 -0.061 0.000 0.750 38 E HN 0.454 nan 8.360 nan 0.000 0.448 39 L N 0.599 121.556 121.223 -0.444 0.000 2.046 39 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 39 L C 2.872 179.566 176.870 -0.293 0.000 1.077 39 L CA 1.534 56.212 54.840 -0.270 0.000 0.747 39 L CB -0.552 41.328 42.059 -0.298 0.000 0.896 39 L HN 0.163 nan 8.230 nan 0.000 0.432 40 K N 0.316 120.400 120.400 -0.526 0.000 2.026 40 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 40 K C 1.654 178.037 176.600 -0.362 0.000 1.048 40 K CA 1.861 57.745 56.287 -0.672 0.000 0.929 40 K CB -0.007 32.017 32.500 -0.795 0.000 0.713 40 K HN 0.196 nan 8.250 nan 0.000 0.439 41 D N 0.167 120.383 120.400 -0.307 0.000 2.218 41 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 41 D C 1.862 177.982 176.300 -0.300 0.000 0.976 41 D CA 1.418 55.269 54.000 -0.248 0.000 0.853 41 D CB -0.076 40.594 40.800 -0.216 0.000 0.939 41 D HN 0.365 nan 8.370 nan 0.000 0.481 42 S N -1.019 114.465 115.700 -0.359 0.000 2.522 42 S HA 0.150 4.620 4.470 -0.000 0.000 0.227 42 S C 1.752 176.184 174.600 -0.281 0.000 0.986 42 S CA 0.906 58.809 58.200 -0.494 0.000 0.929 42 S CB 0.285 63.165 63.200 -0.533 0.000 0.769 42 S HN 0.305 nan 8.310 nan 0.000 0.529 43 G N 0.495 109.196 108.800 -0.165 0.000 2.163 43 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.213 43 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.213 43 G C 0.008 174.914 174.900 0.011 0.000 0.991 43 G CA 0.031 45.087 45.100 -0.073 0.000 0.653 43 G HN 0.471 nan 8.290 nan 0.000 0.518 44 M N -0.434 119.190 119.600 0.040 0.000 2.198 44 M HA 0.427 4.907 4.480 -0.000 0.000 0.315 44 M C 1.842 178.258 176.300 0.193 0.000 1.134 44 M CA 0.074 55.441 55.300 0.112 0.000 1.171 44 M CB 0.535 33.212 32.600 0.129 0.000 1.413 44 M HN 0.149 nan 8.290 nan 0.000 0.467 45 R N -0.444 120.106 120.500 0.083 0.000 2.189 45 R HA 0.114 4.454 4.340 -0.000 0.000 0.203 45 R C 0.431 176.578 176.300 -0.255 0.000 1.012 45 R CA 0.185 56.252 56.100 -0.055 0.000 1.015 45 R CB 0.291 30.561 30.300 -0.051 0.000 0.938 45 R HN 0.567 nan 8.270 nan 0.000 0.472 46 S N 0.424 116.085 115.700 -0.065 0.000 2.452 46 S HA 0.128 4.598 4.470 -0.000 0.000 0.284 46 S C -0.051 174.596 174.600 0.079 0.000 1.171 46 S CA -0.545 57.618 58.200 -0.061 0.000 1.064 46 S CB 0.336 63.537 63.200 0.002 0.000 0.967 46 S HN 0.341 nan 8.310 nan 0.000 0.484 47 H N 2.809 121.851 119.070 -0.047 0.000 2.512 47 H HA 0.315 4.871 4.556 -0.000 0.000 0.276 47 H C 0.056 175.221 175.328 -0.272 0.000 1.126 47 H CA -0.574 55.359 56.048 -0.191 0.000 1.060 47 H CB 0.585 30.321 29.762 -0.043 0.000 1.646 47 H HN 0.467 nan 8.280 nan 0.000 0.571 48 V N -1.623 118.288 119.914 -0.006 0.000 2.864 48 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 48 V C -1.228 174.963 176.094 0.162 0.000 1.073 48 V CA -0.915 61.407 62.300 0.036 0.000 0.956 48 V CB 2.118 34.029 31.823 0.146 0.000 1.023 48 V HN 0.390 nan 8.190 nan 0.000 0.435 49 W N 0.998 122.325 121.300 0.046 0.000 3.059 49 W HA 0.805 5.465 4.660 -0.000 0.000 0.329 49 W C -0.371 176.172 176.519 0.040 0.000 1.246 49 W CA -1.692 55.680 57.345 0.044 0.000 1.190 49 W CB 0.830 30.310 29.460 0.034 0.000 1.423 49 W HN 1.027 nan 8.180 nan 0.000 0.571 50 G N 2.113 111.013 108.800 0.167 0.000 2.922 50 G HA2 0.397 4.357 3.960 -0.000 0.000 0.335 50 G HA3 0.397 4.357 3.960 -0.000 0.000 0.335 50 G C -0.421 174.344 174.900 -0.225 0.000 1.016 50 G CA -0.820 44.284 45.100 0.006 0.000 1.306 50 G HN 0.619 nan 8.290 nan 0.000 0.465 51 N N -0.022 118.456 118.700 -0.370 0.000 2.493 51 N HA 0.428 5.168 4.740 -0.000 0.000 0.275 51 N C -0.465 174.870 175.510 -0.291 0.000 1.186 51 N CA -0.914 51.808 53.050 -0.546 0.000 0.978 51 N CB 1.967 40.011 38.487 -0.739 0.000 1.184 51 N HN -0.016 nan 8.380 nan 0.000 0.487 52 V N 1.466 121.196 119.914 -0.306 0.000 2.408 52 V HA 0.071 4.191 4.120 -0.000 0.000 0.267 52 V C 0.121 176.146 176.094 -0.115 0.000 1.047 52 V CA -0.484 61.672 62.300 -0.241 0.000 0.937 52 V CB 0.552 32.140 31.823 -0.391 0.000 0.999 52 V HN 0.689 nan 8.190 nan 0.000 0.472 53 K N 6.055 126.414 120.400 -0.069 0.000 2.222 53 K HA 0.477 4.797 4.320 -0.000 0.000 0.243 53 K C -0.858 175.742 176.600 -0.000 0.000 1.160 53 K CA -0.289 55.989 56.287 -0.015 0.000 1.090 53 K CB 0.399 32.900 32.500 0.000 0.000 1.694 53 K HN 0.453 nan 8.250 nan 0.000 0.361 54 L N 0.612 121.844 121.223 0.015 0.000 2.513 54 L HA 0.328 4.668 4.340 -0.000 0.000 0.261 54 L C -1.765 175.137 176.870 0.053 0.000 0.945 54 L CA -0.520 54.340 54.840 0.034 0.000 0.848 54 L CB 2.327 44.408 42.059 0.037 0.000 1.334 54 L HN 0.208 nan 8.230 nan 0.000 0.407 55 D N 1.727 122.154 120.400 0.046 0.000 2.347 55 D HA 0.293 4.933 4.640 -0.000 0.000 0.235 55 D C 0.869 177.196 176.300 0.044 0.000 1.149 55 D CA 0.409 54.435 54.000 0.043 0.000 0.850 55 D CB 1.328 42.148 40.800 0.033 0.000 1.061 55 D HN 0.673 nan 8.370 nan 0.000 0.487 56 T N 0.085 114.668 114.554 0.048 0.000 3.169 56 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 56 T C 0.740 175.443 174.700 0.005 0.000 1.111 56 T CA -0.326 61.797 62.100 0.039 0.000 1.010 56 T CB -0.511 68.383 68.868 0.044 0.000 0.984 56 T HN 0.262 nan 8.240 nan 0.000 0.537 57 T N 2.522 117.077 114.554 0.003 0.000 2.871 57 T HA 0.400 4.750 4.350 -0.000 0.000 0.296 57 T C 1.521 176.213 174.700 -0.014 0.000 0.998 57 T CA 0.750 62.843 62.100 -0.012 0.000 1.162 57 T CB 0.078 68.942 68.868 -0.005 0.000 0.947 57 T HN 0.718 nan 8.240 nan 0.000 0.536 58 G N 2.701 111.482 108.800 -0.032 0.000 2.166 58 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 58 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 58 G C 0.778 175.667 174.900 -0.018 0.000 0.986 58 G CA 0.391 45.474 45.100 -0.029 0.000 0.683 58 G HN 0.718 nan 8.290 nan 0.000 0.527 59 L N -0.798 120.417 121.223 -0.013 0.000 2.446 59 L HA 0.408 4.748 4.340 -0.000 0.000 0.219 59 L C 1.201 178.076 176.870 0.008 0.000 1.116 59 L CA 0.537 55.388 54.840 0.018 0.000 0.844 59 L CB 0.071 42.159 42.059 0.047 0.000 0.970 59 L HN 0.281 nan 8.230 nan 0.000 0.457 60 I N -0.923 119.602 120.570 -0.075 0.000 2.545 60 I HA 0.164 4.334 4.170 -0.000 0.000 0.292 60 I C -0.534 175.480 176.117 -0.171 0.000 1.040 60 I CA -0.925 60.266 61.300 -0.182 0.000 1.068 60 I CB 2.354 40.106 38.000 -0.413 0.000 1.251 60 I HN -0.175 nan 8.210 nan 0.000 0.424 61 D N 3.938 124.243 120.400 -0.159 0.000 2.533 61 D HA 0.003 4.643 4.640 -0.000 0.000 0.236 61 D C 1.359 177.566 176.300 -0.154 0.000 1.137 61 D CA 0.505 54.430 54.000 -0.124 0.000 0.867 61 D CB 0.974 41.717 40.800 -0.095 0.000 1.170 61 D HN 0.391 nan 8.370 nan 0.000 0.474 62 R N 2.544 122.968 120.500 -0.126 0.000 2.133 62 R HA -0.224 4.116 4.340 -0.000 0.000 0.245 62 R C 1.722 177.912 176.300 -0.183 0.000 1.137 62 R CA 1.819 57.831 56.100 -0.148 0.000 0.947 62 R CB -0.121 30.111 30.300 -0.112 0.000 0.865 62 R HN 0.529 nan 8.270 nan 0.000 0.437 63 K N -0.032 120.288 120.400 -0.134 0.000 2.362 63 K HA -0.062 4.258 4.320 -0.000 0.000 0.200 63 K C 1.873 178.435 176.600 -0.064 0.000 1.046 63 K CA 0.886 57.106 56.287 -0.112 0.000 0.952 63 K CB 0.222 32.700 32.500 -0.038 0.000 0.753 63 K HN 0.083 nan 8.250 nan 0.000 0.466 64 V N -0.054 119.798 119.914 -0.103 0.000 2.492 64 V HA -0.095 4.025 4.120 -0.000 0.000 0.241 64 V C 1.905 177.907 176.094 -0.152 0.000 1.041 64 V CA 0.785 63.034 62.300 -0.085 0.000 1.057 64 V CB 0.335 32.030 31.823 -0.212 0.000 0.711 64 V HN 0.058 nan 8.190 nan 0.000 0.468 65 V N 2.370 122.124 119.914 -0.267 0.000 2.759 65 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 65 V C 2.745 178.642 176.094 -0.328 0.000 1.080 65 V CA 2.070 64.191 62.300 -0.298 0.000 1.101 65 V CB -0.653 30.999 31.823 -0.285 0.000 0.698 65 V HN 0.712 nan 8.190 nan 0.000 0.477 66 R N -0.953 119.278 120.500 -0.449 0.000 2.193 66 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 66 R C 1.759 177.542 176.300 -0.861 0.000 1.110 66 R CA 2.082 57.725 56.100 -0.761 0.000 0.988 66 R CB -0.692 28.930 30.300 -1.131 0.000 0.871 66 R HN 0.508 nan 8.270 nan 0.000 0.458 67 F N 0.881 120.571 119.950 -0.434 0.000 2.765 67 F HA 0.339 4.866 4.527 -0.000 0.000 0.302 67 F C 0.813 176.458 175.800 -0.258 0.000 1.111 67 F CA -0.292 57.542 58.000 -0.275 0.000 1.359 67 F CB 0.221 39.125 39.000 -0.160 0.000 1.097 67 F HN -0.109 nan 8.300 nan 0.000 0.577 68 M N -0.319 119.186 119.600 -0.157 0.000 2.478 68 M HA 0.371 4.851 4.480 -0.000 0.000 0.327 68 M C 0.302 176.430 176.300 -0.286 0.000 1.187 68 M CA -0.698 54.492 55.300 -0.183 0.000 1.022 68 M CB 1.704 34.202 32.600 -0.171 0.000 1.629 68 M HN -0.062 nan 8.290 nan 0.000 0.461 69 S N -0.689 114.887 115.700 -0.207 0.000 2.745 69 S HA 0.368 4.838 4.470 -0.000 0.000 0.292 69 S C 0.229 174.756 174.600 -0.121 0.000 1.133 69 S CA -0.830 57.297 58.200 -0.122 0.000 0.998 69 S CB 1.126 64.332 63.200 0.010 0.000 1.087 69 S HN 0.670 nan 8.310 nan 0.000 0.551 70 D N 1.134 121.464 120.400 -0.116 0.000 2.149 70 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 70 D C 2.178 178.165 176.300 -0.521 0.000 0.990 70 D CA 1.818 55.565 54.000 -0.422 0.000 0.839 70 D CB -0.864 39.679 40.800 -0.427 0.000 0.948 70 D HN 0.679 nan 8.370 nan 0.000 0.460 71 A N 0.447 123.159 122.820 -0.180 0.000 1.908 71 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 71 A C 2.456 180.038 177.584 -0.004 0.000 1.181 71 A CA 2.027 54.053 52.037 -0.019 0.000 0.627 71 A CB -0.603 18.424 19.000 0.045 0.000 0.818 71 A HN 0.182 nan 8.150 nan 0.000 0.445 72 S N -0.412 115.268 115.700 -0.032 0.000 2.383 72 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 72 S C 1.794 176.416 174.600 0.036 0.000 1.026 72 S CA 1.244 59.456 58.200 0.020 0.000 0.981 72 S CB -0.447 62.751 63.200 -0.002 0.000 0.818 72 S HN 0.538 nan 8.310 nan 0.000 0.472 73 I N 0.429 120.939 120.570 -0.099 0.000 2.179 73 I HA -0.219 3.950 4.170 -0.000 0.000 0.242 73 I C 2.024 178.194 176.117 0.089 0.000 1.088 73 I CA 1.359 62.605 61.300 -0.089 0.000 1.357 73 I CB -0.436 37.415 38.000 -0.248 0.000 1.051 73 I HN 0.269 nan 8.210 nan 0.000 0.409 74 Y N 0.796 121.134 120.300 0.063 0.000 2.224 74 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 74 Y C 2.633 178.574 175.900 0.068 0.000 1.146 74 Y CA 0.782 58.913 58.100 0.052 0.000 1.182 74 Y CB -1.291 37.178 38.460 0.015 0.000 0.983 74 Y HN 0.131 nan 8.280 nan 0.000 0.524 75 A N -0.632 122.329 122.820 0.235 0.000 1.929 75 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 75 A C 2.183 179.861 177.584 0.157 0.000 1.176 75 A CA 1.073 53.199 52.037 0.148 0.000 0.628 75 A CB -1.287 17.782 19.000 0.115 0.000 0.816 75 A HN 0.432 nan 8.150 nan 0.000 0.444 76 F N 0.710 120.709 119.950 0.080 0.000 2.102 76 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 76 F C 1.922 177.798 175.800 0.127 0.000 1.105 76 F CA 1.818 59.900 58.000 0.137 0.000 1.239 76 F CB -0.169 38.895 39.000 0.106 0.000 0.991 76 F HN 0.137 nan 8.300 nan 0.000 0.474 77 L N -0.694 120.752 121.223 0.371 0.000 2.083 77 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 77 L C 2.499 179.411 176.870 0.070 0.000 1.083 77 L CA 1.387 56.366 54.840 0.233 0.000 0.752 77 L CB -0.905 41.291 42.059 0.228 0.000 0.899 77 L HN 0.093 nan 8.230 nan 0.000 0.433 78 S N -0.450 115.280 115.700 0.050 0.000 2.383 78 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 78 S C 1.918 176.456 174.600 -0.104 0.000 1.026 78 S CA 1.434 59.624 58.200 -0.018 0.000 0.981 78 S CB -0.185 63.008 63.200 -0.012 0.000 0.818 78 S HN 0.349 nan 8.310 nan 0.000 0.472 79 M N 1.386 120.869 119.600 -0.195 0.000 2.132 79 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 79 M C 1.982 178.008 176.300 -0.457 0.000 1.065 79 M CA 1.407 56.452 55.300 -0.425 0.000 1.122 79 M CB -0.155 32.005 32.600 -0.734 0.000 1.365 79 M HN 0.240 nan 8.290 nan 0.000 0.411 80 E N -0.155 119.853 120.200 -0.321 0.000 2.058 80 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 80 E C 2.038 178.571 176.600 -0.112 0.000 0.997 80 E CA 1.709 58.004 56.400 -0.175 0.000 0.801 80 E CB -0.204 29.475 29.700 -0.035 0.000 0.746 80 E HN 0.670 nan 8.360 nan 0.000 0.450 81 Q N 0.016 119.771 119.800 -0.075 0.000 2.050 81 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 81 Q C 2.231 178.207 176.000 -0.039 0.000 0.980 81 Q CA 1.396 57.180 55.803 -0.033 0.000 0.840 81 Q CB -0.172 28.557 28.738 -0.015 0.000 0.898 81 Q HN 0.239 nan 8.270 nan 0.000 0.424 82 A N 0.760 123.535 122.820 -0.075 0.000 1.902 82 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 82 A C 2.017 179.584 177.584 -0.028 0.000 1.181 82 A CA 1.082 53.095 52.037 -0.040 0.000 0.623 82 A CB -0.613 18.363 19.000 -0.040 0.000 0.818 82 A HN 0.309 nan 8.150 nan 0.000 0.443 83 I N -0.332 120.164 120.570 -0.122 0.000 2.179 83 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 83 I C 3.001 179.097 176.117 -0.035 0.000 1.088 83 I CA 1.158 62.376 61.300 -0.137 0.000 1.357 83 I CB -0.364 37.419 38.000 -0.361 0.000 1.051 83 I HN 0.374 nan 8.210 nan 0.000 0.409 84 A N 0.253 123.061 122.820 -0.020 0.000 1.902 84 A HA -0.298 4.022 4.320 -0.000 0.000 0.217 84 A C 1.991 179.599 177.584 0.039 0.000 1.181 84 A CA 2.285 54.335 52.037 0.021 0.000 0.623 84 A CB -0.749 18.265 19.000 0.022 0.000 0.818 84 A HN 0.448 nan 8.150 nan 0.000 0.443 85 D N -0.356 120.073 120.400 0.048 0.000 2.218 85 D HA 0.015 4.655 4.640 -0.000 0.000 0.204 85 D C 1.775 178.142 176.300 0.113 0.000 0.976 85 D CA 1.295 55.350 54.000 0.092 0.000 0.853 85 D CB -0.118 40.758 40.800 0.126 0.000 0.939 85 D HN 0.349 nan 8.370 nan 0.000 0.481 86 A N -0.756 122.115 122.820 0.085 0.000 2.169 86 A HA 0.405 4.725 4.320 -0.000 0.000 0.212 86 A C 1.850 179.473 177.584 0.065 0.000 1.153 86 A CA 0.962 53.047 52.037 0.080 0.000 0.756 86 A CB -0.454 18.572 19.000 0.044 0.000 0.813 86 A HN 0.434 nan 8.150 nan 0.000 0.471 87 G N -0.984 107.852 108.800 0.060 0.000 2.160 87 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 87 G C -0.052 174.892 174.900 0.074 0.000 1.022 87 G CA 0.365 45.499 45.100 0.057 0.000 0.741 87 G HN 0.442 nan 8.290 nan 0.000 0.508 88 L N 0.566 121.844 121.223 0.092 0.000 2.325 88 L HA 0.671 5.011 4.340 -0.000 0.000 0.279 88 L C 0.593 177.597 176.870 0.224 0.000 1.054 88 L CA -0.602 54.333 54.840 0.158 0.000 0.804 88 L CB 1.796 43.955 42.059 0.167 0.000 1.200 88 L HN 0.158 nan 8.230 nan 0.000 0.436 89 S N 1.980 117.831 115.700 0.251 0.000 2.607 89 S HA 0.395 4.865 4.470 -0.000 0.000 0.303 89 S C -1.836 172.878 174.600 0.190 0.000 1.086 89 S CA -1.120 57.212 58.200 0.219 0.000 0.995 89 S CB 2.124 65.386 63.200 0.103 0.000 1.084 89 S HN 0.383 nan 8.310 nan 0.000 0.507 90 P HA -0.233 nan 4.420 nan 0.000 0.217 90 P C 1.320 178.392 177.300 -0.380 0.000 1.158 90 P CA 1.335 64.197 63.100 -0.396 0.000 0.887 90 P CB 0.022 31.614 31.700 -0.179 0.000 0.792 91 E N -0.466 119.644 120.200 -0.150 0.000 2.267 91 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 91 E C 1.825 178.385 176.600 -0.066 0.000 0.998 91 E CA 1.649 57.988 56.400 -0.102 0.000 0.830 91 E CB -1.098 28.576 29.700 -0.043 0.000 0.751 91 E HN 0.272 nan 8.360 nan 0.000 0.491 92 A N 0.799 123.614 122.820 -0.009 0.000 1.984 92 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 92 A C 1.798 179.465 177.584 0.139 0.000 1.173 92 A CA 0.865 52.955 52.037 0.088 0.000 0.673 92 A CB -0.425 18.671 19.000 0.161 0.000 0.830 92 A HN 0.432 nan 8.150 nan 0.000 0.453 93 Y N -1.578 118.764 120.300 0.070 0.000 2.430 93 Y HA 0.451 5.001 4.550 -0.000 0.000 0.248 93 Y C 0.621 176.550 175.900 0.049 0.000 1.108 93 Y CA -0.630 57.526 58.100 0.094 0.000 1.264 93 Y CB -0.126 38.459 38.460 0.209 0.000 1.172 93 Y HN 0.157 nan 8.280 nan 0.000 0.520 94 Q N 2.029 121.539 119.800 -0.483 0.000 2.259 94 Q HA 0.198 4.538 4.340 -0.000 0.000 0.249 94 Q C -0.271 175.545 176.000 -0.307 0.000 0.914 94 Q CA -0.527 55.057 55.803 -0.365 0.000 0.904 94 Q CB 0.591 29.061 28.738 -0.448 0.000 1.213 94 Q HN 0.353 nan 8.270 nan 0.000 0.428 95 N N 1.924 120.329 118.700 -0.490 0.000 2.727 95 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 95 N C -1.139 174.131 175.510 -0.402 0.000 1.048 95 N CA 0.766 53.275 53.050 -0.901 0.000 0.714 95 N CB -1.033 37.170 38.487 -0.474 0.000 0.959 95 N HN 0.580 nan 8.380 nan 0.000 0.544 96 N N 0.194 118.772 118.700 -0.202 0.000 2.479 96 N HA 0.336 5.076 4.740 -0.000 0.000 0.261 96 N C -1.962 173.594 175.510 0.077 0.000 0.979 96 N CA -1.918 51.123 53.050 -0.014 0.000 0.930 96 N CB 1.588 40.082 38.487 0.011 0.000 1.172 96 N HN -0.176 nan 8.380 nan 0.000 0.499 97 P HA -0.014 nan 4.420 nan 0.000 0.221 97 P C 0.698 178.034 177.300 0.060 0.000 1.145 97 P CA 0.897 64.065 63.100 0.113 0.000 0.795 97 P CB 0.388 32.142 31.700 0.090 0.000 0.775 98 R N -1.032 119.489 120.500 0.036 0.000 2.317 98 R HA 0.183 4.523 4.340 -0.000 0.000 0.208 98 R C -0.023 176.256 176.300 -0.035 0.000 0.914 98 R CA 0.147 56.244 56.100 -0.005 0.000 1.060 98 R CB -0.083 30.208 30.300 -0.016 0.000 1.015 98 R HN 0.150 nan 8.270 nan 0.000 0.498 99 V N 0.123 120.043 119.914 0.009 0.000 2.487 99 V HA 0.659 4.779 4.120 -0.000 0.000 0.298 99 V C 0.480 176.608 176.094 0.057 0.000 1.028 99 V CA -0.784 61.523 62.300 0.011 0.000 0.860 99 V CB 1.792 33.675 31.823 0.099 0.000 0.991 99 V HN 0.283 nan 8.190 nan 0.000 0.427 100 G N 3.063 111.870 108.800 0.012 0.000 3.140 100 G HA2 0.842 4.802 3.960 -0.000 0.000 0.271 100 G HA3 0.842 4.802 3.960 -0.000 0.000 0.271 100 G C -1.741 173.196 174.900 0.062 0.000 1.370 100 G CA -0.764 44.348 45.100 0.019 0.000 1.014 100 G HN 0.724 nan 8.290 nan 0.000 0.541 101 L N -0.282 120.931 121.223 -0.017 0.000 2.505 101 L HA 0.697 5.037 4.340 -0.000 0.000 0.266 101 L C -1.607 175.184 176.870 -0.132 0.000 0.954 101 L CA -0.760 54.078 54.840 -0.003 0.000 0.852 101 L CB 1.778 43.859 42.059 0.038 0.000 1.282 101 L HN 0.441 nan 8.230 nan 0.000 0.403 102 I N 5.286 125.791 120.570 -0.109 0.000 2.476 102 I HA 0.733 4.903 4.170 -0.000 0.000 0.281 102 I C -0.498 175.608 176.117 -0.019 0.000 1.040 102 I CA -0.284 60.944 61.300 -0.121 0.000 1.094 102 I CB 1.730 39.645 38.000 -0.142 0.000 1.219 102 I HN 0.679 nan 8.210 nan 0.000 0.450 103 A N 4.265 127.097 122.820 0.019 0.000 2.574 103 A HA 0.980 5.300 4.320 -0.000 0.000 0.297 103 A C -0.662 176.959 177.584 0.062 0.000 1.062 103 A CA -0.450 51.608 52.037 0.034 0.000 0.686 103 A CB 1.967 20.981 19.000 0.022 0.000 1.285 103 A HN 0.753 nan 8.150 nan 0.000 0.403 104 G N -0.358 108.479 108.800 0.062 0.000 2.721 104 G HA2 0.810 4.770 3.960 -0.000 0.000 0.296 104 G HA3 0.810 4.770 3.960 -0.000 0.000 0.296 104 G C -0.612 174.326 174.900 0.063 0.000 1.383 104 G CA 0.213 45.356 45.100 0.072 0.000 0.788 104 G HN 1.885 nan 8.290 nan 0.000 0.500 105 S N -1.894 113.845 115.700 0.065 0.000 2.632 105 S HA 0.679 5.149 4.470 -0.000 0.000 0.289 105 S C 0.980 175.617 174.600 0.061 0.000 1.115 105 S CA 0.238 58.474 58.200 0.060 0.000 0.889 105 S CB 1.611 64.850 63.200 0.063 0.000 1.116 105 S HN 1.519 nan 8.310 nan 0.000 0.486 106 G N -0.156 108.676 108.800 0.055 0.000 2.430 106 G HA2 0.338 4.298 3.960 -0.000 0.000 0.216 106 G HA3 0.338 4.298 3.960 -0.000 0.000 0.216 106 G C 0.835 175.779 174.900 0.073 0.000 1.146 106 G CA 0.348 45.483 45.100 0.059 0.000 0.793 106 G HN 1.227 nan 8.290 nan 0.000 0.537 107 G N -1.234 107.611 108.800 0.076 0.000 3.695 107 G HA2 0.474 4.434 3.960 -0.000 0.000 0.277 107 G HA3 0.474 4.434 3.960 -0.000 0.000 0.277 107 G C 1.005 175.946 174.900 0.070 0.000 1.001 107 G CA 0.779 45.926 45.100 0.079 0.000 0.837 107 G HN 1.065 nan 8.290 nan 0.000 0.492 108 G N 0.497 109.338 108.800 0.068 0.000 2.574 108 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.301 108 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.301 108 G C 0.405 175.351 174.900 0.077 0.000 1.166 108 G CA 0.767 45.908 45.100 0.068 0.000 0.971 108 G HN 1.481 nan 8.290 nan 0.000 0.542 109 S N 1.368 117.123 115.700 0.091 0.000 2.381 109 S HA 0.637 5.107 4.470 -0.000 0.000 0.193 109 S C -1.374 173.280 174.600 0.091 0.000 1.287 109 S CA 0.117 58.387 58.200 0.117 0.000 1.199 109 S CB 1.698 65.027 63.200 0.215 0.000 1.214 109 S HN 0.271 nan 8.310 nan 0.000 0.444 110 P HA -0.116 nan 4.420 nan 0.000 0.216 110 P C 1.505 178.754 177.300 -0.085 0.000 1.150 110 P CA 0.742 63.827 63.100 -0.025 0.000 0.837 110 P CB 0.129 31.799 31.700 -0.050 0.000 0.786 111 R N -0.999 119.425 120.500 -0.127 0.000 2.073 111 R HA -0.114 4.226 4.340 -0.000 0.000 0.234 111 R C 1.857 178.005 176.300 -0.254 0.000 1.134 111 R CA 1.645 57.586 56.100 -0.265 0.000 0.952 111 R CB -0.898 29.193 30.300 -0.349 0.000 0.850 111 R HN 0.112 nan 8.270 nan 0.000 0.433 112 F N 0.708 120.674 119.950 0.026 0.000 2.512 112 F HA 0.053 4.580 4.527 -0.000 0.000 0.296 112 F C 2.449 178.338 175.800 0.149 0.000 1.110 112 F CA 0.765 58.833 58.000 0.113 0.000 1.446 112 F CB 0.079 39.114 39.000 0.060 0.000 1.092 112 F HN 0.108 nan 8.300 nan 0.000 0.554 113 Q N -0.294 119.624 119.800 0.198 0.000 2.119 113 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 113 Q C 2.335 178.384 176.000 0.082 0.000 0.972 113 Q CA 1.487 57.367 55.803 0.129 0.000 0.847 113 Q CB -0.200 28.583 28.738 0.075 0.000 0.903 113 Q HN 0.274 nan 8.270 nan 0.000 0.433 114 V N 0.442 120.379 119.914 0.037 0.000 2.453 114 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 114 V C 1.845 177.961 176.094 0.038 0.000 1.048 114 V CA 1.393 63.696 62.300 0.006 0.000 1.049 114 V CB -0.571 31.211 31.823 -0.068 0.000 0.672 114 V HN 0.334 nan 8.190 nan 0.000 0.457 115 F N 2.401 122.318 119.950 -0.056 0.000 2.095 115 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 115 F C 2.176 177.999 175.800 0.039 0.000 1.104 115 F CA 1.827 59.810 58.000 -0.028 0.000 1.232 115 F CB -0.939 38.017 39.000 -0.072 0.000 0.987 115 F HN 0.132 nan 8.300 nan 0.000 0.475 116 G N -0.189 108.581 108.800 -0.050 0.000 2.446 116 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 116 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 116 G C 1.814 176.609 174.900 -0.175 0.000 1.168 116 G CA 0.957 45.968 45.100 -0.148 0.000 0.771 116 G HN 0.660 nan 8.290 nan 0.000 0.551 117 A N 0.858 123.626 122.820 -0.087 0.000 1.898 117 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 117 A C 2.109 179.635 177.584 -0.096 0.000 1.181 117 A CA 2.095 54.092 52.037 -0.067 0.000 0.620 117 A CB -0.377 18.609 19.000 -0.023 0.000 0.819 117 A HN 0.276 nan 8.150 nan 0.000 0.442 118 D N 0.106 120.433 120.400 -0.122 0.000 2.097 118 D HA -0.034 4.606 4.640 -0.000 0.000 0.195 118 D C 2.270 178.467 176.300 -0.172 0.000 0.989 118 D CA 1.616 55.550 54.000 -0.110 0.000 0.827 118 D CB -0.454 40.304 40.800 -0.071 0.000 0.966 118 D HN 0.394 nan 8.370 nan 0.000 0.456 119 A N 0.540 123.155 122.820 -0.342 0.000 1.902 119 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 119 A C 2.137 179.608 177.584 -0.187 0.000 1.181 119 A CA 1.765 53.601 52.037 -0.335 0.000 0.623 119 A CB -0.568 18.055 19.000 -0.629 0.000 0.818 119 A HN 0.177 nan 8.150 nan 0.000 0.443 120 M N -0.079 119.420 119.600 -0.168 0.000 2.213 120 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 120 M C 1.769 178.029 176.300 -0.066 0.000 1.062 120 M CA 1.508 56.751 55.300 -0.096 0.000 1.105 120 M CB -0.404 32.151 32.600 -0.075 0.000 1.385 120 M HN 0.360 nan 8.290 nan 0.000 0.417 121 R N -0.119 120.342 120.500 -0.066 0.000 2.313 121 R HA 0.220 4.560 4.340 -0.000 0.000 0.199 121 R C 0.990 177.269 176.300 -0.036 0.000 0.958 121 R CA 0.253 56.329 56.100 -0.041 0.000 1.047 121 R CB -0.337 29.944 30.300 -0.031 0.000 0.955 121 R HN 0.454 nan 8.270 nan 0.000 0.481 122 G N 1.106 109.878 108.800 -0.046 0.000 2.557 122 G HA2 0.147 4.107 3.960 -0.000 0.000 0.292 122 G HA3 0.147 4.107 3.960 -0.000 0.000 0.292 122 G C -1.491 173.394 174.900 -0.025 0.000 1.237 122 G CA -1.026 44.055 45.100 -0.033 0.000 0.978 122 G HN -0.078 nan 8.290 nan 0.000 0.498 123 P HA -0.027 nan 4.420 nan 0.000 0.223 123 P C 1.316 178.609 177.300 -0.013 0.000 1.151 123 P CA 0.546 63.639 63.100 -0.012 0.000 0.787 123 P CB 0.356 32.053 31.700 -0.006 0.000 0.788 124 R N -0.476 120.015 120.500 -0.015 0.000 2.240 124 R HA 0.108 4.448 4.340 -0.000 0.000 0.203 124 R C 1.724 178.012 176.300 -0.021 0.000 1.011 124 R CA 0.810 56.902 56.100 -0.013 0.000 1.007 124 R CB -0.680 29.616 30.300 -0.006 0.000 0.911 124 R HN 0.217 nan 8.270 nan 0.000 0.468 125 G N 1.703 110.484 108.800 -0.031 0.000 2.622 125 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.307 125 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.307 125 G C 0.878 175.754 174.900 -0.041 0.000 1.226 125 G CA 0.456 45.534 45.100 -0.036 0.000 0.997 125 G HN 0.259 nan 8.290 nan 0.000 0.551 126 L N 0.458 121.663 121.223 -0.031 0.000 2.127 126 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 126 L C 2.992 179.848 176.870 -0.023 0.000 1.089 126 L CA 2.162 56.985 54.840 -0.028 0.000 0.757 126 L CB -0.469 41.576 42.059 -0.023 0.000 0.899 126 L HN 0.527 nan 8.230 nan 0.000 0.434 127 K N -0.124 120.265 120.400 -0.017 0.000 2.148 127 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 127 K C 2.175 178.781 176.600 0.009 0.000 1.050 127 K CA 1.177 57.460 56.287 -0.007 0.000 0.942 127 K CB -0.132 32.366 32.500 -0.004 0.000 0.724 127 K HN 0.302 nan 8.250 nan 0.000 0.446 128 A N 0.745 123.564 122.820 -0.002 0.000 1.970 128 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 128 A C 2.250 179.845 177.584 0.018 0.000 1.170 128 A CA 0.716 52.761 52.037 0.012 0.000 0.645 128 A CB -0.243 18.735 19.000 -0.036 0.000 0.816 128 A HN 0.028 nan 8.150 nan 0.000 0.447 129 V N -0.400 119.494 119.914 -0.033 0.000 2.261 129 V HA 0.189 4.309 4.120 -0.000 0.000 0.246 129 V C 1.618 177.802 176.094 0.151 0.000 1.047 129 V CA 1.294 63.588 62.300 -0.010 0.000 1.015 129 V CB -1.847 29.957 31.823 -0.032 0.000 0.642 129 V HN 1.237 nan 8.190 nan 0.000 0.446 130 G N 0.317 109.152 108.800 0.058 0.000 2.746 130 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.685 130 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.685 130 G C -1.706 173.134 174.900 -0.101 0.000 1.350 130 G CA -0.088 45.013 45.100 0.001 0.000 0.837 130 G HN 0.308 nan 8.290 nan 0.000 0.564 131 P HA 0.213 nan 4.420 nan 0.000 0.262 131 P C 0.196 177.232 177.300 -0.441 0.000 1.304 131 P CA 0.692 63.545 63.100 -0.412 0.000 0.859 131 P CB 0.068 31.452 31.700 -0.527 0.000 1.310 132 Y N -1.321 118.964 120.300 -0.025 0.000 2.507 132 Y HA 0.123 4.673 4.550 -0.000 0.000 0.254 132 Y C 2.196 178.066 175.900 -0.049 0.000 1.171 132 Y CA -0.288 57.770 58.100 -0.070 0.000 1.238 132 Y CB -0.431 37.886 38.460 -0.237 0.000 1.148 132 Y HN -0.275 nan 8.280 nan 0.000 0.525 133 V N -1.299 118.691 119.914 0.125 0.000 2.453 133 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 133 V C 2.123 178.276 176.094 0.098 0.000 1.048 133 V CA 1.506 63.885 62.300 0.131 0.000 1.049 133 V CB -0.740 31.219 31.823 0.227 0.000 0.672 133 V HN 0.224 nan 8.190 nan 0.000 0.457 134 V N 1.343 121.315 119.914 0.096 0.000 2.255 134 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 134 V C 2.833 178.973 176.094 0.078 0.000 1.051 134 V CA 2.744 65.094 62.300 0.083 0.000 1.018 134 V CB -1.448 30.419 31.823 0.072 0.000 0.641 134 V HN 0.814 nan 8.190 nan 0.000 0.445 135 T N -2.050 112.567 114.554 0.105 0.000 2.962 135 T HA -0.167 4.183 4.350 -0.000 0.000 0.270 135 T C 1.722 176.442 174.700 0.033 0.000 1.088 135 T CA 1.303 63.456 62.100 0.089 0.000 1.127 135 T CB -0.252 68.718 68.868 0.169 0.000 0.883 135 T HN 0.488 nan 8.240 nan 0.000 0.493 136 K N 1.057 121.445 120.400 -0.021 0.000 2.098 136 K HA 0.332 4.652 4.320 -0.000 0.000 0.203 136 K C 2.593 179.193 176.600 0.000 0.000 1.051 136 K CA 0.973 57.183 56.287 -0.129 0.000 0.957 136 K CB -0.132 32.078 32.500 -0.484 0.000 0.738 136 K HN 0.415 nan 8.250 nan 0.000 0.447 137 A N 1.722 124.580 122.820 0.063 0.000 2.147 137 A HA 0.105 4.425 4.320 -0.000 0.000 0.211 137 A C 1.151 178.781 177.584 0.077 0.000 1.160 137 A CA -0.187 51.913 52.037 0.106 0.000 0.781 137 A CB -0.362 18.724 19.000 0.142 0.000 0.842 137 A HN 0.303 nan 8.150 nan 0.000 0.475 138 M N -1.634 118.003 119.600 0.062 0.000 2.248 138 M HA 0.494 4.974 4.480 -0.000 0.000 0.337 138 M C 0.977 177.309 176.300 0.054 0.000 1.121 138 M CA 0.406 55.738 55.300 0.054 0.000 1.155 138 M CB 0.507 33.136 32.600 0.048 0.000 1.514 138 M HN 0.052 nan 8.290 nan 0.000 0.452 139 A N 2.206 125.057 122.820 0.052 0.000 1.978 139 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 139 A C 2.050 179.669 177.584 0.058 0.000 1.170 139 A CA 2.130 54.199 52.037 0.054 0.000 0.636 139 A CB -1.005 18.025 19.000 0.050 0.000 0.810 139 A HN 1.018 nan 8.150 nan 0.000 0.448 140 S N -0.914 114.820 115.700 0.057 0.000 2.634 140 S HA 0.304 4.774 4.470 -0.000 0.000 0.221 140 S C 1.639 176.273 174.600 0.056 0.000 0.952 140 S CA 0.585 58.823 58.200 0.064 0.000 0.930 140 S CB -0.347 62.894 63.200 0.068 0.000 0.780 140 S HN 0.605 nan 8.310 nan 0.000 0.498 141 G N 2.334 111.164 108.800 0.049 0.000 2.513 141 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 141 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 141 G C 1.311 176.237 174.900 0.044 0.000 1.160 141 G CA 1.305 46.428 45.100 0.039 0.000 0.767 141 G HN 0.490 nan 8.290 nan 0.000 0.571 142 V N 1.778 121.724 119.914 0.054 0.000 2.392 142 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 142 V C 3.240 179.377 176.094 0.070 0.000 1.059 142 V CA 2.507 64.846 62.300 0.064 0.000 1.051 142 V CB -0.556 31.306 31.823 0.065 0.000 0.658 142 V HN 0.646 nan 8.190 nan 0.000 0.455 143 S N 0.718 116.457 115.700 0.065 0.000 2.371 143 S HA 0.000 4.470 4.470 -0.000 0.000 0.221 143 S C 2.163 176.798 174.600 0.058 0.000 1.036 143 S CA 0.957 59.193 58.200 0.060 0.000 0.965 143 S CB -0.494 62.745 63.200 0.064 0.000 0.845 143 S HN 0.535 nan 8.310 nan 0.000 0.475 144 A N 1.086 123.935 122.820 0.048 0.000 1.883 144 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 144 A C 2.393 179.984 177.584 0.012 0.000 1.186 144 A CA 1.701 53.752 52.037 0.023 0.000 0.624 144 A CB -1.564 17.440 19.000 0.008 0.000 0.822 144 A HN 0.702 nan 8.150 nan 0.000 0.444 145 C N -1.316 118.001 119.300 0.028 0.000 2.472 145 C HA 0.145 4.605 4.460 -0.000 0.000 0.278 145 C C 2.312 177.380 174.990 0.131 0.000 1.447 145 C CA 0.701 59.739 59.018 0.034 0.000 1.773 145 C CB -1.295 26.464 27.740 0.031 0.000 1.793 145 C HN 0.532 nan 8.230 nan 0.000 0.544 146 L N 0.511 121.842 121.223 0.179 0.000 2.349 146 L HA 0.255 4.595 4.340 -0.000 0.000 0.200 146 L C 2.660 179.703 176.870 0.289 0.000 1.064 146 L CA 1.599 56.633 54.840 0.323 0.000 0.821 146 L CB -1.222 40.980 42.059 0.237 0.000 1.027 146 L HN 0.149 nan 8.230 nan 0.000 0.476 147 A N -0.827 122.085 122.820 0.154 0.000 1.940 147 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 147 A C 2.306 179.966 177.584 0.127 0.000 1.176 147 A CA 2.487 54.602 52.037 0.130 0.000 0.631 147 A CB -0.991 18.056 19.000 0.078 0.000 0.814 147 A HN 0.425 nan 8.150 nan 0.000 0.446 148 T N 0.296 114.895 114.554 0.074 0.000 2.668 148 T HA -0.058 4.292 4.350 -0.000 0.000 0.262 148 T C -0.022 174.690 174.700 0.021 0.000 1.045 148 T CA 1.567 63.681 62.100 0.024 0.000 1.152 148 T CB -1.043 67.788 68.868 -0.062 0.000 0.864 148 T HN 0.522 nan 8.240 nan 0.000 0.419 149 P HA -0.004 nan 4.420 nan 0.000 0.219 149 P C 0.866 178.087 177.300 -0.132 0.000 1.150 149 P CA 1.062 64.111 63.100 -0.085 0.000 0.814 149 P CB -0.274 31.364 31.700 -0.104 0.000 0.787 150 F N 0.483 120.466 119.950 0.056 0.000 2.804 150 F HA 0.126 4.653 4.527 -0.000 0.000 0.303 150 F C 0.804 176.634 175.800 0.050 0.000 1.154 150 F CA 0.009 58.039 58.000 0.050 0.000 1.401 150 F CB -0.271 38.699 39.000 -0.050 0.000 1.106 150 F HN -0.220 nan 8.300 nan 0.000 0.568 151 K N 0.500 120.987 120.400 0.146 0.000 3.148 151 K HA -0.201 4.119 4.320 -0.000 0.000 0.267 151 K C -0.475 176.169 176.600 0.074 0.000 0.996 151 K CA 0.361 56.690 56.287 0.070 0.000 0.737 151 K CB -2.302 30.171 32.500 -0.045 0.000 1.308 151 K HN 0.197 nan 8.250 nan 0.000 0.470 152 I N 1.198 121.871 120.570 0.172 0.000 2.441 152 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 152 I C 1.929 178.215 176.117 0.281 0.000 1.049 152 I CA 0.168 61.580 61.300 0.186 0.000 1.381 152 I CB 0.450 38.550 38.000 0.166 0.000 1.409 152 I HN 0.264 nan 8.210 nan 0.000 0.523 153 H N 3.321 122.428 119.070 0.061 0.000 2.740 153 H HA 0.171 4.727 4.556 -0.000 0.000 0.265 153 H C 1.383 176.726 175.328 0.026 0.000 0.978 153 H CA -0.005 56.064 56.048 0.036 0.000 1.198 153 H CB 1.347 31.127 29.762 0.029 0.000 1.467 153 H HN 0.766 nan 8.280 nan 0.000 0.511 154 G N 1.117 110.002 108.800 0.141 0.000 2.735 154 G HA2 0.202 4.162 3.960 -0.000 0.000 0.192 154 G HA3 0.202 4.162 3.960 -0.000 0.000 0.192 154 G C 0.182 175.093 174.900 0.019 0.000 1.547 154 G CA 0.073 45.210 45.100 0.062 0.000 1.080 154 G HN 0.127 nan 8.290 nan 0.000 0.569 155 V N -0.735 119.157 119.914 -0.036 0.000 2.872 155 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 155 V C -0.223 175.766 176.094 -0.176 0.000 1.072 155 V CA -0.253 61.978 62.300 -0.114 0.000 1.148 155 V CB 1.132 32.819 31.823 -0.226 0.000 0.954 155 V HN 0.773 nan 8.190 nan 0.000 0.490 156 N N 3.452 122.038 118.700 -0.190 0.000 2.629 156 N HA 0.502 5.242 4.740 -0.000 0.000 0.277 156 N C -1.181 174.323 175.510 -0.010 0.000 1.188 156 N CA -0.574 52.401 53.050 -0.124 0.000 0.835 156 N CB 1.136 39.623 38.487 0.001 0.000 1.420 156 N HN 1.029 nan 8.380 nan 0.000 0.542 157 Y N -1.158 119.161 120.300 0.032 0.000 2.741 157 Y HA 0.657 5.207 4.550 -0.000 0.000 0.339 157 Y C -1.313 174.605 175.900 0.029 0.000 1.226 157 Y CA -1.212 56.904 58.100 0.027 0.000 1.072 157 Y CB 0.464 38.936 38.460 0.021 0.000 1.331 157 Y HN 0.118 nan 8.280 nan 0.000 0.453 158 S N 1.536 117.431 115.700 0.325 0.000 2.501 158 S HA 0.702 5.172 4.470 -0.000 0.000 0.301 158 S C -0.878 173.847 174.600 0.209 0.000 1.096 158 S CA -0.735 57.594 58.200 0.214 0.000 1.063 158 S CB 1.198 64.475 63.200 0.127 0.000 1.042 158 S HN 0.511 nan 8.310 nan 0.000 0.494 159 I N 1.907 122.583 120.570 0.177 0.000 2.441 159 I HA 0.465 4.635 4.170 -0.000 0.000 0.295 159 I C -0.119 176.063 176.117 0.108 0.000 0.994 159 I CA -0.311 61.066 61.300 0.128 0.000 1.144 159 I CB 1.977 40.068 38.000 0.151 0.000 1.314 159 I HN 0.483 nan 8.210 nan 0.000 0.445 160 S N 3.247 118.996 115.700 0.083 0.000 2.521 160 S HA 0.634 5.104 4.470 -0.000 0.000 0.295 160 S C -0.384 174.274 174.600 0.096 0.000 1.098 160 S CA -0.413 57.840 58.200 0.088 0.000 0.999 160 S CB 1.189 64.432 63.200 0.071 0.000 1.034 160 S HN 0.672 nan 8.310 nan 0.000 0.483 161 S N 2.666 118.445 115.700 0.132 0.000 2.607 161 S HA 0.615 5.085 4.470 -0.000 0.000 0.196 161 S C 0.526 175.214 174.600 0.147 0.000 0.911 161 S CA 0.008 58.304 58.200 0.161 0.000 1.133 161 S CB -0.220 63.152 63.200 0.287 0.000 1.612 161 S HN 1.921 nan 8.310 nan 0.000 0.437 162 A N 2.210 125.092 122.820 0.103 0.000 5.391 162 A HA -0.268 4.052 4.320 -0.000 0.000 0.315 162 A C 1.690 179.291 177.584 0.027 0.000 1.874 162 A CA 1.408 53.478 52.037 0.055 0.000 0.714 162 A CB -2.187 16.847 19.000 0.057 0.000 1.335 162 A HN 1.406 nan 8.150 nan 0.000 0.382 163 S N 0.232 115.933 115.700 0.002 0.000 2.603 163 S HA 0.321 4.791 4.470 -0.000 0.000 0.229 163 S C 1.491 176.127 174.600 0.060 0.000 0.972 163 S CA 1.393 59.629 58.200 0.059 0.000 0.935 163 S CB -0.263 63.049 63.200 0.187 0.000 0.769 163 S HN 1.711 nan 8.310 nan 0.000 0.536 164 A N 0.549 123.398 122.820 0.048 0.000 2.390 164 A HA 0.245 4.565 4.320 -0.000 0.000 0.232 164 A C 1.837 179.433 177.584 0.020 0.000 1.233 164 A CA 0.203 52.224 52.037 -0.025 0.000 0.907 164 A CB -0.558 18.419 19.000 -0.039 0.000 0.967 164 A HN 0.321 nan 8.150 nan 0.000 0.512 165 T N 1.628 116.239 114.554 0.095 0.000 2.481 165 T HA -0.288 4.062 4.350 -0.000 0.000 0.252 165 T C 2.215 176.965 174.700 0.082 0.000 1.242 165 T CA 2.838 65.008 62.100 0.117 0.000 1.170 165 T CB -0.601 68.314 68.868 0.078 0.000 0.860 165 T HN 0.825 nan 8.240 nan 0.000 0.422 166 S N 1.449 117.163 115.700 0.023 0.000 2.507 166 S HA 0.199 4.669 4.470 -0.000 0.000 0.235 166 S C 2.185 176.758 174.600 -0.044 0.000 0.988 166 S CA 0.763 58.959 58.200 -0.007 0.000 0.944 166 S CB -0.397 62.784 63.200 -0.031 0.000 0.762 166 S HN 0.582 nan 8.310 nan 0.000 0.526 167 A N 1.726 124.501 122.820 -0.075 0.000 1.898 167 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 167 A C 1.906 179.432 177.584 -0.096 0.000 1.183 167 A CA 1.141 53.102 52.037 -0.127 0.000 0.622 167 A CB -0.989 17.894 19.000 -0.196 0.000 0.824 167 A HN 0.658 nan 8.150 nan 0.000 0.444 168 H N -1.510 117.585 119.070 0.042 0.000 2.421 168 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 168 H C 2.168 177.488 175.328 -0.015 0.000 1.087 168 H CA 1.256 57.348 56.048 0.074 0.000 1.330 168 H CB -0.150 29.684 29.762 0.120 0.000 1.388 168 H HN 0.535 nan 8.280 nan 0.000 0.526 169 C N 0.225 119.584 119.300 0.098 0.000 2.432 169 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 169 C C 2.682 177.638 174.990 -0.057 0.000 1.249 169 C CA 0.806 59.848 59.018 0.040 0.000 1.725 169 C CB -0.785 26.972 27.740 0.030 0.000 2.028 169 C HN 0.532 nan 8.230 nan 0.000 0.477 170 I N 1.013 121.515 120.570 -0.113 0.000 2.252 170 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 170 I C 2.728 178.656 176.117 -0.315 0.000 1.102 170 I CA 1.770 62.962 61.300 -0.180 0.000 1.385 170 I CB -0.958 36.941 38.000 -0.169 0.000 1.064 170 I HN 0.446 nan 8.210 nan 0.000 0.414 171 G N 0.592 109.068 108.800 -0.541 0.000 2.422 171 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 171 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 171 G C 1.488 175.978 174.900 -0.683 0.000 1.146 171 G CA 0.690 45.012 45.100 -1.298 0.000 0.769 171 G HN 0.351 nan 8.290 nan 0.000 0.547 172 N N 1.012 119.555 118.700 -0.263 0.000 2.188 172 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 172 N C 2.561 178.040 175.510 -0.052 0.000 1.018 172 N CA 1.086 54.119 53.050 -0.028 0.000 0.858 172 N CB -0.106 38.442 38.487 0.102 0.000 0.989 172 N HN 0.248 nan 8.380 nan 0.000 0.426 173 A N 0.761 123.516 122.820 -0.108 0.000 1.933 173 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 173 A C 2.472 179.989 177.584 -0.112 0.000 1.175 173 A CA 1.179 53.148 52.037 -0.113 0.000 0.628 173 A CB -0.738 18.180 19.000 -0.137 0.000 0.814 173 A HN 0.165 nan 8.150 nan 0.000 0.444 174 V N 0.085 119.914 119.914 -0.142 0.000 2.295 174 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 174 V C 2.405 178.474 176.094 -0.042 0.000 1.049 174 V CA 2.367 64.605 62.300 -0.103 0.000 1.024 174 V CB -0.869 30.877 31.823 -0.128 0.000 0.648 174 V HN 0.653 nan 8.190 nan 0.000 0.447 175 E N -0.582 119.608 120.200 -0.016 0.000 2.110 175 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 175 E C 2.385 178.998 176.600 0.022 0.000 0.988 175 E CA 1.043 57.467 56.400 0.040 0.000 0.804 175 E CB -0.149 29.606 29.700 0.092 0.000 0.745 175 E HN 0.532 nan 8.360 nan 0.000 0.458 176 Q N 0.180 119.981 119.800 0.003 0.000 2.124 176 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 176 Q C 2.210 178.197 176.000 -0.023 0.000 0.977 176 Q CA 1.060 56.861 55.803 -0.004 0.000 0.850 176 Q CB -0.040 28.682 28.738 -0.026 0.000 0.901 176 Q HN 0.434 nan 8.270 nan 0.000 0.429 177 I N 0.295 120.841 120.570 -0.041 0.000 2.333 177 I HA -0.232 3.938 4.170 -0.000 0.000 0.246 177 I C 2.267 178.370 176.117 -0.023 0.000 1.106 177 I CA 0.716 61.987 61.300 -0.048 0.000 1.411 177 I CB -0.199 37.758 38.000 -0.072 0.000 1.082 177 I HN 0.196 nan 8.210 nan 0.000 0.420 178 Q N 0.664 120.459 119.800 -0.008 0.000 2.170 178 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 178 Q C 2.167 178.174 176.000 0.011 0.000 0.976 178 Q CA 1.249 57.056 55.803 0.007 0.000 0.858 178 Q CB -0.066 28.686 28.738 0.024 0.000 0.907 178 Q HN 0.527 nan 8.270 nan 0.000 0.433 179 L N -0.667 120.564 121.223 0.012 0.000 2.552 179 L HA 0.045 4.385 4.340 -0.000 0.000 0.227 179 L C 1.185 178.060 176.870 0.008 0.000 1.146 179 L CA 0.456 55.305 54.840 0.015 0.000 0.858 179 L CB -0.201 41.871 42.059 0.022 0.000 0.969 179 L HN 0.435 nan 8.230 nan 0.000 0.451 180 G N 0.103 108.902 108.800 -0.000 0.000 2.143 180 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.248 180 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.248 180 G C 0.993 175.890 174.900 -0.005 0.000 0.991 180 G CA 0.603 45.701 45.100 -0.004 0.000 0.689 180 G HN 0.400 nan 8.290 nan 0.000 0.522 181 K N -0.887 119.509 120.400 -0.007 0.000 2.243 181 K HA 0.110 4.430 4.320 -0.000 0.000 0.201 181 K C 0.966 177.554 176.600 -0.020 0.000 1.051 181 K CA 0.793 57.078 56.287 -0.005 0.000 0.970 181 K CB 0.088 32.592 32.500 0.007 0.000 0.755 181 K HN 0.444 nan 8.250 nan 0.000 0.465 182 Q N -0.296 119.478 119.800 -0.043 0.000 2.421 182 Q HA 0.151 4.491 4.340 -0.000 0.000 0.280 182 Q C -0.539 175.390 176.000 -0.118 0.000 1.085 182 Q CA -0.369 55.389 55.803 -0.075 0.000 0.807 182 Q CB 1.993 30.678 28.738 -0.088 0.000 1.405 182 Q HN -0.048 nan 8.270 nan 0.000 0.419 183 D N 0.195 120.486 120.400 -0.182 0.000 2.324 183 D HA 0.279 4.919 4.640 -0.000 0.000 0.212 183 D C 0.282 176.348 176.300 -0.391 0.000 0.984 183 D CA 0.796 54.609 54.000 -0.312 0.000 0.885 183 D CB 1.356 41.863 40.800 -0.488 0.000 0.996 183 D HN 0.361 nan 8.370 nan 0.000 0.505 184 I N 0.689 121.053 120.570 -0.343 0.000 2.656 184 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 184 I C -1.201 174.701 176.117 -0.359 0.000 1.144 184 I CA -0.806 60.262 61.300 -0.387 0.000 1.038 184 I CB 3.345 41.075 38.000 -0.450 0.000 1.244 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.653 125.324 119.914 -0.404 0.000 2.569 185 V HA 0.396 4.516 4.120 -0.000 0.000 0.301 185 V C -0.789 175.072 176.094 -0.389 0.000 1.044 185 V CA -0.590 61.523 62.300 -0.313 0.000 0.874 185 V CB 1.834 33.540 31.823 -0.196 0.000 1.002 185 V HN 0.382 nan 8.190 nan 0.000 0.424 186 F N 3.435 123.283 119.950 -0.170 0.000 2.445 186 F HA 0.698 5.225 4.527 -0.000 0.000 0.359 186 F C 0.727 176.429 175.800 -0.163 0.000 1.101 186 F CA -0.030 57.855 58.000 -0.193 0.000 1.177 186 F CB 1.187 40.035 39.000 -0.254 0.000 1.110 186 F HN 0.577 nan 8.300 nan 0.000 0.522 187 A N 2.525 125.336 122.820 -0.014 0.000 2.386 187 A HA 0.947 5.267 4.320 -0.000 0.000 0.311 187 A C -0.004 177.554 177.584 -0.043 0.000 1.068 187 A CA 0.081 52.093 52.037 -0.043 0.000 0.743 187 A CB 1.468 20.416 19.000 -0.086 0.000 1.258 187 A HN 1.016 nan 8.150 nan 0.000 0.429 188 G N -0.310 108.471 108.800 -0.032 0.000 2.512 188 G HA2 0.734 4.694 3.960 -0.000 0.000 0.181 188 G HA3 0.734 4.694 3.960 -0.000 0.000 0.181 188 G C -0.087 174.807 174.900 -0.011 0.000 1.173 188 G CA 0.486 45.564 45.100 -0.037 0.000 0.988 188 G HN 2.421 nan 8.290 nan 0.000 0.485 189 G N -2.175 106.623 108.800 -0.003 0.000 2.315 189 G HA2 0.780 4.740 3.960 -0.000 0.000 0.294 189 G HA3 0.780 4.740 3.960 -0.000 0.000 0.294 189 G C -0.463 174.462 174.900 0.042 0.000 1.300 189 G CA 0.782 45.896 45.100 0.025 0.000 0.843 189 G HN 2.162 nan 8.290 nan 0.000 0.527 190 G N -1.370 107.470 108.800 0.067 0.000 2.649 190 G HA2 0.719 4.679 3.960 -0.000 0.000 0.290 190 G HA3 0.719 4.679 3.960 -0.000 0.000 0.290 190 G C -1.927 173.039 174.900 0.110 0.000 1.426 190 G CA -0.149 45.019 45.100 0.113 0.000 0.794 190 G HN 0.805 nan 8.290 nan 0.000 0.483 191 E N -0.396 119.901 120.200 0.163 0.000 2.347 191 E HA 0.356 4.706 4.350 -0.000 0.000 0.285 191 E C -0.247 176.468 176.600 0.191 0.000 0.925 191 E CA -0.652 55.821 56.400 0.121 0.000 0.779 191 E CB 1.496 31.228 29.700 0.053 0.000 1.233 191 E HN 0.715 nan 8.360 nan 0.000 0.414 192 E N 2.884 123.160 120.200 0.128 0.000 2.369 192 E HA 0.439 4.788 4.350 -0.000 0.000 0.255 192 E C -0.731 175.925 176.600 0.093 0.000 1.172 192 E CA -0.834 55.640 56.400 0.123 0.000 0.932 192 E CB 1.141 30.864 29.700 0.038 0.000 1.040 192 E HN 0.240 nan 8.360 nan 0.000 0.454 193 L N 1.632 122.888 121.223 0.055 0.000 2.404 193 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 193 L C -1.420 175.482 176.870 0.053 0.000 0.980 193 L CA -0.301 54.537 54.840 -0.004 0.000 0.836 193 L CB 1.031 42.954 42.059 -0.226 0.000 1.238 193 L HN 0.950 nan 8.230 nan 0.000 0.408 194 C N 1.900 121.291 119.300 0.151 0.000 3.307 194 C HA 0.440 4.900 4.460 -0.000 0.000 0.333 194 C C 1.069 176.164 174.990 0.175 0.000 1.291 194 C CA -0.902 58.213 59.018 0.162 0.000 1.273 194 C CB 0.646 28.349 27.740 -0.063 0.000 1.580 194 C HN 1.062 nan 8.230 nan 0.000 0.481 195 W N 0.886 122.294 121.300 0.181 0.000 2.374 195 W HA 0.011 4.671 4.660 -0.000 0.000 0.288 195 W C 1.030 177.614 176.519 0.109 0.000 1.218 195 W CA 1.858 59.277 57.345 0.124 0.000 1.245 195 W CB -1.032 28.463 29.460 0.057 0.000 1.126 195 W HN 0.877 nan 8.180 nan 0.000 0.545 196 E N 0.741 120.343 120.200 -0.996 0.000 2.130 196 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 196 E C 2.337 178.781 176.600 -0.260 0.000 0.998 196 E CA 2.627 58.457 56.400 -0.949 0.000 0.806 196 E CB -0.603 28.565 29.700 -0.886 0.000 0.738 196 E HN 0.366 nan 8.360 nan 0.000 0.459 197 M N -0.821 118.726 119.600 -0.089 0.000 2.429 197 M HA 0.133 4.613 4.480 -0.000 0.000 0.265 197 M C 2.069 178.527 176.300 0.262 0.000 1.120 197 M CA 1.049 56.401 55.300 0.088 0.000 1.173 197 M CB 0.148 32.824 32.600 0.126 0.000 1.343 197 M HN 0.165 nan 8.290 nan 0.000 0.464 198 A N 0.589 123.581 122.820 0.286 0.000 1.940 198 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 198 A C 2.328 180.117 177.584 0.343 0.000 1.176 198 A CA 1.793 54.052 52.037 0.371 0.000 0.631 198 A CB -1.712 17.476 19.000 0.314 0.000 0.814 198 A HN 0.868 nan 8.150 nan 0.000 0.446 199 C N -0.792 118.682 119.300 0.289 0.000 2.411 199 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 199 C C 2.173 177.264 174.990 0.168 0.000 1.288 199 C CA 1.237 60.401 59.018 0.244 0.000 1.764 199 C CB -1.501 26.426 27.740 0.311 0.000 1.974 199 C HN 0.591 nan 8.230 nan 0.000 0.498 200 E N 0.539 120.808 120.200 0.116 0.000 2.150 200 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 200 E C 1.706 178.262 176.600 -0.074 0.000 0.985 200 E CA 1.318 57.704 56.400 -0.024 0.000 0.814 200 E CB -0.370 29.241 29.700 -0.149 0.000 0.752 200 E HN 0.799 nan 8.360 nan 0.000 0.466 201 F N 0.297 120.313 119.950 0.110 0.000 2.234 201 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 201 F C 2.115 177.931 175.800 0.027 0.000 1.089 201 F CA 0.945 59.004 58.000 0.098 0.000 1.343 201 F CB -0.097 38.956 39.000 0.089 0.000 1.040 201 F HN -0.005 nan 8.300 nan 0.000 0.498 202 D N 0.339 120.861 120.400 0.204 0.000 2.144 202 D HA -0.128 4.511 4.640 -0.000 0.000 0.200 202 D C 2.235 178.581 176.300 0.077 0.000 0.978 202 D CA 1.213 55.276 54.000 0.105 0.000 0.833 202 D CB -0.184 40.678 40.800 0.104 0.000 0.961 202 D HN 0.159 nan 8.370 nan 0.000 0.470 203 A N 0.654 123.521 122.820 0.078 0.000 2.070 203 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 203 A C 2.165 179.771 177.584 0.038 0.000 1.159 203 A CA 1.611 53.678 52.037 0.050 0.000 0.656 203 A CB -0.736 18.290 19.000 0.043 0.000 0.800 203 A HN 0.518 nan 8.150 nan 0.000 0.453 204 M N -3.051 116.579 119.600 0.050 0.000 2.419 204 M HA 0.467 4.947 4.480 -0.000 0.000 0.252 204 M C 0.960 177.295 176.300 0.058 0.000 1.143 204 M CA 0.526 55.853 55.300 0.045 0.000 0.985 204 M CB -0.014 32.615 32.600 0.047 0.000 1.489 204 M HN 0.527 nan 8.290 nan 0.000 0.484 205 G N 1.163 109.995 108.800 0.052 0.000 2.249 205 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 205 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 205 G C 0.688 175.608 174.900 0.034 0.000 1.036 205 G CA 0.412 45.533 45.100 0.034 0.000 0.824 205 G HN 0.802 nan 8.290 nan 0.000 0.504 206 A N -1.082 121.764 122.820 0.043 0.000 2.195 206 A HA 0.651 4.971 4.320 -0.000 0.000 0.210 206 A C 1.222 178.595 177.584 -0.353 0.000 1.165 206 A CA 0.569 52.596 52.037 -0.017 0.000 0.806 206 A CB 0.214 19.340 19.000 0.211 0.000 0.847 206 A HN 0.621 nan 8.150 nan 0.000 0.482 207 L N -0.011 121.038 121.223 -0.289 0.000 2.343 207 L HA 0.366 4.706 4.340 -0.000 0.000 0.275 207 L C 0.712 177.508 176.870 -0.123 0.000 1.056 207 L CA -0.609 54.032 54.840 -0.332 0.000 0.804 207 L CB 1.597 43.530 42.059 -0.210 0.000 1.203 207 L HN 0.150 nan 8.230 nan 0.000 0.440 208 S N 0.189 115.853 115.700 -0.060 0.000 2.549 208 S HA 0.125 4.595 4.470 -0.000 0.000 0.286 208 S C 0.778 175.386 174.600 0.013 0.000 1.314 208 S CA 0.231 58.457 58.200 0.043 0.000 1.062 208 S CB 0.422 63.705 63.200 0.138 0.000 0.865 208 S HN 0.839 nan 8.310 nan 0.000 0.498 209 T N 1.356 115.900 114.554 -0.016 0.000 3.009 209 T HA 0.321 4.670 4.350 -0.000 0.000 0.267 209 T C 0.870 175.480 174.700 -0.150 0.000 0.942 209 T CA -0.448 61.598 62.100 -0.091 0.000 0.883 209 T CB -0.116 68.692 68.868 -0.100 0.000 1.192 209 T HN 0.603 nan 8.240 nan 0.000 0.524 210 K N 0.362 120.626 120.400 -0.227 0.000 2.444 210 K HA 0.215 4.535 4.320 -0.000 0.000 0.193 210 K C -0.270 175.932 176.600 -0.664 0.000 1.024 210 K CA 0.434 56.432 56.287 -0.482 0.000 1.077 210 K CB 0.069 32.156 32.500 -0.688 0.000 0.833 210 K HN 0.509 nan 8.250 nan 0.000 0.517 211 Y N -0.246 120.054 120.300 -0.000 0.000 2.715 211 Y HA 0.208 4.758 4.550 -0.000 0.000 0.255 211 Y C 0.827 176.748 175.900 0.034 0.000 1.139 211 Y CA -0.691 57.419 58.100 0.017 0.000 1.151 211 Y CB 0.134 38.611 38.460 0.029 0.000 1.201 211 Y HN -0.005 nan 8.280 nan 0.000 0.556 212 N N 0.726 119.488 118.700 0.103 0.000 2.289 212 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 212 N C 0.969 176.576 175.510 0.162 0.000 1.016 212 N CA 1.389 54.530 53.050 0.153 0.000 0.872 212 N CB 0.057 38.600 38.487 0.094 0.000 0.973 212 N HN 0.513 nan 8.380 nan 0.000 0.433 213 D N -0.023 120.434 120.400 0.094 0.000 2.269 213 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 213 D C 0.527 176.866 176.300 0.066 0.000 0.963 213 D CA 0.946 54.974 54.000 0.046 0.000 0.864 213 D CB 0.166 40.980 40.800 0.023 0.000 0.936 213 D HN 0.335 nan 8.370 nan 0.000 0.505 214 T N -1.813 112.814 114.554 0.122 0.000 3.410 214 T HA 0.329 4.679 4.350 -0.000 0.000 0.328 214 T C -2.299 172.475 174.700 0.123 0.000 1.567 214 T CA -1.716 60.449 62.100 0.109 0.000 1.626 214 T CB 1.842 70.776 68.868 0.109 0.000 0.939 214 T HN -0.290 nan 8.240 nan 0.000 0.656 215 P HA -0.216 nan 4.420 nan 0.000 0.219 215 P C 1.346 178.703 177.300 0.094 0.000 1.161 215 P CA 1.518 64.706 63.100 0.146 0.000 0.909 215 P CB 0.118 31.923 31.700 0.176 0.000 0.793 216 E N -0.894 119.345 120.200 0.065 0.000 2.401 216 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 216 E C 1.313 177.902 176.600 -0.018 0.000 1.023 216 E CA 0.772 57.189 56.400 0.029 0.000 0.859 216 E CB -0.254 29.460 29.700 0.023 0.000 0.780 216 E HN 0.406 nan 8.360 nan 0.000 0.523 217 K N -0.578 119.794 120.400 -0.047 0.000 2.358 217 K HA 0.226 4.546 4.320 -0.000 0.000 0.200 217 K C 1.707 178.102 176.600 -0.342 0.000 1.030 217 K CA 0.288 56.474 56.287 -0.167 0.000 1.097 217 K CB 0.791 33.190 32.500 -0.168 0.000 0.862 217 K HN -0.023 nan 8.250 nan 0.000 0.534 218 A N 1.413 124.136 122.820 -0.161 0.000 1.877 218 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 218 A C 1.425 178.956 177.584 -0.088 0.000 1.186 218 A CA 1.202 53.184 52.037 -0.092 0.000 0.620 218 A CB -0.158 18.920 19.000 0.129 0.000 0.822 218 A HN 0.167 nan 8.150 nan 0.000 0.443 219 S N 0.367 116.042 115.700 -0.041 0.000 2.439 219 S HA 0.436 4.906 4.470 -0.000 0.000 0.282 219 S C 0.244 174.799 174.600 -0.074 0.000 1.170 219 S CA -0.574 57.613 58.200 -0.021 0.000 1.054 219 S CB -0.126 63.079 63.200 0.009 0.000 0.956 219 S HN 0.498 nan 8.310 nan 0.000 0.490 220 R N 2.538 122.992 120.500 -0.076 0.000 2.627 220 R HA 0.218 4.558 4.340 -0.000 0.000 0.251 220 R C -0.659 175.597 176.300 -0.073 0.000 1.524 220 R CA -0.652 55.401 56.100 -0.079 0.000 1.606 220 R CB -0.843 29.389 30.300 -0.112 0.000 1.396 220 R HN 0.404 nan 8.270 nan 0.000 0.724 221 T N 2.041 116.506 114.554 -0.148 0.000 2.867 221 T HA -0.115 4.235 4.350 -0.000 0.000 0.290 221 T C -0.027 174.502 174.700 -0.285 0.000 1.025 221 T CA 1.032 62.918 62.100 -0.357 0.000 1.146 221 T CB -0.119 68.407 68.868 -0.570 0.000 1.024 221 T HN 0.568 nan 8.240 nan 0.000 0.519 222 Y N -1.314 119.007 120.300 0.036 0.000 4.894 222 Y HA -0.213 4.337 4.550 -0.000 0.000 0.270 222 Y C 0.736 176.664 175.900 0.046 0.000 0.930 222 Y CA 0.532 58.655 58.100 0.039 0.000 1.814 222 Y CB -2.215 36.264 38.460 0.031 0.000 1.235 222 Y HN 0.773 nan 8.280 nan 0.000 0.480 223 D N 0.591 121.081 120.400 0.150 0.000 2.350 223 D HA 0.553 5.193 4.640 -0.000 0.000 0.249 223 D C 1.280 177.671 176.300 0.153 0.000 1.119 223 D CA 0.794 54.879 54.000 0.141 0.000 0.886 223 D CB 1.295 42.153 40.800 0.097 0.000 1.195 223 D HN 0.280 nan 8.370 nan 0.000 0.437 224 A N 3.369 126.298 122.820 0.182 0.000 2.084 224 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 224 A C 1.049 178.605 177.584 -0.046 0.000 1.161 224 A CA 1.453 53.547 52.037 0.095 0.000 0.653 224 A CB -0.551 18.517 19.000 0.114 0.000 0.802 224 A HN 0.750 nan 8.150 nan 0.000 0.457 225 H N -0.435 118.692 119.070 0.096 0.000 2.488 225 H HA 0.206 4.762 4.556 -0.000 0.000 0.294 225 H C 0.509 175.947 175.328 0.182 0.000 1.088 225 H CA -0.259 55.870 56.048 0.135 0.000 1.086 225 H CB -0.087 29.775 29.762 0.167 0.000 1.569 225 H HN 0.625 nan 8.280 nan 0.000 0.548 226 R N 1.147 121.759 120.500 0.187 0.000 2.694 226 R HA 0.084 4.424 4.340 -0.000 0.000 0.268 226 R C -0.468 175.934 176.300 0.170 0.000 1.061 226 R CA 0.212 56.409 56.100 0.162 0.000 1.133 226 R CB 0.529 30.879 30.300 0.084 0.000 1.020 226 R HN 0.202 nan 8.270 nan 0.000 0.475 227 D N 0.197 120.710 120.400 0.188 0.000 2.865 227 D HA 0.229 4.869 4.640 -0.000 0.000 0.347 227 D C 0.012 176.367 176.300 0.091 0.000 1.498 227 D CA -0.005 54.073 54.000 0.130 0.000 0.787 227 D CB 0.410 41.282 40.800 0.121 0.000 1.190 227 D HN 0.919 nan 8.370 nan 0.000 0.445 228 G N 0.366 109.224 108.800 0.096 0.000 2.406 228 G HA2 0.241 4.201 3.960 -0.000 0.000 0.680 228 G HA3 0.241 4.201 3.960 -0.000 0.000 0.680 228 G C -0.600 174.356 174.900 0.093 0.000 1.338 228 G CA -0.695 44.438 45.100 0.055 0.000 0.941 228 G HN 0.305 nan 8.290 nan 0.000 0.633 229 F N -0.579 119.425 119.950 0.090 0.000 2.368 229 F HA 0.824 5.351 4.527 -0.000 0.000 0.315 229 F C 0.279 176.118 175.800 0.064 0.000 1.145 229 F CA -1.538 56.499 58.000 0.063 0.000 1.095 229 F CB 1.124 40.176 39.000 0.086 0.000 1.286 229 F HN 0.401 nan 8.300 nan 0.000 0.530 230 V N 3.801 123.946 119.914 0.386 0.000 2.370 230 V HA 0.268 4.388 4.120 -0.000 0.000 0.283 230 V C 0.214 176.530 176.094 0.369 0.000 1.023 230 V CA -0.861 61.600 62.300 0.269 0.000 0.857 230 V CB 1.134 33.070 31.823 0.189 0.000 0.985 230 V HN 0.842 nan 8.190 nan 0.000 0.443 231 I N 4.626 125.384 120.570 0.312 0.000 2.634 231 I HA 0.550 4.719 4.170 -0.000 0.000 0.284 231 I C 0.472 176.687 176.117 0.165 0.000 1.124 231 I CA 0.444 61.887 61.300 0.238 0.000 1.417 231 I CB 0.947 39.047 38.000 0.166 0.000 1.396 231 I HN 0.807 nan 8.210 nan 0.000 0.571 232 A N 4.820 127.671 122.820 0.052 0.000 2.583 232 A HA 0.897 5.217 4.320 -0.000 0.000 0.289 232 A C -0.630 176.911 177.584 -0.072 0.000 1.151 232 A CA -0.118 51.908 52.037 -0.018 0.000 0.695 232 A CB 1.314 20.310 19.000 -0.008 0.000 1.290 232 A HN 0.818 nan 8.150 nan 0.000 0.419 233 G N -2.025 106.692 108.800 -0.138 0.000 3.015 233 G HA2 0.934 4.894 3.960 -0.000 0.000 0.281 233 G HA3 0.934 4.894 3.960 -0.000 0.000 0.281 233 G C -0.015 174.737 174.900 -0.247 0.000 1.386 233 G CA -0.266 44.763 45.100 -0.119 0.000 0.959 233 G HN 2.362 nan 8.290 nan 0.000 0.522 234 G N -2.314 106.298 108.800 -0.314 0.000 2.325 234 G HA2 0.604 4.564 3.960 -0.000 0.000 0.285 234 G HA3 0.604 4.564 3.960 -0.000 0.000 0.285 234 G C -0.277 174.543 174.900 -0.134 0.000 1.303 234 G CA 0.218 44.993 45.100 -0.540 0.000 0.970 234 G HN 2.046 nan 8.290 nan 0.000 0.490 235 G N -1.912 106.827 108.800 -0.101 0.000 2.682 235 G HA2 1.031 4.991 3.960 -0.000 0.000 0.290 235 G HA3 1.031 4.991 3.960 -0.000 0.000 0.290 235 G C -0.341 174.535 174.900 -0.039 0.000 1.425 235 G CA 0.399 45.510 45.100 0.018 0.000 0.807 235 G HN 2.187 nan 8.290 nan 0.000 0.482 236 G N -0.746 108.032 108.800 -0.037 0.000 2.667 236 G HA2 0.612 4.572 3.960 -0.000 0.000 0.294 236 G HA3 0.612 4.572 3.960 -0.000 0.000 0.294 236 G C -1.349 173.510 174.900 -0.069 0.000 1.467 236 G CA -0.600 44.453 45.100 -0.079 0.000 0.852 236 G HN 0.571 nan 8.290 nan 0.000 0.521 237 M N 0.705 120.256 119.600 -0.082 0.000 2.413 237 M HA 0.569 5.049 4.480 -0.000 0.000 0.287 237 M C -0.444 175.808 176.300 -0.080 0.000 1.186 237 M CA -0.891 54.367 55.300 -0.070 0.000 0.927 237 M CB 1.520 34.078 32.600 -0.071 0.000 1.715 237 M HN 1.045 nan 8.290 nan 0.000 0.478 238 V N -0.028 119.842 119.914 -0.074 0.000 2.876 238 V HA 0.837 4.957 4.120 -0.000 0.000 0.312 238 V C -0.744 175.291 176.094 -0.098 0.000 1.085 238 V CA -0.879 61.362 62.300 -0.099 0.000 0.945 238 V CB 2.028 33.770 31.823 -0.135 0.000 1.017 238 V HN 0.551 nan 8.190 nan 0.000 0.428 239 V N 3.955 123.795 119.914 -0.124 0.000 2.334 239 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 239 V C 0.190 176.146 176.094 -0.229 0.000 1.040 239 V CA -0.318 61.826 62.300 -0.260 0.000 0.866 239 V CB 1.079 32.757 31.823 -0.243 0.000 1.019 239 V HN 0.739 nan 8.190 nan 0.000 0.468 240 V N 5.216 124.971 119.914 -0.266 0.000 2.432 240 V HA 0.465 4.585 4.120 -0.000 0.000 0.275 240 V C 0.099 176.056 176.094 -0.229 0.000 1.043 240 V CA -0.253 61.926 62.300 -0.202 0.000 0.925 240 V CB 1.321 33.035 31.823 -0.182 0.000 0.985 240 V HN 0.966 nan 8.190 nan 0.000 0.466 241 E N 2.657 122.758 120.200 -0.166 0.000 2.367 241 E HA 0.335 4.685 4.350 -0.000 0.000 0.273 241 E C -0.864 175.674 176.600 -0.103 0.000 0.903 241 E CA -0.754 55.548 56.400 -0.163 0.000 0.764 241 E CB 1.899 31.523 29.700 -0.127 0.000 1.252 241 E HN 0.695 nan 8.360 nan 0.000 0.446 242 E N 3.418 123.556 120.200 -0.104 0.000 2.384 242 E HA -0.024 4.326 4.350 -0.000 0.000 0.266 242 E C 0.778 177.382 176.600 0.007 0.000 1.012 242 E CA -0.094 56.280 56.400 -0.044 0.000 0.901 242 E CB 1.152 30.827 29.700 -0.041 0.000 0.967 242 E HN 0.617 nan 8.360 nan 0.000 0.435 243 L N 5.531 126.755 121.223 0.001 0.000 1.971 243 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 243 L C 1.911 178.794 176.870 0.022 0.000 1.072 243 L CA 1.962 56.806 54.840 0.005 0.000 0.758 243 L CB -0.423 41.633 42.059 -0.004 0.000 0.889 243 L HN 0.554 nan 8.230 nan 0.000 0.433 244 E N -0.986 119.231 120.200 0.029 0.000 2.118 244 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 244 E C 2.226 178.850 176.600 0.039 0.000 0.992 244 E CA 1.389 57.804 56.400 0.025 0.000 0.804 244 E CB -0.710 29.004 29.700 0.023 0.000 0.741 244 E HN 0.683 nan 8.360 nan 0.000 0.458 245 H N 0.416 119.469 119.070 -0.027 0.000 2.387 245 H HA 0.011 4.567 4.556 -0.000 0.000 0.299 245 H C 1.778 177.088 175.328 -0.031 0.000 1.090 245 H CA 1.606 57.637 56.048 -0.028 0.000 1.332 245 H CB 0.247 29.989 29.762 -0.034 0.000 1.386 245 H HN 0.125 nan 8.280 nan 0.000 0.516 246 A N 1.091 123.981 122.820 0.117 0.000 1.897 246 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 246 A C 2.863 180.439 177.584 -0.013 0.000 1.181 246 A CA 0.857 52.926 52.037 0.054 0.000 0.620 246 A CB -0.765 18.252 19.000 0.028 0.000 0.821 246 A HN 0.388 nan 8.150 nan 0.000 0.443 247 L N -0.593 120.620 121.223 -0.017 0.000 2.046 247 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 247 L C 3.057 179.900 176.870 -0.045 0.000 1.077 247 L CA 1.147 55.970 54.840 -0.029 0.000 0.747 247 L CB -0.566 41.479 42.059 -0.023 0.000 0.896 247 L HN 0.437 nan 8.230 nan 0.000 0.432 248 A N 0.782 123.562 122.820 -0.067 0.000 2.019 248 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 248 A C 2.191 179.715 177.584 -0.099 0.000 1.164 248 A CA 1.623 53.608 52.037 -0.088 0.000 0.644 248 A CB -0.511 18.417 19.000 -0.119 0.000 0.805 248 A HN 0.590 nan 8.150 nan 0.000 0.449 249 R N -1.283 119.151 120.500 -0.111 0.000 2.427 249 R HA 0.355 4.695 4.340 -0.000 0.000 0.262 249 R C 0.912 177.188 176.300 -0.041 0.000 0.943 249 R CA 0.584 56.632 56.100 -0.086 0.000 1.081 249 R CB -0.672 29.564 30.300 -0.107 0.000 1.166 249 R HN 0.659 nan 8.270 nan 0.000 0.534 250 G N 0.868 109.647 108.800 -0.035 0.000 2.249 250 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.273 250 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.273 250 G C 0.322 175.219 174.900 -0.004 0.000 1.036 250 G CA 0.266 45.355 45.100 -0.018 0.000 0.824 250 G HN 0.724 nan 8.290 nan 0.000 0.504 251 A N -0.442 122.375 122.820 -0.005 0.000 2.366 251 A HA 0.576 4.896 4.320 -0.000 0.000 0.249 251 A C 0.421 178.011 177.584 0.010 0.000 1.084 251 A CA 0.360 52.404 52.037 0.012 0.000 0.794 251 A CB 0.307 19.312 19.000 0.010 0.000 1.034 251 A HN 1.394 nan 8.150 nan 0.000 0.491 252 H N 0.746 119.766 119.070 -0.082 0.000 2.668 252 H HA 0.529 5.085 4.556 -0.000 0.000 0.303 252 H C -0.760 174.461 175.328 -0.179 0.000 1.074 252 H CA -0.390 55.565 56.048 -0.155 0.000 1.406 252 H CB 0.155 29.785 29.762 -0.220 0.000 1.442 252 H HN 0.416 nan 8.280 nan 0.000 0.482 253 I N 7.074 127.245 120.570 -0.665 0.000 2.330 253 I HA 0.028 4.198 4.170 -0.000 0.000 0.289 253 I C 0.053 175.784 176.117 -0.643 0.000 1.001 253 I CA -0.477 60.529 61.300 -0.490 0.000 1.193 253 I CB 0.932 38.800 38.000 -0.220 0.000 1.345 253 I HN 0.756 nan 8.210 nan 0.000 0.461 254 Y N 5.168 125.221 120.300 -0.411 0.000 2.184 254 Y HA 0.192 4.742 4.550 -0.000 0.000 0.290 254 Y C 1.254 177.065 175.900 -0.147 0.000 1.129 254 Y CA 0.988 58.941 58.100 -0.245 0.000 1.144 254 Y CB 0.143 38.532 38.460 -0.118 0.000 0.995 254 Y HN 0.672 nan 8.280 nan 0.000 0.513 255 A N -0.832 122.015 122.820 0.045 0.000 2.522 255 A HA 0.393 4.713 4.320 -0.000 0.000 0.291 255 A C -1.495 176.084 177.584 -0.007 0.000 1.039 255 A CA -0.852 51.190 52.037 0.009 0.000 0.643 255 A CB 0.586 19.603 19.000 0.028 0.000 1.310 255 A HN 0.066 nan 8.150 nan 0.000 0.436 256 E N 0.459 120.653 120.200 -0.010 0.000 2.204 256 E HA 0.619 4.969 4.350 -0.000 0.000 0.276 256 E C -1.091 175.506 176.600 -0.006 0.000 0.974 256 E CA -0.627 55.766 56.400 -0.013 0.000 0.815 256 E CB 0.896 30.589 29.700 -0.011 0.000 1.119 256 E HN 0.492 nan 8.360 nan 0.000 0.393 257 I N 5.776 126.339 120.570 -0.011 0.000 2.281 257 I HA 0.048 4.218 4.170 -0.000 0.000 0.293 257 I C 1.024 177.151 176.117 0.017 0.000 1.085 257 I CA -0.341 60.957 61.300 -0.003 0.000 1.257 257 I CB 0.864 38.851 38.000 -0.023 0.000 1.430 257 I HN 0.489 nan 8.210 nan 0.000 0.489 258 V N 2.532 122.463 119.914 0.028 0.000 3.647 258 V HA 0.497 4.617 4.120 -0.000 0.000 0.279 258 V C 0.715 176.844 176.094 0.058 0.000 1.314 258 V CA 0.132 62.453 62.300 0.035 0.000 1.125 258 V CB -0.109 31.729 31.823 0.025 0.000 0.907 258 V HN 0.728 nan 8.190 nan 0.000 0.434 259 G N -0.488 108.360 108.800 0.080 0.000 2.759 259 G HA2 0.537 4.497 3.960 -0.000 0.000 0.297 259 G HA3 0.537 4.497 3.960 -0.000 0.000 0.297 259 G C -2.316 172.693 174.900 0.181 0.000 1.434 259 G CA -0.569 44.597 45.100 0.111 0.000 0.980 259 G HN 0.347 nan 8.290 nan 0.000 0.531 260 Y N 1.173 121.492 120.300 0.031 0.000 2.330 260 Y HA 0.679 5.229 4.550 -0.000 0.000 0.324 260 Y C -0.204 175.722 175.900 0.042 0.000 1.093 260 Y CA -1.137 56.980 58.100 0.029 0.000 1.103 260 Y CB 1.757 40.234 38.460 0.029 0.000 1.183 260 Y HN 0.862 nan 8.280 nan 0.000 0.433 261 G N 3.165 111.827 108.800 -0.230 0.000 2.461 261 G HA2 0.750 4.710 3.960 -0.000 0.000 0.323 261 G HA3 0.750 4.710 3.960 -0.000 0.000 0.323 261 G C -1.688 172.986 174.900 -0.375 0.000 1.229 261 G CA -0.621 44.290 45.100 -0.315 0.000 0.941 261 G HN 1.141 nan 8.290 nan 0.000 0.477 262 A N 1.671 124.293 122.820 -0.331 0.000 2.446 262 A HA 0.858 5.178 4.320 -0.000 0.000 0.282 262 A C 0.008 177.578 177.584 -0.023 0.000 1.102 262 A CA -0.113 51.880 52.037 -0.072 0.000 0.737 262 A CB 1.240 20.195 19.000 -0.075 0.000 1.212 262 A HN 1.522 nan 8.150 nan 0.000 0.434 263 T N -1.425 113.160 114.554 0.052 0.000 2.804 263 T HA 0.860 5.210 4.350 -0.000 0.000 0.290 263 T C -0.274 174.452 174.700 0.043 0.000 1.099 263 T CA -0.512 61.599 62.100 0.018 0.000 1.011 263 T CB 1.740 70.605 68.868 -0.006 0.000 1.291 263 T HN 1.280 nan 8.240 nan 0.000 0.523 264 S N -1.057 114.650 115.700 0.012 0.000 2.536 264 S HA 0.477 4.947 4.470 -0.000 0.000 0.287 264 S C -0.238 174.357 174.600 -0.008 0.000 1.101 264 S CA -0.608 57.600 58.200 0.014 0.000 0.950 264 S CB 1.646 64.851 63.200 0.008 0.000 1.056 264 S HN 0.703 nan 8.310 nan 0.000 0.481 265 D N 2.538 122.933 120.400 -0.009 0.000 2.137 265 D HA 0.166 4.806 4.640 -0.000 0.000 0.202 265 D C 1.430 177.720 176.300 -0.018 0.000 0.970 265 D CA 1.488 55.472 54.000 -0.027 0.000 0.837 265 D CB -0.503 40.278 40.800 -0.032 0.000 0.981 265 D HN 1.034 nan 8.370 nan 0.000 0.475 266 G N 0.168 108.964 108.800 -0.007 0.000 2.295 266 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.287 266 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.287 266 G C 0.604 175.498 174.900 -0.010 0.000 1.055 266 G CA 0.902 45.998 45.100 -0.007 0.000 0.922 266 G HN 0.627 nan 8.290 nan 0.000 0.503 267 A N -0.890 121.924 122.820 -0.010 0.000 1.795 267 A HA 0.688 5.008 4.320 -0.000 0.000 0.182 267 A C 0.388 177.965 177.584 -0.012 0.000 2.073 267 A CA 1.057 53.087 52.037 -0.013 0.000 1.402 267 A CB 0.262 19.251 19.000 -0.019 0.000 0.977 267 A HN 0.524 nan 8.150 nan 0.000 0.648 268 D N -1.390 119.002 120.400 -0.013 0.000 2.181 268 D HA 0.492 5.132 4.640 -0.000 0.000 0.248 268 D C 0.764 177.051 176.300 -0.021 0.000 1.020 268 D CA -0.460 53.528 54.000 -0.020 0.000 0.891 268 D CB 1.409 42.195 40.800 -0.023 0.000 1.187 268 D HN 0.157 nan 8.370 nan 0.000 0.443 269 M N 2.380 121.955 119.600 -0.042 0.000 2.175 269 M HA 0.016 4.496 4.480 -0.000 0.000 0.264 269 M C 0.831 177.047 176.300 -0.141 0.000 1.063 269 M CA 1.521 56.788 55.300 -0.055 0.000 1.119 269 M CB 0.180 32.741 32.600 -0.064 0.000 1.377 269 M HN 0.442 nan 8.290 nan 0.000 0.415 270 V N -1.491 118.284 119.914 -0.231 0.000 3.307 270 V HA 0.402 4.522 4.120 -0.000 0.000 0.244 270 V C 0.714 176.710 176.094 -0.164 0.000 1.196 270 V CA 0.419 62.420 62.300 -0.498 0.000 1.132 270 V CB -0.105 31.358 31.823 -0.600 0.000 0.875 270 V HN 0.329 nan 8.190 nan 0.000 0.468 271 A N 2.242 125.033 122.820 -0.049 0.000 2.303 271 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 271 A C -2.570 175.039 177.584 0.041 0.000 1.149 271 A CA -1.539 50.522 52.037 0.040 0.000 0.822 271 A CB 0.370 19.385 19.000 0.026 0.000 1.131 271 A HN 0.199 nan 8.150 nan 0.000 0.493 272 P HA 0.133 nan 4.420 nan 0.000 0.278 272 P C 0.559 177.829 177.300 -0.050 0.000 1.238 272 P CA -0.063 63.019 63.100 -0.029 0.000 0.794 272 P CB 1.497 33.149 31.700 -0.080 0.000 0.955 273 S N 1.005 116.656 115.700 -0.082 0.000 2.478 273 S HA 0.165 4.635 4.470 -0.000 0.000 0.222 273 S C 1.625 176.178 174.600 -0.079 0.000 1.008 273 S CA 0.867 59.029 58.200 -0.064 0.000 0.928 273 S CB -0.971 62.195 63.200 -0.057 0.000 0.781 273 S HN 0.739 nan 8.310 nan 0.000 0.518 274 G N 1.877 110.595 108.800 -0.137 0.000 2.498 274 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.229 274 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.229 274 G C 0.936 175.764 174.900 -0.120 0.000 1.156 274 G CA 0.561 45.582 45.100 -0.131 0.000 0.680 274 G HN 0.474 nan 8.290 nan 0.000 0.512 275 E N 1.746 121.892 120.200 -0.089 0.000 2.077 275 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 275 E C 2.642 179.191 176.600 -0.084 0.000 0.989 275 E CA 2.201 58.559 56.400 -0.071 0.000 0.800 275 E CB -0.933 28.735 29.700 -0.053 0.000 0.746 275 E HN 0.642 nan 8.360 nan 0.000 0.452 276 G N 0.664 109.400 108.800 -0.107 0.000 2.408 276 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 276 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 276 G C 1.717 176.544 174.900 -0.121 0.000 1.150 276 G CA 1.152 46.191 45.100 -0.101 0.000 0.776 276 G HN 0.417 nan 8.290 nan 0.000 0.542 277 A N 0.157 122.840 122.820 -0.228 0.000 1.930 277 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 277 A C 2.587 180.147 177.584 -0.040 0.000 1.175 277 A CA 1.649 53.552 52.037 -0.223 0.000 0.627 277 A CB -0.529 18.165 19.000 -0.510 0.000 0.815 277 A HN 0.229 nan 8.150 nan 0.000 0.443 278 V N 0.063 119.941 119.914 -0.060 0.000 2.261 278 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 278 V C 2.649 178.717 176.094 -0.043 0.000 1.047 278 V CA 2.331 64.606 62.300 -0.041 0.000 1.015 278 V CB -0.788 31.005 31.823 -0.049 0.000 0.642 278 V HN 0.535 nan 8.190 nan 0.000 0.446 279 R N -1.116 119.357 120.500 -0.046 0.000 2.096 279 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 279 R C 2.397 178.677 176.300 -0.034 0.000 1.127 279 R CA 1.694 57.767 56.100 -0.046 0.000 0.968 279 R CB -0.862 29.409 30.300 -0.048 0.000 0.861 279 R HN 0.569 nan 8.270 nan 0.000 0.440 280 C N 0.671 119.966 119.300 -0.008 0.000 2.453 280 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 280 C C 2.604 177.610 174.990 0.027 0.000 1.262 280 C CA 0.809 59.838 59.018 0.019 0.000 1.718 280 C CB -0.648 27.150 27.740 0.097 0.000 2.031 280 C HN 0.460 nan 8.230 nan 0.000 0.480 281 M N 0.151 119.780 119.600 0.048 0.000 2.117 281 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 281 M C 2.270 178.560 176.300 -0.018 0.000 1.065 281 M CA 1.756 57.081 55.300 0.041 0.000 1.114 281 M CB -0.476 32.159 32.600 0.059 0.000 1.361 281 M HN 0.376 nan 8.290 nan 0.000 0.408 282 K N 0.052 120.421 120.400 -0.052 0.000 2.097 282 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 282 K C 1.997 178.588 176.600 -0.014 0.000 1.049 282 K CA 1.380 57.631 56.287 -0.059 0.000 0.933 282 K CB -0.243 32.215 32.500 -0.069 0.000 0.717 282 K HN 0.365 nan 8.250 nan 0.000 0.442 283 M N 0.614 120.198 119.600 -0.027 0.000 2.086 283 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 283 M C 2.117 178.427 176.300 0.016 0.000 1.067 283 M CA 1.765 57.046 55.300 -0.032 0.000 1.116 283 M CB -0.098 32.456 32.600 -0.076 0.000 1.348 283 M HN 0.163 nan 8.290 nan 0.000 0.407 284 A N 0.033 122.862 122.820 0.016 0.000 2.067 284 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 284 A C 1.904 179.529 177.584 0.068 0.000 1.158 284 A CA 1.408 53.475 52.037 0.049 0.000 0.661 284 A CB -0.606 18.429 19.000 0.060 0.000 0.801 284 A HN 0.656 nan 8.150 nan 0.000 0.452 285 M N -1.132 118.503 119.600 0.058 0.000 2.541 285 M HA 0.049 4.529 4.480 -0.000 0.000 0.252 285 M C 0.666 177.001 176.300 0.059 0.000 1.125 285 M CA 0.076 55.407 55.300 0.050 0.000 1.091 285 M CB -0.062 32.545 32.600 0.012 0.000 1.420 285 M HN 0.447 nan 8.290 nan 0.000 0.486 286 H N 0.848 119.910 119.070 -0.013 0.000 3.107 286 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 286 H C 1.034 176.362 175.328 -0.001 0.000 0.981 286 H CA 1.677 57.717 56.048 -0.013 0.000 1.443 286 H CB 0.458 30.210 29.762 -0.017 0.000 1.479 286 H HN 0.588 nan 8.280 nan 0.000 0.564 287 G N 3.931 112.480 108.800 -0.419 0.000 2.205 287 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.261 287 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.261 287 G C 0.204 175.037 174.900 -0.112 0.000 0.980 287 G CA 0.242 45.173 45.100 -0.281 0.000 0.632 287 G HN 0.606 nan 8.290 nan 0.000 0.533 288 V N 2.709 122.586 119.914 -0.062 0.000 2.389 288 V HA 0.357 4.477 4.120 -0.000 0.000 0.264 288 V C 1.048 177.132 176.094 -0.018 0.000 1.049 288 V CA 0.426 62.716 62.300 -0.018 0.000 0.932 288 V CB 1.232 33.065 31.823 0.015 0.000 1.011 288 V HN 0.486 nan 8.190 nan 0.000 0.475 289 D N 2.335 122.724 120.400 -0.018 0.000 2.319 289 D HA 0.008 4.648 4.640 -0.000 0.000 0.230 289 D C 0.708 177.011 176.300 0.004 0.000 1.094 289 D CA 0.027 54.020 54.000 -0.013 0.000 0.856 289 D CB -0.085 40.704 40.800 -0.018 0.000 0.915 289 D HN 0.589 nan 8.370 nan 0.000 0.517 290 T N -2.798 111.765 114.554 0.015 0.000 2.908 290 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 290 T C -2.766 171.960 174.700 0.044 0.000 1.034 290 T CA -1.817 60.298 62.100 0.025 0.000 1.010 290 T CB 2.321 71.203 68.868 0.023 0.000 1.068 290 T HN -0.162 nan 8.240 nan 0.000 0.481 291 P HA 0.351 nan 4.420 nan 0.000 0.276 291 P C -0.519 176.826 177.300 0.075 0.000 1.244 291 P CA -0.688 62.458 63.100 0.076 0.000 0.801 291 P CB 0.596 32.333 31.700 0.061 0.000 1.006 292 I N 2.888 123.520 120.570 0.104 0.000 2.379 292 I HA 0.018 4.188 4.170 -0.000 0.000 0.290 292 I C 1.313 177.422 176.117 -0.013 0.000 1.063 292 I CA 0.313 61.647 61.300 0.056 0.000 1.351 292 I CB 0.055 38.105 38.000 0.084 0.000 1.410 292 I HN 0.319 nan 8.210 nan 0.000 0.505 293 D N 5.096 125.506 120.400 0.017 0.000 2.183 293 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 293 D C 0.098 176.437 176.300 0.065 0.000 0.962 293 D CA 1.466 55.483 54.000 0.028 0.000 0.849 293 D CB 0.369 41.197 40.800 0.046 0.000 0.978 293 D HN 0.524 nan 8.370 nan 0.000 0.488 294 Y N 0.169 120.420 120.300 -0.081 0.000 2.504 294 Y HA 0.475 5.025 4.550 -0.000 0.000 0.344 294 Y C -1.968 173.881 175.900 -0.086 0.000 1.023 294 Y CA -1.155 56.890 58.100 -0.092 0.000 1.020 294 Y CB 1.448 39.857 38.460 -0.086 0.000 1.282 294 Y HN -0.232 nan 8.280 nan 0.000 0.454 295 L N 7.077 127.693 121.223 -1.011 0.000 2.372 295 L HA 0.484 4.824 4.340 -0.000 0.000 0.274 295 L C -1.180 175.079 176.870 -1.018 0.000 0.988 295 L CA -0.532 53.835 54.840 -0.787 0.000 0.833 295 L CB 0.945 42.753 42.059 -0.418 0.000 1.236 295 L HN 0.805 nan 8.230 nan 0.000 0.410 296 N N 3.630 121.893 118.700 -0.729 0.000 2.437 296 N HA 0.122 4.862 4.740 -0.000 0.000 0.243 296 N C -0.371 175.040 175.510 -0.165 0.000 1.041 296 N CA -0.196 52.660 53.050 -0.323 0.000 0.940 296 N CB 1.061 39.533 38.487 -0.025 0.000 1.133 296 N HN 0.720 nan 8.380 nan 0.000 0.506 297 S N 2.699 118.345 115.700 -0.089 0.000 2.600 297 S HA 0.008 4.478 4.470 -0.000 0.000 0.265 297 S C 1.312 175.883 174.600 -0.049 0.000 1.325 297 S CA -0.244 57.947 58.200 -0.016 0.000 1.002 297 S CB 1.233 64.510 63.200 0.127 0.000 0.921 297 S HN 0.746 nan 8.310 nan 0.000 0.554 298 H N 2.188 121.155 119.070 -0.172 0.000 2.357 298 H HA 0.140 4.696 4.556 -0.000 0.000 0.301 298 H C 1.521 176.739 175.328 -0.182 0.000 1.082 298 H CA 1.272 57.166 56.048 -0.256 0.000 1.342 298 H CB -1.095 28.462 29.762 -0.342 0.000 1.389 298 H HN 1.039 nan 8.280 nan 0.000 0.511 299 G N 0.880 109.596 108.800 -0.141 0.000 2.500 299 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.309 299 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.309 299 G C 1.017 175.669 174.900 -0.413 0.000 0.236 299 G CA 1.005 45.939 45.100 -0.276 0.000 1.128 299 G HN 0.778 nan 8.290 nan 0.000 0.495 300 T N -1.113 113.197 114.554 -0.406 0.000 3.100 300 T HA 0.359 4.709 4.350 -0.000 0.000 0.253 300 T C 1.328 175.981 174.700 -0.078 0.000 1.118 300 T CA 0.997 62.891 62.100 -0.343 0.000 1.058 300 T CB 0.276 68.944 68.868 -0.334 0.000 0.953 300 T HN 1.829 nan 8.240 nan 0.000 0.515 301 S N 0.774 116.412 115.700 -0.102 0.000 3.807 301 S HA -0.125 4.345 4.470 -0.000 0.000 0.304 301 S C 0.165 174.807 174.600 0.069 0.000 1.152 301 S CA 0.548 58.725 58.200 -0.039 0.000 0.852 301 S CB -2.134 61.061 63.200 -0.009 0.000 0.924 301 S HN 1.267 nan 8.310 nan 0.000 0.545 302 T N -1.122 113.489 114.554 0.095 0.000 2.888 302 T HA 0.706 5.056 4.350 -0.000 0.000 0.284 302 T C -1.500 173.265 174.700 0.109 0.000 1.017 302 T CA -1.644 60.541 62.100 0.143 0.000 1.022 302 T CB 1.747 70.752 68.868 0.229 0.000 1.013 302 T HN -0.064 nan 8.240 nan 0.000 0.465 303 P HA -0.151 nan 4.420 nan 0.000 0.214 303 P C 1.694 179.047 177.300 0.088 0.000 1.169 303 P CA 0.804 63.951 63.100 0.080 0.000 0.908 303 P CB -0.058 31.681 31.700 0.064 0.000 0.791 304 V N -0.465 119.506 119.914 0.096 0.000 2.283 304 V HA -0.113 4.007 4.120 -0.000 0.000 0.243 304 V C 2.605 178.770 176.094 0.119 0.000 1.039 304 V CA 2.436 64.793 62.300 0.095 0.000 1.016 304 V CB -1.979 29.895 31.823 0.085 0.000 0.650 304 V HN 0.184 nan 8.190 nan 0.000 0.449 305 G N -0.025 108.868 108.800 0.155 0.000 2.476 305 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 305 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 305 G C 1.202 176.217 174.900 0.192 0.000 1.164 305 G CA 1.298 46.516 45.100 0.196 0.000 0.768 305 G HN 0.498 nan 8.290 nan 0.000 0.560 306 D N 0.108 120.598 120.400 0.149 0.000 2.116 306 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 306 D C 2.919 179.367 176.300 0.246 0.000 0.998 306 D CA 1.878 55.971 54.000 0.155 0.000 0.836 306 D CB -0.612 40.227 40.800 0.065 0.000 0.951 306 D HN 0.364 nan 8.370 nan 0.000 0.449 307 V N -1.267 118.758 119.914 0.185 0.000 2.548 307 V HA -0.065 4.055 4.120 -0.000 0.000 0.249 307 V C 1.942 178.109 176.094 0.123 0.000 1.055 307 V CA 0.994 63.386 62.300 0.154 0.000 1.065 307 V CB -0.380 31.509 31.823 0.110 0.000 0.681 307 V HN -0.051 nan 8.190 nan 0.000 0.462 308 K N 0.955 121.423 120.400 0.112 0.000 2.057 308 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 308 K C 2.182 178.829 176.600 0.078 0.000 1.049 308 K CA 2.035 58.365 56.287 0.071 0.000 0.931 308 K CB -0.314 32.215 32.500 0.048 0.000 0.714 308 K HN 0.779 nan 8.250 nan 0.000 0.440 309 E N 0.984 121.274 120.200 0.151 0.000 2.072 309 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 309 E C 2.145 178.856 176.600 0.186 0.000 0.985 309 E CA 0.525 57.051 56.400 0.210 0.000 0.801 309 E CB 0.020 29.949 29.700 0.382 0.000 0.750 309 E HN 0.150 nan 8.360 nan 0.000 0.452 310 L N 0.538 121.868 121.223 0.179 0.000 2.042 310 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 310 L C 2.711 179.633 176.870 0.087 0.000 1.076 310 L CA 1.169 56.079 54.840 0.116 0.000 0.749 310 L CB -0.536 41.574 42.059 0.085 0.000 0.893 310 L HN 0.256 nan 8.230 nan 0.000 0.432 311 A N -0.076 122.790 122.820 0.077 0.000 1.902 311 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 311 A C 2.517 180.133 177.584 0.054 0.000 1.181 311 A CA 1.765 53.834 52.037 0.054 0.000 0.623 311 A CB -0.655 18.369 19.000 0.040 0.000 0.818 311 A HN 0.423 nan 8.150 nan 0.000 0.443 312 A N -0.081 122.774 122.820 0.058 0.000 1.898 312 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 312 A C 2.113 179.757 177.584 0.099 0.000 1.181 312 A CA 1.459 53.525 52.037 0.050 0.000 0.620 312 A CB -0.592 18.425 19.000 0.028 0.000 0.819 312 A HN 0.495 nan 8.150 nan 0.000 0.442 313 I N -1.118 119.547 120.570 0.159 0.000 2.208 313 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 313 I C 2.748 179.024 176.117 0.265 0.000 1.097 313 I CA 1.649 63.110 61.300 0.268 0.000 1.363 313 I CB -0.321 37.799 38.000 0.200 0.000 1.051 313 I HN 0.351 nan 8.210 nan 0.000 0.413 314 R N 0.889 121.476 120.500 0.145 0.000 2.081 314 R HA -0.193 4.147 4.340 -0.000 0.000 0.235 314 R C 2.202 178.553 176.300 0.086 0.000 1.131 314 R CA 1.606 57.772 56.100 0.110 0.000 0.960 314 R CB -0.089 30.248 30.300 0.062 0.000 0.856 314 R HN 0.391 nan 8.270 nan 0.000 0.436 315 E N -0.477 119.753 120.200 0.051 0.000 2.077 315 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 315 E C 1.944 178.524 176.600 -0.033 0.000 0.989 315 E CA 1.550 57.955 56.400 0.008 0.000 0.800 315 E CB 0.116 29.812 29.700 -0.007 0.000 0.746 315 E HN 0.190 nan 8.360 nan 0.000 0.452 316 V N 0.107 119.979 119.914 -0.071 0.000 2.379 316 V HA -0.185 3.934 4.120 -0.000 0.000 0.245 316 V C 1.687 177.527 176.094 -0.424 0.000 1.044 316 V CA 1.584 63.712 62.300 -0.285 0.000 1.036 316 V CB -0.330 31.223 31.823 -0.449 0.000 0.664 316 V HN 0.185 nan 8.190 nan 0.000 0.453 317 F N -0.296 119.658 119.950 0.006 0.000 2.582 317 F HA 0.514 5.041 4.527 -0.000 0.000 0.290 317 F C 1.734 177.535 175.800 0.002 0.000 1.115 317 F CA 0.740 58.742 58.000 0.003 0.000 1.445 317 F CB -0.335 38.665 39.000 -0.000 0.000 1.126 317 F HN 0.285 nan 8.300 nan 0.000 0.574 318 G N 0.838 109.728 108.800 0.151 0.000 2.539 318 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.256 318 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.256 318 G C 0.306 175.261 174.900 0.091 0.000 1.233 318 G CA 0.292 45.446 45.100 0.089 0.000 0.936 318 G HN 0.164 nan 8.290 nan 0.000 0.571 319 D N 0.810 121.247 120.400 0.062 0.000 2.378 319 D HA 0.044 4.684 4.640 -0.000 0.000 0.222 319 D C 1.361 177.690 176.300 0.047 0.000 0.980 319 D CA 1.031 55.058 54.000 0.045 0.000 0.907 319 D CB 0.170 40.988 40.800 0.031 0.000 0.899 319 D HN 0.320 nan 8.370 nan 0.000 0.527 320 K N 1.391 121.837 120.400 0.077 0.000 2.724 320 K HA 0.126 4.446 4.320 -0.000 0.000 0.198 320 K C -0.553 176.088 176.600 0.068 0.000 1.099 320 K CA -0.218 56.109 56.287 0.067 0.000 1.025 320 K CB 0.193 32.741 32.500 0.080 0.000 1.509 320 K HN 0.005 nan 8.250 nan 0.000 0.564 321 S N 1.705 117.401 115.700 -0.007 0.000 2.610 321 S HA 0.559 5.029 4.470 -0.000 0.000 0.273 321 S C -1.937 172.510 174.600 -0.255 0.000 1.274 321 S CA -0.928 57.169 58.200 -0.172 0.000 1.023 321 S CB 1.089 64.213 63.200 -0.127 0.000 0.962 321 S HN 0.321 nan 8.310 nan 0.000 0.523 322 P HA 0.398 nan 4.420 nan 0.000 0.279 322 P C -0.664 176.523 177.300 -0.189 0.000 1.276 322 P CA -0.650 62.270 63.100 -0.300 0.000 0.801 322 P CB 0.476 31.927 31.700 -0.414 0.000 1.127 323 A N 0.695 123.471 122.820 -0.073 0.000 2.477 323 A HA 0.426 4.746 4.320 -0.000 0.000 0.246 323 A C 0.295 177.878 177.584 -0.002 0.000 1.078 323 A CA -0.020 52.026 52.037 0.015 0.000 0.770 323 A CB -0.779 18.292 19.000 0.118 0.000 1.011 323 A HN 0.439 nan 8.150 nan 0.000 0.494 324 I N 1.562 122.127 120.570 -0.008 0.000 2.608 324 I HA 0.566 4.736 4.170 -0.000 0.000 0.295 324 I C 0.000 176.177 176.117 0.099 0.000 1.049 324 I CA -0.302 60.966 61.300 -0.053 0.000 1.063 324 I CB 2.531 40.458 38.000 -0.121 0.000 1.248 324 I HN 0.765 nan 8.210 nan 0.000 0.424 325 S N 3.542 119.340 115.700 0.163 0.000 2.543 325 S HA 0.791 5.261 4.470 -0.000 0.000 0.273 325 S C -1.082 173.637 174.600 0.199 0.000 1.152 325 S CA -0.793 57.547 58.200 0.233 0.000 0.910 325 S CB 1.850 65.213 63.200 0.271 0.000 1.105 325 S HN 0.811 nan 8.310 nan 0.000 0.465 326 A N 2.442 125.371 122.820 0.182 0.000 2.341 326 A HA 0.597 4.917 4.320 -0.000 0.000 0.326 326 A C 1.203 178.789 177.584 0.003 0.000 1.402 326 A CA -0.189 51.879 52.037 0.052 0.000 0.957 326 A CB -0.204 18.745 19.000 -0.085 0.000 1.151 326 A HN 1.403 nan 8.150 nan 0.000 0.533 327 T N -0.071 114.487 114.554 0.007 0.000 3.051 327 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 327 T C 1.304 175.957 174.700 -0.079 0.000 1.127 327 T CA 1.149 63.219 62.100 -0.050 0.000 1.107 327 T CB -0.278 68.543 68.868 -0.078 0.000 0.898 327 T HN 0.625 nan 8.240 nan 0.000 0.517 328 K N 1.019 121.366 120.400 -0.088 0.000 2.362 328 K HA 0.180 4.500 4.320 -0.000 0.000 0.200 328 K C 2.560 179.113 176.600 -0.080 0.000 1.046 328 K CA 0.798 57.022 56.287 -0.106 0.000 0.952 328 K CB -0.300 32.076 32.500 -0.207 0.000 0.753 328 K HN 0.497 nan 8.250 nan 0.000 0.466 329 A N 0.893 123.665 122.820 -0.080 0.000 1.969 329 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 329 A C 1.997 179.553 177.584 -0.047 0.000 1.169 329 A CA 1.292 53.293 52.037 -0.061 0.000 0.635 329 A CB -0.209 18.760 19.000 -0.052 0.000 0.810 329 A HN 0.185 nan 8.150 nan 0.000 0.445 330 M N -1.231 118.333 119.600 -0.060 0.000 2.412 330 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 330 M C 2.383 178.651 176.300 -0.054 0.000 1.122 330 M CA 1.704 56.965 55.300 -0.064 0.000 1.179 330 M CB -0.104 32.433 32.600 -0.104 0.000 1.335 330 M HN 0.591 nan 8.290 nan 0.000 0.465 331 T N -2.152 112.363 114.554 -0.065 0.000 3.054 331 T HA 0.395 4.745 4.350 -0.000 0.000 0.259 331 T C 1.034 175.740 174.700 0.011 0.000 1.092 331 T CA 0.507 62.590 62.100 -0.029 0.000 1.121 331 T CB -0.144 68.720 68.868 -0.006 0.000 0.912 331 T HN 0.566 nan 8.240 nan 0.000 0.489 332 G N 0.959 109.769 108.800 0.015 0.000 2.757 332 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.638 332 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.638 332 G C -0.930 174.001 174.900 0.051 0.000 1.344 332 G CA -0.360 44.778 45.100 0.062 0.000 0.855 332 G HN 0.791 nan 8.290 nan 0.000 0.537 333 H N 0.795 119.824 119.070 -0.069 0.000 2.641 333 H HA 0.592 5.148 4.556 -0.000 0.000 0.295 333 H C 1.619 176.828 175.328 -0.198 0.000 1.070 333 H CA -0.037 55.871 56.048 -0.234 0.000 1.257 333 H CB 0.653 30.076 29.762 -0.564 0.000 1.393 333 H HN 0.835 nan 8.280 nan 0.000 0.464 334 S N 4.863 120.634 115.700 0.117 0.000 2.710 334 S HA 0.112 4.582 4.470 -0.000 0.000 0.224 334 S C 1.356 175.915 174.600 -0.068 0.000 0.948 334 S CA -0.015 58.179 58.200 -0.010 0.000 0.949 334 S CB -0.604 62.587 63.200 -0.014 0.000 0.778 334 S HN 0.718 nan 8.310 nan 0.000 0.498 335 L N -0.040 121.065 121.223 -0.196 0.000 4.990 335 L HA -0.361 3.979 4.340 -0.000 0.000 0.053 335 L C 2.296 179.129 176.870 -0.063 0.000 3.174 335 L CA 1.514 56.165 54.840 -0.316 0.000 1.483 335 L CB -2.074 39.774 42.059 -0.351 0.000 2.968 335 L HN 0.434 nan 8.230 nan 0.000 0.908 336 G N -1.101 107.673 108.800 -0.045 0.000 2.448 336 G HA2 0.023 3.983 3.960 -0.000 0.000 0.219 336 G HA3 0.023 3.983 3.960 -0.000 0.000 0.219 336 G C 1.267 176.168 174.900 0.003 0.000 1.127 336 G CA 1.273 46.375 45.100 0.003 0.000 0.766 336 G HN 0.857 nan 8.290 nan 0.000 0.552 337 A N 0.320 123.136 122.820 -0.007 0.000 2.218 337 A HA 0.651 4.971 4.320 -0.000 0.000 0.209 337 A C 2.532 180.085 177.584 -0.051 0.000 1.168 337 A CA 1.269 53.291 52.037 -0.024 0.000 0.804 337 A CB -0.215 18.773 19.000 -0.020 0.000 0.834 337 A HN 0.527 nan 8.150 nan 0.000 0.482 338 A N 0.180 122.986 122.820 -0.024 0.000 1.883 338 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 338 A C 2.359 179.887 177.584 -0.092 0.000 1.186 338 A CA 1.944 53.958 52.037 -0.038 0.000 0.624 338 A CB -1.346 17.662 19.000 0.014 0.000 0.822 338 A HN 0.689 nan 8.150 nan 0.000 0.444 339 G N -0.859 107.893 108.800 -0.080 0.000 2.491 339 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 339 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 339 G C 1.669 176.485 174.900 -0.140 0.000 1.180 339 G CA 1.436 46.470 45.100 -0.110 0.000 0.774 339 G HN 0.639 nan 8.290 nan 0.000 0.562 340 V N 0.138 119.970 119.914 -0.137 0.000 2.453 340 V HA -0.108 4.012 4.120 -0.000 0.000 0.247 340 V C 2.743 178.682 176.094 -0.258 0.000 1.048 340 V CA 2.453 64.654 62.300 -0.165 0.000 1.049 340 V CB -0.252 31.495 31.823 -0.126 0.000 0.672 340 V HN 0.521 nan 8.190 nan 0.000 0.457 341 Q N -0.404 119.211 119.800 -0.309 0.000 2.084 341 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 341 Q C 2.150 177.570 176.000 -0.966 0.000 0.978 341 Q CA 2.124 57.580 55.803 -0.578 0.000 0.844 341 Q CB -0.150 28.315 28.738 -0.454 0.000 0.898 341 Q HN 0.713 nan 8.270 nan 0.000 0.426 342 E N 0.323 120.202 120.200 -0.536 0.000 2.208 342 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 342 E C 1.834 178.321 176.600 -0.188 0.000 0.988 342 E CA 0.658 56.885 56.400 -0.289 0.000 0.828 342 E CB 0.014 29.673 29.700 -0.069 0.000 0.763 342 E HN 0.328 nan 8.360 nan 0.000 0.478 343 A N 0.881 123.573 122.820 -0.212 0.000 1.929 343 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 343 A C 2.095 179.582 177.584 -0.161 0.000 1.176 343 A CA 0.804 52.754 52.037 -0.145 0.000 0.628 343 A CB -0.354 18.559 19.000 -0.145 0.000 0.816 343 A HN 0.134 nan 8.150 nan 0.000 0.444 344 I N -1.470 118.941 120.570 -0.265 0.000 2.252 344 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 344 I C 2.259 178.316 176.117 -0.101 0.000 1.102 344 I CA 1.146 62.301 61.300 -0.241 0.000 1.385 344 I CB -0.419 37.400 38.000 -0.302 0.000 1.064 344 I HN 0.363 nan 8.210 nan 0.000 0.414 345 Y N 0.831 121.104 120.300 -0.046 0.000 2.165 345 Y HA -0.206 4.344 4.550 -0.000 0.000 0.286 345 Y C 2.937 178.807 175.900 -0.049 0.000 1.155 345 Y CA 0.888 58.969 58.100 -0.030 0.000 1.164 345 Y CB -1.343 37.106 38.460 -0.018 0.000 0.978 345 Y HN 0.103 nan 8.280 nan 0.000 0.513 346 S N -0.036 115.738 115.700 0.124 0.000 2.383 346 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 346 S C 2.132 176.745 174.600 0.022 0.000 1.026 346 S CA 0.995 59.251 58.200 0.094 0.000 0.981 346 S CB -0.531 62.739 63.200 0.118 0.000 0.818 346 S HN 0.354 nan 8.310 nan 0.000 0.472 347 L N 0.850 122.070 121.223 -0.005 0.000 2.109 347 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 347 L C 2.118 179.023 176.870 0.057 0.000 1.086 347 L CA 0.844 55.677 54.840 -0.011 0.000 0.760 347 L CB -0.465 41.516 42.059 -0.130 0.000 0.910 347 L HN 0.284 nan 8.230 nan 0.000 0.437 348 L N -1.069 120.205 121.223 0.086 0.000 2.093 348 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 348 L C 2.583 179.576 176.870 0.205 0.000 1.085 348 L CA 1.186 56.181 54.840 0.257 0.000 0.755 348 L CB -0.295 41.926 42.059 0.271 0.000 0.904 348 L HN 0.312 nan 8.230 nan 0.000 0.435 349 M N -0.987 118.538 119.600 -0.124 0.000 2.175 349 M HA -0.191 4.289 4.480 -0.000 0.000 0.264 349 M C 2.227 178.401 176.300 -0.210 0.000 1.063 349 M CA 1.416 56.404 55.300 -0.521 0.000 1.119 349 M CB -0.169 31.978 32.600 -0.755 0.000 1.377 349 M HN 0.218 nan 8.290 nan 0.000 0.415 350 L N 0.500 121.679 121.223 -0.074 0.000 2.072 350 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 350 L C 2.217 179.097 176.870 0.016 0.000 1.079 350 L CA 1.945 56.775 54.840 -0.016 0.000 0.752 350 L CB -0.539 41.531 42.059 0.018 0.000 0.906 350 L HN 0.184 nan 8.230 nan 0.000 0.436 351 E N -1.146 119.083 120.200 0.047 0.000 2.072 351 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 351 E C 1.686 178.164 176.600 -0.204 0.000 0.985 351 E CA 1.551 57.927 56.400 -0.040 0.000 0.801 351 E CB -0.102 29.621 29.700 0.037 0.000 0.750 351 E HN 0.627 nan 8.360 nan 0.000 0.452 352 H N -1.320 117.855 119.070 0.175 0.000 2.549 352 H HA 0.280 4.836 4.556 -0.000 0.000 0.279 352 H C 0.532 176.003 175.328 0.237 0.000 1.018 352 H CA 0.491 56.670 56.048 0.219 0.000 1.175 352 H CB 0.601 30.551 29.762 0.313 0.000 1.485 352 H HN 0.276 nan 8.280 nan 0.000 0.543 353 G N 2.055 110.980 108.800 0.208 0.000 2.359 353 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.298 353 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.298 353 G C -0.227 174.809 174.900 0.227 0.000 1.030 353 G CA 0.768 45.955 45.100 0.145 0.000 1.149 353 G HN 0.523 nan 8.290 nan 0.000 0.512 354 F N -1.772 118.162 119.950 -0.026 0.000 2.693 354 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 354 F C -0.906 174.799 175.800 -0.158 0.000 1.129 354 F CA -2.238 55.723 58.000 -0.065 0.000 0.948 354 F CB 1.142 40.117 39.000 -0.041 0.000 1.315 354 F HN 0.056 nan 8.300 nan 0.000 0.447 355 I N 3.023 123.471 120.570 -0.203 0.000 2.355 355 I HA 0.592 4.762 4.170 -0.000 0.000 0.288 355 I C 0.217 176.234 176.117 -0.166 0.000 0.999 355 I CA -1.049 59.985 61.300 -0.443 0.000 1.163 355 I CB 1.546 39.385 38.000 -0.268 0.000 1.316 355 I HN 0.959 nan 8.210 nan 0.000 0.454 356 A N 9.448 132.090 122.820 -0.296 0.000 2.462 356 A HA 0.426 4.746 4.320 -0.000 0.000 0.243 356 A C -2.291 175.303 177.584 0.016 0.000 1.076 356 A CA -0.926 51.123 52.037 0.020 0.000 0.773 356 A CB -0.383 18.599 19.000 -0.030 0.000 1.010 356 A HN 0.441 nan 8.150 nan 0.000 0.493 357 P HA 0.125 nan 4.420 nan 0.000 0.278 357 P C -0.366 176.963 177.300 0.048 0.000 1.238 357 P CA -0.206 62.922 63.100 0.045 0.000 0.794 357 P CB 1.196 32.916 31.700 0.035 0.000 0.955 358 S N 2.708 118.451 115.700 0.071 0.000 2.409 358 S HA 0.373 4.843 4.470 -0.000 0.000 0.308 358 S C 0.596 175.233 174.600 0.063 0.000 1.080 358 S CA -0.816 57.438 58.200 0.090 0.000 1.081 358 S CB -1.301 61.999 63.200 0.167 0.000 1.009 358 S HN 0.345 nan 8.310 nan 0.000 0.502 359 I N 2.043 122.630 120.570 0.028 0.000 3.110 359 I HA 0.519 4.689 4.170 -0.000 0.000 0.314 359 I C 0.418 176.536 176.117 0.002 0.000 1.020 359 I CA -0.634 60.673 61.300 0.011 0.000 1.169 359 I CB 0.374 38.369 38.000 -0.009 0.000 1.437 359 I HN 0.514 nan 8.210 nan 0.000 0.595 360 N N 0.824 119.517 118.700 -0.011 0.000 2.800 360 N HA -0.170 4.570 4.740 -0.000 0.000 0.250 360 N C -0.558 174.945 175.510 -0.011 0.000 1.078 360 N CA 0.958 53.989 53.050 -0.032 0.000 0.804 360 N CB -1.486 36.958 38.487 -0.071 0.000 1.135 360 N HN 0.603 nan 8.380 nan 0.000 0.565 361 I N 1.346 121.931 120.570 0.024 0.000 2.294 361 I HA 0.044 4.214 4.170 -0.000 0.000 0.295 361 I C 1.384 177.523 176.117 0.037 0.000 1.098 361 I CA 0.056 61.388 61.300 0.053 0.000 1.277 361 I CB 0.538 38.590 38.000 0.086 0.000 1.434 361 I HN 0.034 nan 8.210 nan 0.000 0.498 362 E N 4.099 124.319 120.200 0.033 0.000 2.307 362 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 362 E C 0.374 176.997 176.600 0.039 0.000 0.975 362 E CA 0.356 56.768 56.400 0.020 0.000 0.878 362 E CB 0.633 30.328 29.700 -0.008 0.000 0.845 362 E HN 0.524 nan 8.360 nan 0.000 0.488 363 E N 1.423 121.668 120.200 0.077 0.000 2.528 363 E HA 0.130 4.480 4.350 -0.000 0.000 0.277 363 E C -1.364 175.304 176.600 0.114 0.000 0.980 363 E CA -0.522 55.937 56.400 0.099 0.000 0.796 363 E CB 0.947 30.734 29.700 0.144 0.000 1.427 363 E HN -0.057 nan 8.360 nan 0.000 0.394 364 L N 3.789 125.062 121.223 0.085 0.000 2.540 364 L HA 0.043 4.383 4.340 -0.000 0.000 0.276 364 L C 0.210 177.130 176.870 0.082 0.000 1.212 364 L CA 0.750 55.640 54.840 0.083 0.000 0.893 364 L CB 0.528 42.615 42.059 0.047 0.000 1.138 364 L HN 0.531 nan 8.230 nan 0.000 0.491 365 D N 3.670 124.129 120.400 0.099 0.000 2.455 365 D HA -0.059 4.581 4.640 -0.000 0.000 0.241 365 D C 0.813 177.145 176.300 0.053 0.000 1.138 365 D CA 0.200 54.250 54.000 0.084 0.000 0.877 365 D CB 0.870 41.740 40.800 0.117 0.000 1.187 365 D HN 0.711 nan 8.370 nan 0.000 0.451 366 E N 2.038 122.264 120.200 0.043 0.000 2.171 366 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 366 E C 1.538 178.153 176.600 0.024 0.000 0.997 366 E CA 1.040 57.458 56.400 0.030 0.000 0.810 366 E CB 0.107 29.823 29.700 0.027 0.000 0.738 366 E HN 0.592 nan 8.360 nan 0.000 0.467 367 Q N -0.478 119.342 119.800 0.033 0.000 2.515 367 Q HA 0.023 4.363 4.340 -0.000 0.000 0.212 367 Q C 1.450 177.459 176.000 0.014 0.000 0.970 367 Q CA 0.649 56.469 55.803 0.030 0.000 0.941 367 Q CB 0.298 29.064 28.738 0.046 0.000 0.998 367 Q HN 0.176 nan 8.270 nan 0.000 0.518 368 A N 0.471 123.290 122.820 -0.002 0.000 2.348 368 A HA 0.441 4.761 4.320 -0.000 0.000 0.224 368 A C 0.833 178.382 177.584 -0.058 0.000 1.227 368 A CA -0.088 51.912 52.037 -0.062 0.000 0.885 368 A CB 0.232 19.165 19.000 -0.113 0.000 0.933 368 A HN 0.258 nan 8.150 nan 0.000 0.506 369 A N -0.855 121.951 122.820 -0.023 0.000 2.477 369 A HA 0.466 4.786 4.320 -0.000 0.000 0.246 369 A C 1.554 179.126 177.584 -0.019 0.000 1.078 369 A CA 0.616 52.642 52.037 -0.017 0.000 0.770 369 A CB -0.428 18.571 19.000 -0.002 0.000 1.011 369 A HN 1.876 nan 8.150 nan 0.000 0.494 370 G N 0.712 109.499 108.800 -0.021 0.000 2.195 370 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.246 370 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.246 370 G C 0.009 174.892 174.900 -0.028 0.000 0.984 370 G CA 0.330 45.420 45.100 -0.017 0.000 0.633 370 G HN 0.790 nan 8.290 nan 0.000 0.525 371 L N 0.243 121.436 121.223 -0.051 0.000 2.334 371 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 371 L C 0.233 177.055 176.870 -0.081 0.000 1.020 371 L CA -1.146 53.649 54.840 -0.074 0.000 0.812 371 L CB 1.600 43.593 42.059 -0.110 0.000 1.264 371 L HN 0.095 nan 8.230 nan 0.000 0.439 372 N N 2.800 121.452 118.700 -0.081 0.000 2.868 372 N HA 0.273 5.013 4.740 -0.000 0.000 0.252 372 N C -0.856 174.613 175.510 -0.068 0.000 1.130 372 N CA -0.092 52.921 53.050 -0.062 0.000 1.026 372 N CB -0.096 38.363 38.487 -0.047 0.000 1.335 372 N HN 0.418 nan 8.380 nan 0.000 0.516 373 I N 2.947 123.469 120.570 -0.081 0.000 2.291 373 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 373 I C 0.009 176.122 176.117 -0.007 0.000 1.064 373 I CA -0.935 60.320 61.300 -0.074 0.000 1.269 373 I CB 1.025 38.929 38.000 -0.161 0.000 1.418 373 I HN 0.035 nan 8.210 nan 0.000 0.485 374 V N 5.916 125.849 119.914 0.031 0.000 2.479 374 V HA -0.001 4.119 4.120 -0.000 0.000 0.281 374 V C 1.344 177.467 176.094 0.050 0.000 1.031 374 V CA 0.279 62.604 62.300 0.041 0.000 1.038 374 V CB 0.779 32.635 31.823 0.055 0.000 0.981 374 V HN 0.896 nan 8.190 nan 0.000 0.478 375 T N 0.673 115.249 114.554 0.037 0.000 3.134 375 T HA 0.296 4.646 4.350 -0.000 0.000 0.260 375 T C 0.156 174.873 174.700 0.029 0.000 1.027 375 T CA -0.208 61.915 62.100 0.038 0.000 0.913 375 T CB -0.238 68.649 68.868 0.032 0.000 1.046 375 T HN 0.852 nan 8.240 nan 0.000 0.553 376 E N 0.037 120.254 120.200 0.029 0.000 2.352 376 E HA 0.355 4.705 4.350 -0.000 0.000 0.280 376 E C -1.492 175.128 176.600 0.033 0.000 0.930 376 E CA -1.068 55.346 56.400 0.023 0.000 0.765 376 E CB 0.754 30.463 29.700 0.015 0.000 1.219 376 E HN -0.081 nan 8.360 nan 0.000 0.434 377 T N 2.499 117.075 114.554 0.036 0.000 2.800 377 T HA 0.081 4.431 4.350 -0.000 0.000 0.283 377 T C -0.394 174.343 174.700 0.062 0.000 0.999 377 T CA 0.560 62.702 62.100 0.068 0.000 1.176 377 T CB 0.036 68.919 68.868 0.025 0.000 0.973 377 T HN 0.424 nan 8.240 nan 0.000 0.519 378 T N 4.531 119.139 114.554 0.090 0.000 2.847 378 T HA 0.205 4.555 4.350 -0.000 0.000 0.291 378 T C -0.273 174.482 174.700 0.091 0.000 0.998 378 T CA -0.890 61.248 62.100 0.063 0.000 0.967 378 T CB 0.949 69.837 68.868 0.034 0.000 0.954 378 T HN 0.483 nan 8.240 nan 0.000 0.441 379 D N 3.151 123.599 120.400 0.079 0.000 2.390 379 D HA 0.328 4.968 4.640 -0.000 0.000 0.249 379 D C 0.404 176.741 176.300 0.061 0.000 1.144 379 D CA 0.286 54.343 54.000 0.094 0.000 0.880 379 D CB 1.160 41.996 40.800 0.059 0.000 1.182 379 D HN 0.414 nan 8.370 nan 0.000 0.451 380 R N 1.245 121.782 120.500 0.062 0.000 2.664 380 R HA 0.092 4.432 4.340 -0.000 0.000 0.260 380 R C -1.414 174.903 176.300 0.027 0.000 1.062 380 R CA -0.597 55.522 56.100 0.031 0.000 0.902 380 R CB 1.318 31.625 30.300 0.012 0.000 1.258 380 R HN 0.263 nan 8.270 nan 0.000 0.465 381 E N 4.310 124.523 120.200 0.022 0.000 2.105 381 E HA 0.230 4.580 4.350 -0.000 0.000 0.285 381 E C -0.458 176.148 176.600 0.010 0.000 1.055 381 E CA -0.259 56.152 56.400 0.019 0.000 0.843 381 E CB 0.952 30.662 29.700 0.018 0.000 1.067 381 E HN 0.288 nan 8.360 nan 0.000 0.398 382 L N 1.929 123.154 121.223 0.003 0.000 2.360 382 L HA 0.341 4.681 4.340 -0.000 0.000 0.271 382 L C 1.005 177.883 176.870 0.013 0.000 1.057 382 L CA -0.279 54.565 54.840 0.006 0.000 0.803 382 L CB 1.416 43.469 42.059 -0.010 0.000 1.207 382 L HN 0.522 nan 8.230 nan 0.000 0.445 383 T N -1.585 112.982 114.554 0.021 0.000 3.057 383 T HA 0.094 4.444 4.350 -0.000 0.000 0.254 383 T C 0.222 174.937 174.700 0.026 0.000 0.965 383 T CA 0.273 62.385 62.100 0.019 0.000 0.978 383 T CB 0.700 69.578 68.868 0.017 0.000 1.169 383 T HN 0.605 nan 8.240 nan 0.000 0.489 384 T N 2.906 117.481 114.554 0.035 0.000 2.879 384 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 384 T C -0.789 173.945 174.700 0.056 0.000 0.993 384 T CA -0.695 61.430 62.100 0.042 0.000 0.975 384 T CB 2.056 70.950 68.868 0.042 0.000 0.981 384 T HN 0.219 nan 8.240 nan 0.000 0.439 385 V N 1.112 121.061 119.914 0.059 0.000 2.914 385 V HA 0.867 4.987 4.120 -0.000 0.000 0.314 385 V C -0.664 175.449 176.094 0.030 0.000 1.084 385 V CA -1.208 61.135 62.300 0.072 0.000 0.963 385 V CB 2.152 34.060 31.823 0.142 0.000 1.025 385 V HN 0.980 nan 8.190 nan 0.000 0.432 386 M N 2.988 122.573 119.600 -0.025 0.000 2.464 386 M HA 0.760 5.240 4.480 -0.000 0.000 0.308 386 M C -1.025 175.222 176.300 -0.088 0.000 1.127 386 M CA -0.279 55.004 55.300 -0.028 0.000 0.913 386 M CB 2.223 34.831 32.600 0.013 0.000 1.689 386 M HN 0.982 nan 8.290 nan 0.000 0.445 387 S N 3.147 118.809 115.700 -0.062 0.000 2.614 387 S HA 0.578 5.048 4.470 -0.000 0.000 0.288 387 S C -1.470 173.055 174.600 -0.126 0.000 1.137 387 S CA -0.780 57.362 58.200 -0.096 0.000 0.992 387 S CB 1.030 64.186 63.200 -0.073 0.000 1.026 387 S HN 0.845 nan 8.310 nan 0.000 0.486 388 N N 2.120 120.703 118.700 -0.196 0.000 2.443 388 N HA 0.568 5.308 4.740 -0.000 0.000 0.295 388 N C -1.287 173.888 175.510 -0.559 0.000 1.076 388 N CA -0.369 52.440 53.050 -0.401 0.000 0.919 388 N CB 1.837 40.031 38.487 -0.488 0.000 1.176 388 N HN 0.480 nan 8.380 nan 0.000 0.487 389 S N 1.480 116.728 115.700 -0.753 0.000 2.736 389 S HA 0.578 5.048 4.470 -0.000 0.000 0.285 389 S C -1.280 172.895 174.600 -0.708 0.000 1.163 389 S CA -0.608 57.240 58.200 -0.587 0.000 1.025 389 S CB 0.438 63.469 63.200 -0.281 0.000 1.030 389 S HN 0.281 nan 8.310 nan 0.000 0.486 390 F N 1.027 120.609 119.950 -0.614 0.000 2.546 390 F HA 0.886 5.413 4.527 -0.000 0.000 0.320 390 F C 0.770 176.397 175.800 -0.289 0.000 1.076 390 F CA -0.961 56.763 58.000 -0.461 0.000 0.928 390 F CB 1.872 40.564 39.000 -0.513 0.000 1.189 390 F HN 0.661 nan 8.300 nan 0.000 0.465 391 G N 0.585 109.482 108.800 0.161 0.000 2.642 391 G HA2 0.546 4.506 3.960 -0.000 0.000 0.293 391 G HA3 0.546 4.506 3.960 -0.000 0.000 0.293 391 G C -1.234 173.870 174.900 0.341 0.000 1.341 391 G CA -0.862 44.350 45.100 0.188 0.000 0.916 391 G HN 0.481 nan 8.290 nan 0.000 0.474 392 F N 0.133 120.184 119.950 0.168 0.000 2.626 392 F HA 0.265 4.792 4.527 -0.000 0.000 0.354 392 F C 1.712 177.575 175.800 0.105 0.000 1.168 392 F CA 1.344 59.429 58.000 0.143 0.000 1.368 392 F CB 0.863 39.957 39.000 0.157 0.000 1.092 392 F HN 0.909 nan 8.300 nan 0.000 0.612 393 G N 1.041 109.989 108.800 0.248 0.000 2.157 393 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.248 393 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.248 393 G C 0.663 175.630 174.900 0.113 0.000 0.979 393 G CA 0.095 45.282 45.100 0.145 0.000 0.650 393 G HN 1.773 nan 8.290 nan 0.000 0.529 394 G N -0.970 107.906 108.800 0.128 0.000 2.295 394 G HA2 0.092 4.052 3.960 -0.000 0.000 0.287 394 G HA3 0.092 4.052 3.960 -0.000 0.000 0.287 394 G C 0.337 175.291 174.900 0.090 0.000 1.055 394 G CA 1.397 46.545 45.100 0.081 0.000 0.922 394 G HN 1.976 nan 8.290 nan 0.000 0.503 395 T N 0.266 114.908 114.554 0.147 0.000 2.795 395 T HA 0.587 4.937 4.350 -0.000 0.000 0.282 395 T C 0.043 174.890 174.700 0.245 0.000 0.980 395 T CA -0.616 61.597 62.100 0.188 0.000 1.012 395 T CB 0.421 69.423 68.868 0.223 0.000 0.936 395 T HN 0.331 nan 8.240 nan 0.000 0.457 396 N N 2.669 121.524 118.700 0.258 0.000 2.272 396 N HA 0.722 5.462 4.740 -0.000 0.000 0.305 396 N C -1.323 174.313 175.510 0.210 0.000 1.103 396 N CA -0.654 52.584 53.050 0.312 0.000 0.791 396 N CB 2.154 40.792 38.487 0.252 0.000 1.356 396 N HN 0.762 nan 8.380 nan 0.000 0.486 397 A N 0.637 123.492 122.820 0.058 0.000 2.455 397 A HA 0.734 5.054 4.320 -0.000 0.000 0.300 397 A C -0.952 176.604 177.584 -0.048 0.000 1.040 397 A CA -0.495 51.489 52.037 -0.088 0.000 0.697 397 A CB 1.377 20.085 19.000 -0.487 0.000 1.265 397 A HN 0.450 nan 8.150 nan 0.000 0.407 398 T N 2.437 117.013 114.554 0.037 0.000 2.921 398 T HA 0.587 4.937 4.350 -0.000 0.000 0.297 398 T C -0.907 173.856 174.700 0.106 0.000 1.013 398 T CA -0.234 61.888 62.100 0.037 0.000 0.990 398 T CB 0.861 69.767 68.868 0.063 0.000 1.023 398 T HN 0.505 nan 8.240 nan 0.000 0.447 399 L N 2.847 124.105 121.223 0.059 0.000 2.346 399 L HA 0.775 5.115 4.340 -0.000 0.000 0.276 399 L C -0.758 176.140 176.870 0.046 0.000 1.006 399 L CA -1.151 53.733 54.840 0.073 0.000 0.817 399 L CB 2.015 44.081 42.059 0.012 0.000 1.272 399 L HN 0.335 nan 8.230 nan 0.000 0.421 400 V N 4.052 124.003 119.914 0.061 0.000 2.409 400 V HA 0.506 4.626 4.120 -0.000 0.000 0.291 400 V C -0.103 176.013 176.094 0.036 0.000 1.020 400 V CA -0.336 61.994 62.300 0.050 0.000 0.848 400 V CB 1.733 33.594 31.823 0.064 0.000 0.990 400 V HN 0.717 nan 8.190 nan 0.000 0.430 401 M N 5.130 124.746 119.600 0.027 0.000 2.465 401 M HA 0.676 5.156 4.480 -0.000 0.000 0.316 401 M C -0.507 175.808 176.300 0.024 0.000 1.121 401 M CA -0.437 54.874 55.300 0.019 0.000 0.934 401 M CB 2.586 35.190 32.600 0.007 0.000 1.692 401 M HN 0.583 nan 8.290 nan 0.000 0.444 402 R N 1.392 121.903 120.500 0.018 0.000 2.725 402 R HA 0.477 4.817 4.340 -0.000 0.000 0.277 402 R C -1.152 175.152 176.300 0.008 0.000 0.987 402 R CA -0.808 55.302 56.100 0.017 0.000 0.901 402 R CB 2.080 32.390 30.300 0.016 0.000 1.207 402 R HN 0.648 nan 8.270 nan 0.000 0.463 403 K N 1.987 122.391 120.400 0.006 0.000 2.414 403 K HA 0.020 4.340 4.320 -0.000 0.000 0.272 403 K C -0.387 176.206 176.600 -0.012 0.000 0.993 403 K CA -0.134 56.150 56.287 -0.005 0.000 0.964 403 K CB 0.404 32.901 32.500 -0.004 0.000 0.925 403 K HN 0.260 nan 8.250 nan 0.000 0.487 404 L N 3.838 125.046 121.223 -0.025 0.000 2.281 404 L HA 0.116 4.456 4.340 -0.000 0.000 0.285 404 L C -0.867 175.990 176.870 -0.022 0.000 1.074 404 L CA -0.238 54.587 54.840 -0.026 0.000 0.817 404 L CB 0.421 42.456 42.059 -0.039 0.000 1.168 404 L HN 0.357 nan 8.230 nan 0.000 0.434 405 K N 4.025 124.416 120.400 -0.015 0.000 2.543 405 K HA 0.059 4.379 4.320 -0.000 0.000 0.279 405 K C 0.245 176.836 176.600 -0.015 0.000 1.001 405 K CA 0.744 57.023 56.287 -0.012 0.000 1.088 405 K CB -0.288 32.206 32.500 -0.009 0.000 0.863 405 K HN 0.796 nan 8.250 nan 0.000 0.488 406 D N 0.000 120.392 120.400 -0.013 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 406 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683