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 2vb9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRAVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SACATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKL 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 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.309 55.300 0.016 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 K N 3.041 123.447 120.400 0.011 0.000 2.485 2 K HA 0.201 4.521 4.320 -0.000 0.000 0.277 2 K C -0.480 176.124 176.600 0.006 0.000 0.990 2 K CA 0.407 56.698 56.287 0.007 0.000 0.994 2 K CB 0.167 32.669 32.500 0.002 0.000 0.906 2 K HN 0.403 nan 8.250 nan 0.000 0.488 3 R N 0.435 120.937 120.500 0.003 0.000 2.604 3 R HA 0.551 4.891 4.340 -0.000 0.000 0.287 3 R C -0.495 175.799 176.300 -0.010 0.000 0.970 3 R CA -0.673 55.427 56.100 0.001 0.000 0.946 3 R CB 1.718 32.019 30.300 0.001 0.000 1.127 3 R HN 0.647 nan 8.270 nan 0.000 0.473 4 A N 2.157 124.969 122.820 -0.015 0.000 2.331 4 A HA 0.622 4.942 4.320 -0.000 0.000 0.320 4 A C -0.460 177.105 177.584 -0.032 0.000 1.138 4 A CA -0.687 51.330 52.037 -0.033 0.000 0.790 4 A CB 1.087 20.062 19.000 -0.043 0.000 1.206 4 A HN 0.528 nan 8.150 nan 0.000 0.470 5 V N 0.232 120.122 119.914 -0.040 0.000 2.960 5 V HA 0.727 4.847 4.120 -0.000 0.000 0.315 5 V C -0.582 175.487 176.094 -0.041 0.000 1.087 5 V CA -1.078 61.201 62.300 -0.034 0.000 0.982 5 V CB 1.750 33.553 31.823 -0.032 0.000 1.039 5 V HN 0.621 nan 8.190 nan 0.000 0.437 6 I N 3.141 123.702 120.570 -0.016 0.000 2.321 6 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 6 I C 1.077 177.250 176.117 0.093 0.000 0.998 6 I CA 0.202 61.502 61.300 0.001 0.000 1.227 6 I CB 1.234 39.223 38.000 -0.019 0.000 1.368 6 I HN 1.048 nan 8.210 nan 0.000 0.466 7 T N 1.073 115.673 114.554 0.077 0.000 3.040 7 T HA 0.490 4.840 4.350 -0.000 0.000 0.266 7 T C 0.497 175.341 174.700 0.240 0.000 1.005 7 T CA -0.294 61.872 62.100 0.111 0.000 0.906 7 T CB 0.537 69.417 68.868 0.020 0.000 1.082 7 T HN 0.782 nan 8.240 nan 0.000 0.531 8 G N 1.374 110.319 108.800 0.243 0.000 2.616 8 G HA2 0.536 4.496 3.960 -0.000 0.000 0.294 8 G HA3 0.536 4.496 3.960 -0.000 0.000 0.294 8 G C -2.090 172.824 174.900 0.025 0.000 1.489 8 G CA -0.892 44.352 45.100 0.240 0.000 0.836 8 G HN 0.663 nan 8.290 nan 0.000 0.527 9 L N -1.133 120.080 121.223 -0.018 0.000 2.415 9 L HA 1.072 5.412 4.340 -0.000 0.000 0.256 9 L C 0.022 176.856 176.870 -0.061 0.000 1.010 9 L CA -0.849 53.917 54.840 -0.123 0.000 0.826 9 L CB 1.870 43.751 42.059 -0.297 0.000 1.405 9 L HN 1.318 nan 8.230 nan 0.000 0.410 10 G N 0.624 109.379 108.800 -0.074 0.000 2.718 10 G HA2 0.771 4.731 3.960 -0.000 0.000 0.295 10 G HA3 0.771 4.731 3.960 -0.000 0.000 0.295 10 G C -2.103 172.766 174.900 -0.053 0.000 1.421 10 G CA -0.646 44.424 45.100 -0.050 0.000 0.902 10 G HN 1.005 nan 8.290 nan 0.000 0.501 11 I N 0.469 121.022 120.570 -0.028 0.000 2.787 11 I HA 0.579 4.749 4.170 -0.000 0.000 0.294 11 I C -1.533 174.576 176.117 -0.013 0.000 1.365 11 I CA -0.909 60.374 61.300 -0.029 0.000 1.029 11 I CB 2.312 40.293 38.000 -0.031 0.000 1.313 11 I HN 0.356 nan 8.210 nan 0.000 0.431 12 V N 6.392 126.284 119.914 -0.036 0.000 2.398 12 V HA 0.549 4.669 4.120 -0.000 0.000 0.282 12 V C -0.280 175.723 176.094 -0.151 0.000 1.014 12 V CA -0.253 62.001 62.300 -0.078 0.000 0.838 12 V CB 1.320 33.105 31.823 -0.064 0.000 1.018 12 V HN 0.789 nan 8.190 nan 0.000 0.432 13 S N 2.281 117.923 115.700 -0.097 0.000 2.632 13 S HA 0.459 4.929 4.470 -0.000 0.000 0.289 13 S C 1.161 175.712 174.600 -0.083 0.000 1.115 13 S CA 0.087 58.248 58.200 -0.064 0.000 0.889 13 S CB 1.939 65.188 63.200 0.081 0.000 1.116 13 S HN 0.872 nan 8.310 nan 0.000 0.486 14 S N 0.758 116.416 115.700 -0.070 0.000 2.442 14 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 14 S C 1.477 176.055 174.600 -0.038 0.000 1.007 14 S CA 1.157 59.317 58.200 -0.066 0.000 0.965 14 S CB -1.139 62.034 63.200 -0.044 0.000 0.773 14 S HN 1.043 nan 8.310 nan 0.000 0.504 15 I N -2.476 118.079 120.570 -0.025 0.000 3.976 15 I HA 0.653 4.822 4.170 -0.000 0.000 0.337 15 I C 0.636 176.737 176.117 -0.026 0.000 1.359 15 I CA -0.296 60.980 61.300 -0.040 0.000 1.098 15 I CB 0.148 38.090 38.000 -0.095 0.000 1.027 15 I HN 0.324 nan 8.210 nan 0.000 0.394 16 G N 0.959 109.751 108.800 -0.013 0.000 2.358 16 G HA2 0.055 4.015 3.960 -0.000 0.000 0.301 16 G HA3 0.055 4.015 3.960 -0.000 0.000 0.301 16 G C -0.904 173.992 174.900 -0.006 0.000 1.539 16 G CA -0.608 44.487 45.100 -0.007 0.000 0.893 16 G HN -0.023 nan 8.290 nan 0.000 0.636 17 N N -0.023 118.675 118.700 -0.005 0.000 2.280 17 N HA 0.136 4.876 4.740 -0.000 0.000 0.192 17 N C 0.319 175.836 175.510 0.011 0.000 1.109 17 N CA 0.648 53.696 53.050 -0.003 0.000 0.855 17 N CB 0.308 38.796 38.487 0.002 0.000 0.974 17 N HN 0.806 nan 8.380 nan 0.000 0.482 18 N N -1.735 116.974 118.700 0.015 0.000 3.261 18 N HA -0.024 4.716 4.740 -0.000 0.000 0.248 18 N C 0.298 175.826 175.510 0.029 0.000 1.498 18 N CA -0.644 52.419 53.050 0.022 0.000 0.884 18 N CB 0.445 38.946 38.487 0.023 0.000 1.428 18 N HN -0.152 nan 8.380 nan 0.000 0.517 19 Q N -1.238 118.584 119.800 0.038 0.000 2.224 19 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 19 Q C 0.760 176.780 176.000 0.034 0.000 0.970 19 Q CA 1.421 57.256 55.803 0.054 0.000 0.865 19 Q CB -0.233 28.551 28.738 0.076 0.000 0.922 19 Q HN 0.612 nan 8.270 nan 0.000 0.445 20 Q N 1.305 121.116 119.800 0.018 0.000 2.046 20 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 20 Q C 1.782 177.764 176.000 -0.029 0.000 0.975 20 Q CA 1.963 57.758 55.803 -0.013 0.000 0.836 20 Q CB 0.047 28.781 28.738 -0.007 0.000 0.896 20 Q HN 0.565 nan 8.270 nan 0.000 0.428 21 E N -0.416 119.776 120.200 -0.013 0.000 2.077 21 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 21 E C 1.987 178.573 176.600 -0.023 0.000 0.989 21 E CA 1.226 57.614 56.400 -0.021 0.000 0.800 21 E CB -0.027 29.666 29.700 -0.011 0.000 0.746 21 E HN 0.102 nan 8.360 nan 0.000 0.452 22 V N 1.514 121.431 119.914 0.004 0.000 2.343 22 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 22 V C 2.304 178.394 176.094 -0.006 0.000 1.051 22 V CA 1.462 63.773 62.300 0.019 0.000 1.036 22 V CB -0.366 31.526 31.823 0.116 0.000 0.654 22 V HN 0.237 nan 8.190 nan 0.000 0.451 23 L N 0.884 122.100 121.223 -0.012 0.000 2.046 23 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 23 L C 2.419 179.202 176.870 -0.145 0.000 1.077 23 L CA 2.424 57.229 54.840 -0.058 0.000 0.747 23 L CB -0.951 41.005 42.059 -0.172 0.000 0.896 23 L HN 0.212 nan 8.230 nan 0.000 0.432 24 A N -1.370 121.372 122.820 -0.131 0.000 1.877 24 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 24 A C 2.392 179.903 177.584 -0.121 0.000 1.186 24 A CA 2.006 53.959 52.037 -0.140 0.000 0.620 24 A CB -1.032 17.909 19.000 -0.100 0.000 0.822 24 A HN 0.530 nan 8.150 nan 0.000 0.443 25 S N -0.102 115.544 115.700 -0.090 0.000 2.368 25 S HA -0.100 4.369 4.470 -0.000 0.000 0.225 25 S C 1.838 176.384 174.600 -0.091 0.000 1.030 25 S CA 1.451 59.600 58.200 -0.085 0.000 0.999 25 S CB -0.490 62.660 63.200 -0.084 0.000 0.844 25 S HN 0.499 nan 8.310 nan 0.000 0.459 26 L N 0.849 122.023 121.223 -0.082 0.000 2.042 26 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 26 L C 2.703 179.588 176.870 0.024 0.000 1.076 26 L CA 1.360 56.197 54.840 -0.006 0.000 0.749 26 L CB -0.443 41.703 42.059 0.146 0.000 0.893 26 L HN 0.228 nan 8.230 nan 0.000 0.432 27 R N -0.366 120.035 120.500 -0.165 0.000 2.092 27 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 27 R C 2.042 178.255 176.300 -0.146 0.000 1.119 27 R CA 0.927 56.847 56.100 -0.300 0.000 0.970 27 R CB -0.104 29.902 30.300 -0.490 0.000 0.864 27 R HN 0.324 nan 8.270 nan 0.000 0.440 28 E N -0.474 119.659 120.200 -0.112 0.000 2.435 28 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 28 E C 0.931 177.502 176.600 -0.048 0.000 1.029 28 E CA 0.727 57.082 56.400 -0.075 0.000 0.865 28 E CB 0.293 29.952 29.700 -0.070 0.000 0.833 28 E HN 0.497 nan 8.360 nan 0.000 0.510 29 G N 2.773 111.549 108.800 -0.041 0.000 2.273 29 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 29 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 29 G C 0.209 175.087 174.900 -0.036 0.000 1.047 29 G CA 0.753 45.835 45.100 -0.030 0.000 0.869 29 G HN 0.261 nan 8.290 nan 0.000 0.502 30 R N 0.193 120.665 120.500 -0.047 0.000 2.340 30 R HA 0.517 4.857 4.340 -0.000 0.000 0.300 30 R C 0.769 177.046 176.300 -0.038 0.000 1.069 30 R CA 0.209 56.286 56.100 -0.038 0.000 0.984 30 R CB 0.602 30.878 30.300 -0.041 0.000 1.003 30 R HN 0.247 nan 8.270 nan 0.000 0.459 31 S N 2.167 117.855 115.700 -0.020 0.000 2.548 31 S HA 0.217 4.687 4.470 -0.000 0.000 0.277 31 S C 0.939 175.539 174.600 0.000 0.000 1.315 31 S CA -0.220 57.974 58.200 -0.010 0.000 1.050 31 S CB 1.121 64.326 63.200 0.009 0.000 0.918 31 S HN 0.808 nan 8.310 nan 0.000 0.497 32 G N 4.114 112.915 108.800 0.001 0.000 3.284 32 G HA2 0.224 4.184 3.960 -0.000 0.000 0.236 32 G HA3 0.224 4.184 3.960 -0.000 0.000 0.236 32 G C 0.096 175.028 174.900 0.054 0.000 1.158 32 G CA -0.218 44.889 45.100 0.013 0.000 0.774 32 G HN 0.597 nan 8.290 nan 0.000 0.545 33 I N 2.357 122.973 120.570 0.076 0.000 2.365 33 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 33 I C 0.569 176.789 176.117 0.172 0.000 1.004 33 I CA -0.735 60.646 61.300 0.135 0.000 1.311 33 I CB 0.609 38.681 38.000 0.120 0.000 1.401 33 I HN 0.047 nan 8.210 nan 0.000 0.491 34 T N 2.705 117.420 114.554 0.267 0.000 2.906 34 T HA 0.557 4.906 4.350 -0.000 0.000 0.295 34 T C -0.449 174.417 174.700 0.278 0.000 1.075 34 T CA -0.730 61.540 62.100 0.284 0.000 1.005 34 T CB 1.762 70.816 68.868 0.310 0.000 1.136 34 T HN 0.222 nan 8.240 nan 0.000 0.498 35 F N 1.780 121.785 119.950 0.091 0.000 2.518 35 F HA 0.519 5.046 4.527 -0.000 0.000 0.359 35 F C 0.472 176.190 175.800 -0.137 0.000 1.118 35 F CA 0.006 58.002 58.000 -0.007 0.000 1.287 35 F CB 0.798 39.803 39.000 0.008 0.000 1.132 35 F HN 0.692 nan 8.300 nan 0.000 0.587 36 S N 4.823 119.709 115.700 -1.358 0.000 2.640 36 S HA 0.201 4.671 4.470 -0.000 0.000 0.320 36 S C 0.480 174.220 174.600 -1.433 0.000 1.097 36 S CA -0.688 56.630 58.200 -1.470 0.000 1.092 36 S CB 1.338 63.230 63.200 -2.179 0.000 0.988 36 S HN 0.892 nan 8.310 nan 0.000 0.470 37 Q N 3.520 122.815 119.800 -0.842 0.000 2.079 37 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 37 Q C 1.793 177.563 176.000 -0.382 0.000 0.974 37 Q CA 2.387 57.939 55.803 -0.417 0.000 0.840 37 Q CB -0.230 28.474 28.738 -0.056 0.000 0.898 37 Q HN 0.917 nan 8.270 nan 0.000 0.430 38 E N -0.333 119.651 120.200 -0.361 0.000 2.033 38 E HA -0.232 4.117 4.350 -0.000 0.000 0.199 38 E C 1.886 178.308 176.600 -0.297 0.000 1.011 38 E CA 1.643 57.903 56.400 -0.234 0.000 0.815 38 E CB -0.319 29.363 29.700 -0.030 0.000 0.755 38 E HN 0.472 nan 8.360 nan 0.000 0.451 39 L N 0.577 121.515 121.223 -0.475 0.000 2.042 39 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 39 L C 2.931 179.636 176.870 -0.275 0.000 1.076 39 L CA 1.650 56.316 54.840 -0.291 0.000 0.749 39 L CB -0.589 41.275 42.059 -0.325 0.000 0.893 39 L HN 0.209 nan 8.230 nan 0.000 0.432 40 K N 0.286 120.402 120.400 -0.473 0.000 2.009 40 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 40 K C 1.696 178.083 176.600 -0.354 0.000 1.049 40 K CA 1.926 57.853 56.287 -0.601 0.000 0.929 40 K CB -0.028 32.060 32.500 -0.686 0.000 0.714 40 K HN 0.201 nan 8.250 nan 0.000 0.440 41 D N 0.124 120.346 120.400 -0.296 0.000 2.221 41 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 41 D C 1.848 177.972 176.300 -0.293 0.000 0.982 41 D CA 1.532 55.386 54.000 -0.243 0.000 0.857 41 D CB -0.154 40.522 40.800 -0.208 0.000 0.934 41 D HN 0.345 nan 8.370 nan 0.000 0.475 42 S N -1.142 114.350 115.700 -0.346 0.000 2.522 42 S HA 0.171 4.641 4.470 -0.000 0.000 0.227 42 S C 1.746 176.174 174.600 -0.287 0.000 0.986 42 S CA 0.895 58.807 58.200 -0.480 0.000 0.929 42 S CB 0.266 63.176 63.200 -0.484 0.000 0.769 42 S HN 0.322 nan 8.310 nan 0.000 0.529 43 G N 0.633 109.326 108.800 -0.179 0.000 2.157 43 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.239 43 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.239 43 G C 0.042 174.937 174.900 -0.008 0.000 0.982 43 G CA 0.168 45.214 45.100 -0.090 0.000 0.650 43 G HN 0.500 nan 8.290 nan 0.000 0.527 44 M N -0.443 119.170 119.600 0.021 0.000 2.207 44 M HA 0.351 4.830 4.480 -0.000 0.000 0.311 44 M C 1.901 178.305 176.300 0.173 0.000 1.127 44 M CA 0.211 55.566 55.300 0.091 0.000 1.181 44 M CB 0.436 33.099 32.600 0.105 0.000 1.409 44 M HN 0.188 nan 8.290 nan 0.000 0.461 45 R N -0.306 120.238 120.500 0.072 0.000 2.189 45 R HA 0.094 4.434 4.340 -0.000 0.000 0.203 45 R C 0.471 176.613 176.300 -0.265 0.000 1.012 45 R CA 0.225 56.300 56.100 -0.041 0.000 1.015 45 R CB 0.223 30.496 30.300 -0.046 0.000 0.938 45 R HN 0.556 nan 8.270 nan 0.000 0.472 46 S N 0.558 116.192 115.700 -0.110 0.000 2.452 46 S HA 0.125 4.595 4.470 -0.000 0.000 0.284 46 S C -0.140 174.441 174.600 -0.031 0.000 1.171 46 S CA -0.594 57.530 58.200 -0.127 0.000 1.064 46 S CB 0.290 63.461 63.200 -0.049 0.000 0.967 46 S HN 0.341 nan 8.310 nan 0.000 0.484 47 H N 2.932 121.959 119.070 -0.072 0.000 2.475 47 H HA 0.354 4.910 4.556 -0.000 0.000 0.276 47 H C -0.041 175.103 175.328 -0.306 0.000 1.126 47 H CA -0.651 55.260 56.048 -0.229 0.000 1.023 47 H CB 0.403 30.091 29.762 -0.123 0.000 1.669 47 H HN 0.440 nan 8.280 nan 0.000 0.573 48 V N -1.715 118.165 119.914 -0.057 0.000 2.914 48 V HA 0.637 4.757 4.120 -0.000 0.000 0.314 48 V C -1.320 174.862 176.094 0.148 0.000 1.084 48 V CA -0.967 61.341 62.300 0.013 0.000 0.963 48 V CB 2.159 34.054 31.823 0.120 0.000 1.025 48 V HN 0.410 nan 8.190 nan 0.000 0.432 49 W N 1.189 122.512 121.300 0.038 0.000 3.146 49 W HA 0.811 5.471 4.660 -0.000 0.000 0.319 49 W C -0.320 176.227 176.519 0.046 0.000 1.258 49 W CA -1.715 55.656 57.345 0.043 0.000 1.189 49 W CB 0.899 30.379 29.460 0.033 0.000 1.412 49 W HN 1.034 nan 8.180 nan 0.000 0.567 50 G N 3.573 112.488 108.800 0.192 0.000 2.857 50 G HA2 0.307 4.267 3.960 -0.000 0.000 0.326 50 G HA3 0.307 4.267 3.960 -0.000 0.000 0.326 50 G C -0.278 174.510 174.900 -0.187 0.000 0.950 50 G CA -0.636 44.481 45.100 0.027 0.000 1.400 50 G HN 0.566 nan 8.290 nan 0.000 0.473 51 N N 1.093 119.593 118.700 -0.334 0.000 2.530 51 N HA 0.168 4.908 4.740 -0.000 0.000 0.277 51 N C -0.147 175.189 175.510 -0.290 0.000 1.168 51 N CA -0.558 52.173 53.050 -0.531 0.000 0.979 51 N CB 1.878 39.950 38.487 -0.693 0.000 1.141 51 N HN -0.029 nan 8.380 nan 0.000 0.459 52 V N 1.553 121.277 119.914 -0.317 0.000 2.521 52 V HA 0.036 4.156 4.120 -0.000 0.000 0.286 52 V C 0.715 176.729 176.094 -0.133 0.000 1.034 52 V CA -0.082 62.060 62.300 -0.263 0.000 1.045 52 V CB 0.100 31.652 31.823 -0.451 0.000 0.974 52 V HN 0.661 nan 8.190 nan 0.000 0.480 53 K N 4.978 125.330 120.400 -0.081 0.000 3.129 53 K HA 0.428 4.748 4.320 -0.000 0.000 0.224 53 K C -0.765 175.830 176.600 -0.008 0.000 1.249 53 K CA -0.202 56.069 56.287 -0.025 0.000 1.177 53 K CB 0.483 32.979 32.500 -0.006 0.000 1.393 53 K HN 0.448 nan 8.250 nan 0.000 0.459 54 L N 0.664 121.886 121.223 -0.002 0.000 2.341 54 L HA 0.402 4.741 4.340 -0.000 0.000 0.278 54 L C -1.079 175.821 176.870 0.050 0.000 1.005 54 L CA -0.621 54.234 54.840 0.026 0.000 0.818 54 L CB 1.463 43.541 42.059 0.033 0.000 1.259 54 L HN 0.082 nan 8.230 nan 0.000 0.418 55 D N 2.043 122.471 120.400 0.046 0.000 2.336 55 D HA 0.139 4.779 4.640 -0.000 0.000 0.249 55 D C 0.928 177.260 176.300 0.053 0.000 1.213 55 D CA 0.377 54.405 54.000 0.048 0.000 0.870 55 D CB 1.241 42.063 40.800 0.036 0.000 1.076 55 D HN 0.718 nan 8.370 nan 0.000 0.483 56 T N -0.113 114.478 114.554 0.062 0.000 3.081 56 T HA 0.026 4.375 4.350 -0.000 0.000 0.250 56 T C 0.819 175.532 174.700 0.022 0.000 1.100 56 T CA -0.235 61.901 62.100 0.060 0.000 1.038 56 T CB -0.428 68.489 68.868 0.081 0.000 0.962 56 T HN 0.284 nan 8.240 nan 0.000 0.516 57 T N 2.518 117.080 114.554 0.012 0.000 2.849 57 T HA 0.365 4.715 4.350 -0.000 0.000 0.289 57 T C 1.556 176.251 174.700 -0.008 0.000 1.010 57 T CA 1.049 63.145 62.100 -0.007 0.000 1.161 57 T CB -0.160 68.708 68.868 -0.001 0.000 0.989 57 T HN 0.810 nan 8.240 nan 0.000 0.523 58 G N 2.574 111.358 108.800 -0.027 0.000 2.179 58 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 58 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 58 G C 0.761 175.654 174.900 -0.013 0.000 0.977 58 G CA 0.275 45.361 45.100 -0.024 0.000 0.641 58 G HN 0.688 nan 8.290 nan 0.000 0.533 59 L N -0.132 121.088 121.223 -0.004 0.000 2.509 59 L HA 0.432 4.772 4.340 -0.000 0.000 0.222 59 L C 1.022 177.909 176.870 0.028 0.000 1.123 59 L CA 0.517 55.377 54.840 0.033 0.000 0.856 59 L CB 0.041 42.141 42.059 0.069 0.000 0.985 59 L HN 0.263 nan 8.230 nan 0.000 0.456 60 I N -0.756 119.772 120.570 -0.069 0.000 2.582 60 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 60 I C -0.529 175.477 176.117 -0.186 0.000 1.066 60 I CA -0.991 60.188 61.300 -0.200 0.000 1.053 60 I CB 2.283 40.018 38.000 -0.442 0.000 1.241 60 I HN -0.160 nan 8.210 nan 0.000 0.421 61 D N 4.304 124.598 120.400 -0.176 0.000 2.525 61 D HA -0.073 4.567 4.640 -0.000 0.000 0.235 61 D C 1.304 177.507 176.300 -0.163 0.000 1.137 61 D CA 0.483 54.404 54.000 -0.132 0.000 0.868 61 D CB 1.049 41.789 40.800 -0.101 0.000 1.180 61 D HN 0.548 nan 8.370 nan 0.000 0.465 62 R N 2.976 123.396 120.500 -0.133 0.000 2.103 62 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 62 R C 1.419 177.604 176.300 -0.191 0.000 1.142 62 R CA 1.596 57.600 56.100 -0.160 0.000 0.960 62 R CB 0.049 30.274 30.300 -0.126 0.000 0.858 62 R HN 0.459 nan 8.270 nan 0.000 0.439 63 K N -0.307 120.016 120.400 -0.128 0.000 2.432 63 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 63 K C 1.718 178.312 176.600 -0.010 0.000 1.038 63 K CA 0.541 56.774 56.287 -0.090 0.000 0.986 63 K CB 0.489 32.987 32.500 -0.003 0.000 0.782 63 K HN 0.100 nan 8.250 nan 0.000 0.485 64 V N 0.066 119.937 119.914 -0.073 0.000 2.374 64 V HA -0.111 4.009 4.120 -0.000 0.000 0.241 64 V C 1.913 177.939 176.094 -0.114 0.000 1.034 64 V CA 0.971 63.239 62.300 -0.052 0.000 1.037 64 V CB 0.224 31.906 31.823 -0.234 0.000 0.682 64 V HN 0.063 nan 8.190 nan 0.000 0.463 65 V N 2.253 122.012 119.914 -0.259 0.000 2.970 65 V HA -0.161 3.959 4.120 -0.000 0.000 0.260 65 V C 2.703 178.596 176.094 -0.335 0.000 1.100 65 V CA 1.883 64.007 62.300 -0.293 0.000 1.122 65 V CB -0.662 30.985 31.823 -0.293 0.000 0.721 65 V HN 0.704 nan 8.190 nan 0.000 0.483 66 R N -1.046 119.174 120.500 -0.468 0.000 2.241 66 R HA -0.115 4.225 4.340 -0.000 0.000 0.224 66 R C 1.670 177.483 176.300 -0.811 0.000 1.101 66 R CA 1.883 57.515 56.100 -0.780 0.000 0.995 66 R CB -0.671 28.954 30.300 -1.125 0.000 0.870 66 R HN 0.495 nan 8.270 nan 0.000 0.463 67 F N 0.761 120.548 119.950 -0.272 0.000 2.765 67 F HA 0.341 4.868 4.527 -0.000 0.000 0.302 67 F C 0.898 176.572 175.800 -0.211 0.000 1.111 67 F CA 0.039 57.949 58.000 -0.149 0.000 1.359 67 F CB 0.152 39.115 39.000 -0.062 0.000 1.097 67 F HN -0.106 nan 8.300 nan 0.000 0.577 68 M N 0.070 119.575 119.600 -0.159 0.000 2.336 68 M HA 0.299 4.779 4.480 -0.000 0.000 0.342 68 M C 0.410 176.525 176.300 -0.308 0.000 1.128 68 M CA -0.625 54.568 55.300 -0.178 0.000 1.016 68 M CB 1.731 34.226 32.600 -0.175 0.000 1.665 68 M HN 0.015 nan 8.290 nan 0.000 0.445 69 S N 0.485 116.040 115.700 -0.242 0.000 2.707 69 S HA 0.286 4.756 4.470 -0.000 0.000 0.276 69 S C 0.410 174.925 174.600 -0.142 0.000 1.179 69 S CA -0.737 57.368 58.200 -0.158 0.000 0.992 69 S CB 0.896 64.095 63.200 -0.002 0.000 1.030 69 S HN 0.666 nan 8.310 nan 0.000 0.554 70 D N 0.982 121.300 120.400 -0.137 0.000 2.182 70 D HA -0.037 4.603 4.640 -0.000 0.000 0.201 70 D C 2.161 178.122 176.300 -0.565 0.000 0.986 70 D CA 1.672 55.397 54.000 -0.459 0.000 0.847 70 D CB -0.866 39.656 40.800 -0.463 0.000 0.942 70 D HN 0.672 nan 8.370 nan 0.000 0.467 71 A N 0.486 123.187 122.820 -0.198 0.000 1.908 71 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 71 A C 2.449 180.025 177.584 -0.014 0.000 1.181 71 A CA 1.926 53.944 52.037 -0.033 0.000 0.627 71 A CB -0.561 18.468 19.000 0.049 0.000 0.818 71 A HN 0.178 nan 8.150 nan 0.000 0.445 72 S N -0.314 115.363 115.700 -0.038 0.000 2.383 72 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 72 S C 1.789 176.410 174.600 0.034 0.000 1.026 72 S CA 1.256 59.467 58.200 0.019 0.000 0.981 72 S CB -0.461 62.741 63.200 0.004 0.000 0.818 72 S HN 0.539 nan 8.310 nan 0.000 0.472 73 I N 0.521 121.028 120.570 -0.105 0.000 2.142 73 I HA -0.227 3.942 4.170 -0.000 0.000 0.240 73 I C 2.091 178.280 176.117 0.121 0.000 1.078 73 I CA 1.393 62.651 61.300 -0.069 0.000 1.343 73 I CB -0.503 37.362 38.000 -0.225 0.000 1.046 73 I HN 0.258 nan 8.210 nan 0.000 0.405 74 Y N 0.929 121.278 120.300 0.082 0.000 2.165 74 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 74 Y C 2.682 178.632 175.900 0.084 0.000 1.155 74 Y CA 0.812 58.954 58.100 0.070 0.000 1.164 74 Y CB -1.455 37.025 38.460 0.033 0.000 0.978 74 Y HN 0.146 nan 8.280 nan 0.000 0.513 75 A N -0.441 122.527 122.820 0.248 0.000 1.898 75 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 75 A C 2.202 179.888 177.584 0.170 0.000 1.181 75 A CA 1.320 53.455 52.037 0.162 0.000 0.620 75 A CB -1.336 17.741 19.000 0.128 0.000 0.819 75 A HN 0.423 nan 8.150 nan 0.000 0.442 76 F N 0.730 120.742 119.950 0.104 0.000 2.102 76 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 76 F C 1.898 177.797 175.800 0.165 0.000 1.105 76 F CA 1.857 59.964 58.000 0.177 0.000 1.239 76 F CB -0.283 38.796 39.000 0.132 0.000 0.991 76 F HN 0.140 nan 8.300 nan 0.000 0.474 77 L N -0.598 120.846 121.223 0.367 0.000 2.083 77 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 77 L C 2.512 179.412 176.870 0.050 0.000 1.083 77 L CA 1.404 56.376 54.840 0.220 0.000 0.752 77 L CB -0.959 41.247 42.059 0.245 0.000 0.899 77 L HN 0.097 nan 8.230 nan 0.000 0.433 78 S N -0.363 115.363 115.700 0.043 0.000 2.368 78 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 78 S C 1.931 176.457 174.600 -0.123 0.000 1.030 78 S CA 1.617 59.802 58.200 -0.024 0.000 0.999 78 S CB -0.233 62.962 63.200 -0.009 0.000 0.844 78 S HN 0.364 nan 8.310 nan 0.000 0.459 79 M N 1.424 120.891 119.600 -0.222 0.000 2.132 79 M HA -0.099 4.380 4.480 -0.000 0.000 0.263 79 M C 1.988 177.965 176.300 -0.538 0.000 1.065 79 M CA 1.431 56.442 55.300 -0.483 0.000 1.122 79 M CB -0.148 31.986 32.600 -0.777 0.000 1.365 79 M HN 0.230 nan 8.290 nan 0.000 0.411 80 E N -0.142 119.834 120.200 -0.372 0.000 2.058 80 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 80 E C 2.050 178.576 176.600 -0.124 0.000 0.997 80 E CA 1.684 57.967 56.400 -0.196 0.000 0.801 80 E CB -0.199 29.451 29.700 -0.083 0.000 0.746 80 E HN 0.678 nan 8.360 nan 0.000 0.450 81 Q N -0.015 119.733 119.800 -0.086 0.000 2.084 81 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 81 Q C 2.194 178.168 176.000 -0.044 0.000 0.978 81 Q CA 1.338 57.119 55.803 -0.038 0.000 0.844 81 Q CB -0.150 28.577 28.738 -0.019 0.000 0.898 81 Q HN 0.226 nan 8.270 nan 0.000 0.426 82 A N 0.739 123.507 122.820 -0.088 0.000 1.898 82 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 82 A C 2.012 179.579 177.584 -0.029 0.000 1.181 82 A CA 1.045 53.053 52.037 -0.048 0.000 0.620 82 A CB -0.551 18.416 19.000 -0.055 0.000 0.819 82 A HN 0.296 nan 8.150 nan 0.000 0.442 83 I N -0.268 120.225 120.570 -0.127 0.000 2.226 83 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 83 I C 2.972 179.076 176.117 -0.023 0.000 1.100 83 I CA 1.055 62.279 61.300 -0.127 0.000 1.374 83 I CB -0.279 37.510 38.000 -0.351 0.000 1.057 83 I HN 0.362 nan 8.210 nan 0.000 0.413 84 A N 0.261 123.074 122.820 -0.012 0.000 1.877 84 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 84 A C 2.013 179.624 177.584 0.045 0.000 1.186 84 A CA 2.323 54.376 52.037 0.027 0.000 0.620 84 A CB -0.744 18.271 19.000 0.026 0.000 0.822 84 A HN 0.439 nan 8.150 nan 0.000 0.443 85 D N -0.315 120.118 120.400 0.054 0.000 2.178 85 D HA -0.002 4.637 4.640 -0.000 0.000 0.201 85 D C 1.874 178.250 176.300 0.127 0.000 0.980 85 D CA 1.423 55.484 54.000 0.101 0.000 0.842 85 D CB -0.157 40.727 40.800 0.140 0.000 0.948 85 D HN 0.340 nan 8.370 nan 0.000 0.472 86 A N -0.673 122.211 122.820 0.107 0.000 2.119 86 A HA 0.352 4.672 4.320 -0.000 0.000 0.216 86 A C 1.887 179.520 177.584 0.082 0.000 1.152 86 A CA 1.182 53.281 52.037 0.104 0.000 0.708 86 A CB -0.563 18.478 19.000 0.068 0.000 0.805 86 A HN 0.493 nan 8.150 nan 0.000 0.460 87 G N -1.147 107.696 108.800 0.071 0.000 2.160 87 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 87 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 87 G C -0.069 174.884 174.900 0.087 0.000 1.022 87 G CA 0.290 45.430 45.100 0.067 0.000 0.741 87 G HN 0.450 nan 8.290 nan 0.000 0.508 88 L N 1.250 122.538 121.223 0.109 0.000 2.305 88 L HA 0.530 4.870 4.340 -0.000 0.000 0.281 88 L C 0.722 177.747 176.870 0.258 0.000 1.085 88 L CA -0.527 54.423 54.840 0.183 0.000 0.813 88 L CB 1.551 43.724 42.059 0.191 0.000 1.157 88 L HN 0.180 nan 8.230 nan 0.000 0.436 89 S N 3.498 119.342 115.700 0.240 0.000 2.617 89 S HA 0.316 4.786 4.470 -0.000 0.000 0.283 89 S C -1.725 172.971 174.600 0.160 0.000 1.189 89 S CA -1.162 57.154 58.200 0.193 0.000 1.036 89 S CB 1.585 64.841 63.200 0.094 0.000 1.014 89 S HN 0.430 nan 8.310 nan 0.000 0.522 90 P HA -0.109 nan 4.420 nan 0.000 0.216 90 P C 0.853 177.969 177.300 -0.307 0.000 1.150 90 P CA 1.049 63.911 63.100 -0.398 0.000 0.837 90 P CB 0.093 31.668 31.700 -0.209 0.000 0.786 91 E N -0.289 119.839 120.200 -0.120 0.000 2.147 91 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 91 E C 2.081 178.647 176.600 -0.056 0.000 1.005 91 E CA 1.861 58.215 56.400 -0.077 0.000 0.810 91 E CB -0.920 28.764 29.700 -0.027 0.000 0.736 91 E HN 0.238 nan 8.360 nan 0.000 0.460 92 A N -0.100 122.717 122.820 -0.005 0.000 1.903 92 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 92 A C 1.972 179.624 177.584 0.113 0.000 1.185 92 A CA 1.291 53.375 52.037 0.079 0.000 0.628 92 A CB -0.451 18.639 19.000 0.150 0.000 0.830 92 A HN 0.498 nan 8.150 nan 0.000 0.446 93 Y N -1.004 119.342 120.300 0.077 0.000 2.498 93 Y HA 0.432 4.982 4.550 -0.000 0.000 0.259 93 Y C 0.811 176.749 175.900 0.063 0.000 1.086 93 Y CA -0.511 57.648 58.100 0.099 0.000 1.287 93 Y CB -0.250 38.330 38.460 0.201 0.000 1.146 93 Y HN 0.205 nan 8.280 nan 0.000 0.523 94 Q N 2.003 121.495 119.800 -0.513 0.000 2.306 94 Q HA 0.175 4.515 4.340 -0.000 0.000 0.241 94 Q C -0.218 175.599 176.000 -0.304 0.000 0.948 94 Q CA -0.313 55.258 55.803 -0.386 0.000 0.886 94 Q CB 0.469 28.929 28.738 -0.462 0.000 1.227 94 Q HN 0.448 nan 8.270 nan 0.000 0.457 95 N N 1.793 120.197 118.700 -0.493 0.000 2.727 95 N HA -0.214 4.526 4.740 -0.000 0.000 0.249 95 N C -1.009 174.274 175.510 -0.378 0.000 1.048 95 N CA 0.170 52.689 53.050 -0.885 0.000 0.714 95 N CB -0.615 37.607 38.487 -0.442 0.000 0.959 95 N HN 0.496 nan 8.380 nan 0.000 0.544 96 N N 0.416 119.000 118.700 -0.193 0.000 2.491 96 N HA 0.236 4.976 4.740 -0.000 0.000 0.274 96 N C -1.817 173.750 175.510 0.095 0.000 1.023 96 N CA -1.983 51.069 53.050 0.002 0.000 0.902 96 N CB 1.423 39.921 38.487 0.018 0.000 1.267 96 N HN -0.101 nan 8.380 nan 0.000 0.503 97 P HA -0.056 nan 4.420 nan 0.000 0.225 97 P C 0.420 177.758 177.300 0.064 0.000 1.148 97 P CA 0.744 63.917 63.100 0.122 0.000 0.779 97 P CB 0.455 32.210 31.700 0.091 0.000 0.780 98 R N -0.277 120.244 120.500 0.036 0.000 2.334 98 R HA 0.224 4.564 4.340 -0.000 0.000 0.220 98 R C 0.153 176.429 176.300 -0.040 0.000 0.917 98 R CA 0.045 56.138 56.100 -0.013 0.000 1.073 98 R CB 0.171 30.448 30.300 -0.037 0.000 1.056 98 R HN 0.143 nan 8.270 nan 0.000 0.506 99 V N 0.260 120.182 119.914 0.013 0.000 2.487 99 V HA 0.622 4.742 4.120 -0.000 0.000 0.298 99 V C 0.403 176.538 176.094 0.068 0.000 1.028 99 V CA -0.798 61.514 62.300 0.020 0.000 0.860 99 V CB 1.801 33.699 31.823 0.125 0.000 0.991 99 V HN 0.298 nan 8.190 nan 0.000 0.427 100 G N 3.093 111.904 108.800 0.019 0.000 2.816 100 G HA2 0.796 4.756 3.960 -0.000 0.000 0.288 100 G HA3 0.796 4.756 3.960 -0.000 0.000 0.288 100 G C -1.897 173.045 174.900 0.069 0.000 1.334 100 G CA -0.748 44.363 45.100 0.019 0.000 0.978 100 G HN 0.675 nan 8.290 nan 0.000 0.493 101 L N -0.272 120.946 121.223 -0.008 0.000 2.476 101 L HA 0.726 5.065 4.340 -0.000 0.000 0.269 101 L C -1.458 175.334 176.870 -0.130 0.000 0.965 101 L CA -0.535 54.311 54.840 0.009 0.000 0.845 101 L CB 1.656 43.740 42.059 0.042 0.000 1.259 101 L HN 0.433 nan 8.230 nan 0.000 0.403 102 I N 5.335 125.835 120.570 -0.116 0.000 2.476 102 I HA 0.825 4.995 4.170 -0.000 0.000 0.281 102 I C -0.499 175.603 176.117 -0.026 0.000 1.040 102 I CA -0.392 60.823 61.300 -0.142 0.000 1.094 102 I CB 1.724 39.614 38.000 -0.182 0.000 1.219 102 I HN 0.806 nan 8.210 nan 0.000 0.450 103 A N 4.340 127.171 122.820 0.018 0.000 2.517 103 A HA 0.923 5.242 4.320 -0.000 0.000 0.297 103 A C -0.680 176.946 177.584 0.071 0.000 1.050 103 A CA -0.413 51.648 52.037 0.040 0.000 0.694 103 A CB 1.710 20.728 19.000 0.029 0.000 1.277 103 A HN 0.751 nan 8.150 nan 0.000 0.400 104 G N -0.042 108.804 108.800 0.078 0.000 2.949 104 G HA2 0.840 4.799 3.960 -0.000 0.000 0.285 104 G HA3 0.840 4.799 3.960 -0.000 0.000 0.285 104 G C -0.485 174.467 174.900 0.088 0.000 1.395 104 G CA 0.078 45.233 45.100 0.092 0.000 0.901 104 G HN 1.839 nan 8.290 nan 0.000 0.519 105 S N -1.943 113.813 115.700 0.093 0.000 2.599 105 S HA 0.651 5.121 4.470 -0.000 0.000 0.287 105 S C 0.963 175.627 174.600 0.106 0.000 1.105 105 S CA 0.167 58.425 58.200 0.096 0.000 0.899 105 S CB 1.614 64.869 63.200 0.091 0.000 1.100 105 S HN 1.372 nan 8.310 nan 0.000 0.482 106 G N 0.069 108.937 108.800 0.115 0.000 2.430 106 G HA2 0.294 4.253 3.960 -0.000 0.000 0.216 106 G HA3 0.294 4.253 3.960 -0.000 0.000 0.216 106 G C 0.911 175.895 174.900 0.139 0.000 1.146 106 G CA 0.463 45.647 45.100 0.140 0.000 0.793 106 G HN 1.125 nan 8.290 nan 0.000 0.537 107 G N -1.290 107.587 108.800 0.127 0.000 2.944 107 G HA2 0.451 4.411 3.960 -0.000 0.000 0.223 107 G HA3 0.451 4.411 3.960 -0.000 0.000 0.223 107 G C 1.046 175.999 174.900 0.089 0.000 1.071 107 G CA 0.849 46.019 45.100 0.116 0.000 0.806 107 G HN 1.168 nan 8.290 nan 0.000 0.538 108 G N 0.188 109.040 108.800 0.087 0.000 2.536 108 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.277 108 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.277 108 G C 0.295 175.247 174.900 0.086 0.000 1.155 108 G CA 0.614 45.762 45.100 0.080 0.000 0.960 108 G HN 1.379 nan 8.290 nan 0.000 0.544 109 S N 1.579 117.337 115.700 0.097 0.000 2.389 109 S HA 0.650 5.120 4.470 -0.000 0.000 0.201 109 S C -1.201 173.452 174.600 0.089 0.000 1.422 109 S CA -0.021 58.252 58.200 0.122 0.000 1.216 109 S CB 1.674 65.009 63.200 0.226 0.000 1.130 109 S HN 0.308 nan 8.310 nan 0.000 0.465 110 P HA -0.145 nan 4.420 nan 0.000 0.217 110 P C 1.485 178.728 177.300 -0.095 0.000 1.148 110 P CA 0.800 63.880 63.100 -0.032 0.000 0.828 110 P CB 0.116 31.776 31.700 -0.067 0.000 0.783 111 R N -1.073 119.347 120.500 -0.133 0.000 2.083 111 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 111 R C 1.853 177.990 176.300 -0.271 0.000 1.137 111 R CA 1.673 57.610 56.100 -0.273 0.000 0.951 111 R CB -0.876 29.223 30.300 -0.336 0.000 0.851 111 R HN 0.094 nan 8.270 nan 0.000 0.434 112 F N 0.414 120.373 119.950 0.016 0.000 2.367 112 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 112 F C 2.518 178.403 175.800 0.141 0.000 1.094 112 F CA 0.864 58.917 58.000 0.088 0.000 1.409 112 F CB -0.275 38.743 39.000 0.030 0.000 1.064 112 F HN 0.142 nan 8.300 nan 0.000 0.528 113 Q N 0.676 120.590 119.800 0.191 0.000 2.046 113 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 113 Q C 2.167 178.214 176.000 0.079 0.000 0.975 113 Q CA 1.912 57.790 55.803 0.125 0.000 0.836 113 Q CB -0.679 28.100 28.738 0.069 0.000 0.896 113 Q HN 0.243 nan 8.270 nan 0.000 0.428 114 V N 0.739 120.667 119.914 0.023 0.000 2.343 114 V HA -0.201 3.918 4.120 -0.000 0.000 0.247 114 V C 2.060 178.171 176.094 0.027 0.000 1.051 114 V CA 1.817 64.113 62.300 -0.007 0.000 1.036 114 V CB -0.863 30.908 31.823 -0.088 0.000 0.654 114 V HN 0.462 nan 8.190 nan 0.000 0.451 115 F N 2.128 122.032 119.950 -0.076 0.000 2.126 115 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 115 F C 2.158 177.974 175.800 0.027 0.000 1.096 115 F CA 1.819 59.791 58.000 -0.045 0.000 1.255 115 F CB -0.875 38.059 39.000 -0.110 0.000 0.997 115 F HN 0.133 nan 8.300 nan 0.000 0.479 116 G N -0.090 108.738 108.800 0.047 0.000 2.459 116 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 116 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 116 G C 1.828 176.647 174.900 -0.135 0.000 1.183 116 G CA 1.112 46.198 45.100 -0.024 0.000 0.776 116 G HN 0.650 nan 8.290 nan 0.000 0.552 117 A N 0.884 123.662 122.820 -0.070 0.000 1.902 117 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 117 A C 2.104 179.628 177.584 -0.101 0.000 1.181 117 A CA 2.166 54.165 52.037 -0.063 0.000 0.623 117 A CB -0.425 18.560 19.000 -0.024 0.000 0.818 117 A HN 0.297 nan 8.150 nan 0.000 0.443 118 D N 0.116 120.434 120.400 -0.137 0.000 2.144 118 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 118 D C 2.180 178.360 176.300 -0.200 0.000 0.984 118 D CA 1.524 55.442 54.000 -0.136 0.000 0.834 118 D CB -0.392 40.347 40.800 -0.101 0.000 0.955 118 D HN 0.434 nan 8.370 nan 0.000 0.465 119 A N 0.481 123.080 122.820 -0.368 0.000 1.897 119 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 119 A C 2.125 179.598 177.584 -0.185 0.000 1.181 119 A CA 1.367 53.191 52.037 -0.356 0.000 0.620 119 A CB -0.467 18.145 19.000 -0.646 0.000 0.821 119 A HN 0.152 nan 8.150 nan 0.000 0.443 120 M N 0.056 119.561 119.600 -0.158 0.000 2.213 120 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 120 M C 1.832 178.095 176.300 -0.062 0.000 1.062 120 M CA 1.483 56.732 55.300 -0.085 0.000 1.105 120 M CB -0.390 32.174 32.600 -0.061 0.000 1.385 120 M HN 0.354 nan 8.290 nan 0.000 0.417 121 R N 0.038 120.498 120.500 -0.066 0.000 2.307 121 R HA 0.153 4.493 4.340 -0.000 0.000 0.199 121 R C 1.137 177.414 176.300 -0.039 0.000 1.000 121 R CA 0.394 56.467 56.100 -0.044 0.000 1.023 121 R CB -0.519 29.759 30.300 -0.037 0.000 0.908 121 R HN 0.481 nan 8.270 nan 0.000 0.473 122 G N 1.176 109.947 108.800 -0.049 0.000 2.588 122 G HA2 0.123 4.083 3.960 -0.000 0.000 0.281 122 G HA3 0.123 4.083 3.960 -0.000 0.000 0.281 122 G C -1.553 173.332 174.900 -0.026 0.000 1.236 122 G CA -1.031 44.048 45.100 -0.036 0.000 0.969 122 G HN -0.072 nan 8.290 nan 0.000 0.504 123 P HA -0.034 nan 4.420 nan 0.000 0.225 123 P C 1.300 178.594 177.300 -0.010 0.000 1.148 123 P CA 0.823 63.916 63.100 -0.011 0.000 0.779 123 P CB 0.284 31.980 31.700 -0.006 0.000 0.780 124 R N -1.071 119.422 120.500 -0.012 0.000 2.290 124 R HA 0.212 4.552 4.340 -0.000 0.000 0.197 124 R C 1.692 177.986 176.300 -0.011 0.000 0.913 124 R CA 0.533 56.629 56.100 -0.007 0.000 1.040 124 R CB -0.355 29.945 30.300 0.001 0.000 0.992 124 R HN 0.148 nan 8.270 nan 0.000 0.500 125 G N 2.050 110.836 108.800 -0.022 0.000 2.660 125 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.321 125 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.321 125 G C 0.840 175.728 174.900 -0.020 0.000 1.246 125 G CA 0.594 45.680 45.100 -0.024 0.000 1.000 125 G HN 0.220 nan 8.290 nan 0.000 0.550 126 L N 0.717 121.934 121.223 -0.010 0.000 2.079 126 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 126 L C 3.037 179.913 176.870 0.010 0.000 1.081 126 L CA 2.162 57.001 54.840 -0.001 0.000 0.752 126 L CB -0.491 41.568 42.059 -0.001 0.000 0.896 126 L HN 0.519 nan 8.230 nan 0.000 0.433 127 K N 0.058 120.464 120.400 0.011 0.000 2.147 127 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 127 K C 2.230 178.855 176.600 0.042 0.000 1.049 127 K CA 1.279 57.580 56.287 0.023 0.000 0.936 127 K CB -0.229 32.282 32.500 0.018 0.000 0.722 127 K HN 0.292 nan 8.250 nan 0.000 0.446 128 A N 1.190 124.025 122.820 0.025 0.000 1.930 128 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 128 A C 2.378 179.997 177.584 0.058 0.000 1.175 128 A CA 1.100 53.155 52.037 0.030 0.000 0.627 128 A CB -0.496 18.485 19.000 -0.032 0.000 0.815 128 A HN 0.050 nan 8.150 nan 0.000 0.443 129 V N -0.538 119.393 119.914 0.028 0.000 2.295 129 V HA 0.159 4.279 4.120 -0.000 0.000 0.246 129 V C 1.666 177.902 176.094 0.237 0.000 1.049 129 V CA 1.180 63.535 62.300 0.092 0.000 1.024 129 V CB -1.964 29.884 31.823 0.043 0.000 0.648 129 V HN 1.262 nan 8.190 nan 0.000 0.447 130 G N 0.522 109.407 108.800 0.141 0.000 2.814 130 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.677 130 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.677 130 G C -1.699 173.226 174.900 0.041 0.000 1.429 130 G CA -0.087 45.084 45.100 0.118 0.000 0.868 130 G HN 0.341 nan 8.290 nan 0.000 0.553 131 P HA 0.243 nan 4.420 nan 0.000 0.261 131 P C 0.307 177.368 177.300 -0.398 0.000 1.352 131 P CA 0.598 63.535 63.100 -0.272 0.000 0.891 131 P CB 0.005 31.462 31.700 -0.406 0.000 1.383 132 Y N -1.391 118.914 120.300 0.008 0.000 2.467 132 Y HA 0.086 4.635 4.550 -0.000 0.000 0.250 132 Y C 2.239 178.127 175.900 -0.020 0.000 1.155 132 Y CA 0.027 58.104 58.100 -0.037 0.000 1.249 132 Y CB -0.226 38.121 38.460 -0.187 0.000 1.146 132 Y HN -0.269 nan 8.280 nan 0.000 0.524 133 V N -1.268 118.735 119.914 0.148 0.000 2.427 133 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 133 V C 2.113 178.273 176.094 0.110 0.000 1.051 133 V CA 1.454 63.845 62.300 0.153 0.000 1.048 133 V CB -0.745 31.239 31.823 0.268 0.000 0.666 133 V HN 0.214 nan 8.190 nan 0.000 0.456 134 V N 1.341 121.313 119.914 0.096 0.000 2.282 134 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 134 V C 2.829 178.966 176.094 0.072 0.000 1.057 134 V CA 2.770 65.116 62.300 0.077 0.000 1.032 134 V CB -1.376 30.482 31.823 0.058 0.000 0.645 134 V HN 0.823 nan 8.190 nan 0.000 0.447 135 T N -1.970 112.640 114.554 0.094 0.000 2.915 135 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 135 T C 1.757 176.478 174.700 0.036 0.000 1.071 135 T CA 1.267 63.416 62.100 0.082 0.000 1.132 135 T CB -0.248 68.717 68.868 0.162 0.000 0.878 135 T HN 0.476 nan 8.240 nan 0.000 0.479 136 K N 1.246 121.636 120.400 -0.016 0.000 2.076 136 K HA 0.287 4.607 4.320 -0.000 0.000 0.204 136 K C 2.675 179.281 176.600 0.011 0.000 1.051 136 K CA 1.058 57.269 56.287 -0.128 0.000 0.949 136 K CB -0.217 31.999 32.500 -0.474 0.000 0.726 136 K HN 0.424 nan 8.250 nan 0.000 0.443 137 A N 1.877 124.742 122.820 0.074 0.000 2.081 137 A HA 0.067 4.387 4.320 -0.000 0.000 0.214 137 A C 1.261 178.894 177.584 0.082 0.000 1.158 137 A CA -0.039 52.069 52.037 0.117 0.000 0.724 137 A CB -0.392 18.696 19.000 0.147 0.000 0.826 137 A HN 0.322 nan 8.150 nan 0.000 0.463 138 M N -1.943 117.695 119.600 0.064 0.000 2.240 138 M HA 0.563 5.043 4.480 -0.000 0.000 0.333 138 M C 0.925 177.258 176.300 0.056 0.000 1.110 138 M CA 0.352 55.685 55.300 0.055 0.000 1.173 138 M CB 0.738 33.365 32.600 0.046 0.000 1.458 138 M HN 0.015 nan 8.290 nan 0.000 0.458 139 A N 1.659 124.511 122.820 0.054 0.000 2.015 139 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 139 A C 2.032 179.656 177.584 0.066 0.000 1.163 139 A CA 1.786 53.859 52.037 0.060 0.000 0.646 139 A CB -0.965 18.069 19.000 0.056 0.000 0.806 139 A HN 1.005 nan 8.150 nan 0.000 0.448 140 S N -0.662 115.075 115.700 0.062 0.000 2.671 140 S HA 0.252 4.722 4.470 -0.000 0.000 0.220 140 S C 1.637 176.273 174.600 0.061 0.000 0.951 140 S CA 0.579 58.821 58.200 0.070 0.000 0.932 140 S CB -0.438 62.803 63.200 0.069 0.000 0.777 140 S HN 0.565 nan 8.310 nan 0.000 0.508 141 G N 1.990 110.823 108.800 0.054 0.000 2.469 141 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 141 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 141 G C 1.289 176.220 174.900 0.051 0.000 1.150 141 G CA 1.134 46.261 45.100 0.044 0.000 0.763 141 G HN 0.498 nan 8.290 nan 0.000 0.561 142 V N 1.725 121.677 119.914 0.063 0.000 2.407 142 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 142 V C 3.225 179.368 176.094 0.081 0.000 1.055 142 V CA 2.329 64.673 62.300 0.075 0.000 1.049 142 V CB -0.279 31.591 31.823 0.078 0.000 0.662 142 V HN 0.627 nan 8.190 nan 0.000 0.455 143 S N 0.884 116.628 115.700 0.074 0.000 2.362 143 S HA -0.029 4.440 4.470 -0.000 0.000 0.221 143 S C 2.167 176.807 174.600 0.067 0.000 1.032 143 S CA 1.008 59.249 58.200 0.068 0.000 0.973 143 S CB -0.518 62.722 63.200 0.067 0.000 0.849 143 S HN 0.517 nan 8.310 nan 0.000 0.465 144 A N 0.949 123.800 122.820 0.052 0.000 1.908 144 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 144 A C 2.397 179.989 177.584 0.013 0.000 1.181 144 A CA 1.613 53.664 52.037 0.023 0.000 0.627 144 A CB -1.531 17.469 19.000 -0.000 0.000 0.818 144 A HN 0.693 nan 8.150 nan 0.000 0.445 145 C N -1.318 118.003 119.300 0.035 0.000 2.456 145 C HA 0.120 4.580 4.460 -0.000 0.000 0.279 145 C C 2.289 177.355 174.990 0.126 0.000 1.427 145 C CA 0.745 59.789 59.018 0.044 0.000 1.778 145 C CB -1.218 26.552 27.740 0.051 0.000 1.842 145 C HN 0.535 nan 8.230 nan 0.000 0.531 146 L N 0.278 121.614 121.223 0.187 0.000 2.388 146 L HA 0.256 4.596 4.340 -0.000 0.000 0.209 146 L C 2.597 179.651 176.870 0.308 0.000 1.061 146 L CA 1.453 56.501 54.840 0.346 0.000 0.834 146 L CB -1.040 41.200 42.059 0.302 0.000 1.029 146 L HN 0.169 nan 8.230 nan 0.000 0.473 147 A N -1.062 121.861 122.820 0.171 0.000 1.930 147 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 147 A C 2.314 179.981 177.584 0.139 0.000 1.175 147 A CA 2.283 54.412 52.037 0.152 0.000 0.627 147 A CB -0.851 18.206 19.000 0.095 0.000 0.815 147 A HN 0.375 nan 8.150 nan 0.000 0.443 148 T N 0.410 115.010 114.554 0.077 0.000 2.668 148 T HA -0.064 4.286 4.350 -0.000 0.000 0.262 148 T C -0.126 174.593 174.700 0.032 0.000 1.045 148 T CA 1.702 63.822 62.100 0.033 0.000 1.152 148 T CB -0.959 67.879 68.868 -0.050 0.000 0.864 148 T HN 0.476 nan 8.240 nan 0.000 0.419 149 P HA 0.000 nan 4.420 nan 0.000 0.219 149 P C 0.829 178.037 177.300 -0.153 0.000 1.150 149 P CA 1.064 64.109 63.100 -0.092 0.000 0.814 149 P CB -0.263 31.364 31.700 -0.122 0.000 0.787 150 F N 0.359 120.363 119.950 0.091 0.000 2.811 150 F HA 0.181 4.707 4.527 -0.000 0.000 0.301 150 F C 1.057 176.910 175.800 0.088 0.000 1.151 150 F CA 0.194 58.245 58.000 0.085 0.000 1.412 150 F CB -0.694 38.288 39.000 -0.029 0.000 1.113 150 F HN -0.152 nan 8.300 nan 0.000 0.579 151 K N 0.564 121.066 120.400 0.169 0.000 3.096 151 K HA -0.184 4.135 4.320 -0.000 0.000 0.266 151 K C -0.479 176.176 176.600 0.092 0.000 1.043 151 K CA -0.004 56.331 56.287 0.081 0.000 0.758 151 K CB -1.687 30.791 32.500 -0.035 0.000 1.260 151 K HN 0.105 nan 8.250 nan 0.000 0.481 152 I N 0.989 121.676 120.570 0.196 0.000 2.496 152 I HA 0.010 4.180 4.170 -0.000 0.000 0.285 152 I C 1.774 178.071 176.117 0.300 0.000 1.080 152 I CA 0.518 61.947 61.300 0.214 0.000 1.404 152 I CB 0.638 38.756 38.000 0.196 0.000 1.403 152 I HN 0.271 nan 8.210 nan 0.000 0.539 153 H N 3.137 122.253 119.070 0.077 0.000 2.874 153 H HA 0.172 4.728 4.556 -0.000 0.000 0.264 153 H C 1.344 176.693 175.328 0.035 0.000 1.007 153 H CA 0.048 56.124 56.048 0.046 0.000 1.207 153 H CB 1.423 31.208 29.762 0.038 0.000 1.487 153 H HN 0.771 nan 8.280 nan 0.000 0.505 154 G N 1.100 109.991 108.800 0.152 0.000 2.783 154 G HA2 0.206 4.166 3.960 -0.000 0.000 0.182 154 G HA3 0.206 4.166 3.960 -0.000 0.000 0.182 154 G C 0.169 175.086 174.900 0.029 0.000 1.516 154 G CA 0.110 45.252 45.100 0.070 0.000 1.079 154 G HN 0.124 nan 8.290 nan 0.000 0.573 155 V N -0.660 119.240 119.914 -0.023 0.000 2.872 155 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 155 V C -0.264 175.737 176.094 -0.155 0.000 1.072 155 V CA -0.220 62.019 62.300 -0.102 0.000 1.148 155 V CB 1.139 32.830 31.823 -0.220 0.000 0.954 155 V HN 0.765 nan 8.190 nan 0.000 0.490 156 N N 3.466 122.063 118.700 -0.171 0.000 2.629 156 N HA 0.503 5.243 4.740 -0.000 0.000 0.277 156 N C -1.275 174.221 175.510 -0.024 0.000 1.188 156 N CA -0.577 52.411 53.050 -0.104 0.000 0.835 156 N CB 1.208 39.704 38.487 0.015 0.000 1.420 156 N HN 1.012 nan 8.380 nan 0.000 0.542 157 Y N -0.933 119.391 120.300 0.040 0.000 2.741 157 Y HA 0.655 5.205 4.550 -0.000 0.000 0.339 157 Y C -1.334 174.588 175.900 0.037 0.000 1.226 157 Y CA -1.226 56.894 58.100 0.033 0.000 1.072 157 Y CB 0.417 38.893 38.460 0.026 0.000 1.331 157 Y HN 0.116 nan 8.280 nan 0.000 0.453 158 S N 1.793 117.681 115.700 0.315 0.000 2.433 158 S HA 0.657 5.126 4.470 -0.000 0.000 0.310 158 S C -0.517 174.213 174.600 0.218 0.000 1.097 158 S CA -0.606 57.720 58.200 0.211 0.000 1.103 158 S CB 0.345 63.626 63.200 0.134 0.000 0.992 158 S HN 0.527 nan 8.310 nan 0.000 0.469 159 I N 2.686 123.382 120.570 0.210 0.000 2.440 159 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 159 I C 0.155 176.348 176.117 0.126 0.000 0.995 159 I CA -0.048 61.341 61.300 0.149 0.000 1.306 159 I CB 1.424 39.525 38.000 0.168 0.000 1.407 159 I HN 0.485 nan 8.210 nan 0.000 0.501 160 S N 2.789 118.549 115.700 0.100 0.000 2.536 160 S HA 0.569 5.039 4.470 -0.000 0.000 0.287 160 S C -0.335 174.337 174.600 0.120 0.000 1.101 160 S CA -0.685 57.584 58.200 0.115 0.000 0.950 160 S CB 1.838 65.099 63.200 0.101 0.000 1.056 160 S HN 0.710 nan 8.310 nan 0.000 0.481 161 S N -0.024 115.778 115.700 0.170 0.000 2.665 161 S HA 0.618 5.088 4.470 -0.000 0.000 0.226 161 S C 0.449 175.187 174.600 0.229 0.000 0.773 161 S CA -0.104 58.217 58.200 0.201 0.000 1.041 161 S CB -0.458 62.926 63.200 0.308 0.000 1.570 161 S HN 1.791 nan 8.310 nan 0.000 0.470 162 A N 0.891 123.845 122.820 0.224 0.000 5.391 162 A HA -0.359 3.961 4.320 -0.000 0.000 0.315 162 A C 1.732 179.465 177.584 0.247 0.000 1.874 162 A CA 1.428 53.635 52.037 0.284 0.000 0.714 162 A CB -2.277 16.974 19.000 0.417 0.000 1.335 162 A HN 1.547 nan 8.150 nan 0.000 0.382 163 C N 0.191 119.652 119.300 0.270 0.000 2.449 163 C HA 0.343 4.803 4.460 -0.000 0.000 0.283 163 C C 2.768 177.842 174.990 0.139 0.000 1.453 163 C CA 1.203 60.375 59.018 0.258 0.000 1.779 163 C CB -1.918 26.022 27.740 0.332 0.000 1.779 163 C HN 1.428 nan 8.230 nan 0.000 0.546 164 A N 0.264 123.154 122.820 0.118 0.000 2.308 164 A HA 0.121 4.440 4.320 -0.000 0.000 0.217 164 A C 1.942 179.579 177.584 0.088 0.000 1.216 164 A CA 0.930 52.986 52.037 0.030 0.000 0.864 164 A CB -0.653 18.359 19.000 0.019 0.000 0.902 164 A HN 0.454 nan 8.150 nan 0.000 0.499 165 T N 1.391 116.040 114.554 0.158 0.000 2.564 165 T HA -0.250 4.100 4.350 -0.000 0.000 0.264 165 T C 2.209 176.982 174.700 0.123 0.000 1.100 165 T CA 2.634 64.836 62.100 0.169 0.000 1.171 165 T CB -0.426 68.524 68.868 0.137 0.000 0.863 165 T HN 0.793 nan 8.240 nan 0.000 0.430 166 S N 1.080 116.814 115.700 0.057 0.000 2.527 166 S HA 0.354 4.824 4.470 -0.000 0.000 0.222 166 S C 2.222 176.803 174.600 -0.032 0.000 0.985 166 S CA 0.571 58.781 58.200 0.016 0.000 0.921 166 S CB -0.238 62.958 63.200 -0.005 0.000 0.772 166 S HN 0.530 nan 8.310 nan 0.000 0.529 167 A N 2.413 125.196 122.820 -0.062 0.000 1.872 167 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 167 A C 2.117 179.631 177.584 -0.118 0.000 1.187 167 A CA 1.237 53.199 52.037 -0.124 0.000 0.614 167 A CB -0.999 17.894 19.000 -0.178 0.000 0.826 167 A HN 0.598 nan 8.150 nan 0.000 0.442 168 H N -0.622 118.472 119.070 0.040 0.000 2.387 168 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 168 H C 2.397 177.708 175.328 -0.028 0.000 1.090 168 H CA 1.402 57.490 56.048 0.068 0.000 1.332 168 H CB -0.634 29.208 29.762 0.133 0.000 1.386 168 H HN 0.540 nan 8.280 nan 0.000 0.516 169 C N 0.607 119.967 119.300 0.099 0.000 2.413 169 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 169 C C 3.017 177.962 174.990 -0.075 0.000 1.236 169 C CA 0.602 59.639 59.018 0.032 0.000 1.735 169 C CB -1.123 26.633 27.740 0.028 0.000 2.031 169 C HN 0.435 nan 8.230 nan 0.000 0.474 170 I N 1.102 121.593 120.570 -0.132 0.000 2.179 170 I HA -0.134 4.036 4.170 -0.000 0.000 0.242 170 I C 2.733 178.647 176.117 -0.340 0.000 1.088 170 I CA 1.888 63.070 61.300 -0.197 0.000 1.357 170 I CB -0.931 36.959 38.000 -0.182 0.000 1.051 170 I HN 0.458 nan 8.210 nan 0.000 0.409 171 G N 0.254 108.681 108.800 -0.622 0.000 2.422 171 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 171 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 171 G C 1.440 175.943 174.900 -0.660 0.000 1.146 171 G CA 0.858 45.120 45.100 -1.396 0.000 0.769 171 G HN 0.432 nan 8.290 nan 0.000 0.547 172 N N 0.804 119.342 118.700 -0.270 0.000 2.244 172 N HA -0.051 4.689 4.740 -0.000 0.000 0.183 172 N C 2.502 177.988 175.510 -0.041 0.000 1.016 172 N CA 0.890 53.930 53.050 -0.016 0.000 0.866 172 N CB -0.087 38.469 38.487 0.114 0.000 0.980 172 N HN 0.266 nan 8.380 nan 0.000 0.430 173 A N 0.668 123.424 122.820 -0.107 0.000 1.898 173 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 173 A C 2.369 179.890 177.584 -0.104 0.000 1.181 173 A CA 0.957 52.928 52.037 -0.110 0.000 0.620 173 A CB -0.670 18.248 19.000 -0.136 0.000 0.819 173 A HN 0.176 nan 8.150 nan 0.000 0.442 174 V N 0.204 120.041 119.914 -0.128 0.000 2.343 174 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 174 V C 2.388 178.467 176.094 -0.024 0.000 1.051 174 V CA 2.351 64.601 62.300 -0.084 0.000 1.036 174 V CB -0.842 30.924 31.823 -0.095 0.000 0.654 174 V HN 0.649 nan 8.190 nan 0.000 0.451 175 E N -0.588 119.614 120.200 0.004 0.000 2.110 175 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 175 E C 2.392 179.010 176.600 0.029 0.000 0.988 175 E CA 1.042 57.475 56.400 0.055 0.000 0.804 175 E CB -0.132 29.632 29.700 0.106 0.000 0.745 175 E HN 0.555 nan 8.360 nan 0.000 0.458 176 Q N 0.273 120.077 119.800 0.007 0.000 2.124 176 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 176 Q C 2.266 178.254 176.000 -0.021 0.000 0.977 176 Q CA 1.052 56.852 55.803 -0.004 0.000 0.850 176 Q CB -0.190 28.531 28.738 -0.029 0.000 0.901 176 Q HN 0.394 nan 8.270 nan 0.000 0.429 177 I N 0.785 121.332 120.570 -0.038 0.000 2.202 177 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 177 I C 2.427 178.534 176.117 -0.016 0.000 1.091 177 I CA 1.133 62.408 61.300 -0.042 0.000 1.368 177 I CB -0.132 37.833 38.000 -0.059 0.000 1.058 177 I HN 0.229 nan 8.210 nan 0.000 0.410 178 Q N 0.217 120.017 119.800 -0.001 0.000 2.124 178 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 178 Q C 2.166 178.174 176.000 0.014 0.000 0.977 178 Q CA 1.280 57.090 55.803 0.013 0.000 0.850 178 Q CB -0.126 28.631 28.738 0.030 0.000 0.901 178 Q HN 0.517 nan 8.270 nan 0.000 0.429 179 L N -0.625 120.608 121.223 0.016 0.000 2.551 179 L HA 0.030 4.370 4.340 -0.000 0.000 0.228 179 L C 1.206 178.082 176.870 0.010 0.000 1.153 179 L CA 0.495 55.345 54.840 0.017 0.000 0.851 179 L CB -0.260 41.813 42.059 0.023 0.000 0.959 179 L HN 0.451 nan 8.230 nan 0.000 0.451 180 G N -0.017 108.784 108.800 0.002 0.000 2.143 180 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.248 180 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.248 180 G C 1.003 175.900 174.900 -0.005 0.000 0.991 180 G CA 0.619 45.717 45.100 -0.002 0.000 0.689 180 G HN 0.391 nan 8.290 nan 0.000 0.522 181 K N -0.912 119.484 120.400 -0.006 0.000 2.262 181 K HA 0.115 4.435 4.320 -0.000 0.000 0.200 181 K C 0.906 177.494 176.600 -0.020 0.000 1.049 181 K CA 0.779 57.063 56.287 -0.004 0.000 0.979 181 K CB 0.084 32.589 32.500 0.008 0.000 0.773 181 K HN 0.424 nan 8.250 nan 0.000 0.474 182 Q N -0.148 119.626 119.800 -0.044 0.000 2.389 182 Q HA 0.137 4.477 4.340 -0.000 0.000 0.277 182 Q C -0.571 175.355 176.000 -0.123 0.000 1.082 182 Q CA -0.346 55.410 55.803 -0.078 0.000 0.810 182 Q CB 2.017 30.703 28.738 -0.087 0.000 1.374 182 Q HN -0.049 nan 8.270 nan 0.000 0.422 183 D N 0.471 120.757 120.400 -0.190 0.000 2.216 183 D HA 0.228 4.868 4.640 -0.000 0.000 0.208 183 D C 0.297 176.373 176.300 -0.373 0.000 0.960 183 D CA 0.966 54.766 54.000 -0.333 0.000 0.861 183 D CB 1.015 41.468 40.800 -0.579 0.000 0.985 183 D HN 0.380 nan 8.370 nan 0.000 0.493 184 I N 0.438 120.809 120.570 -0.330 0.000 2.619 184 I HA 0.263 4.433 4.170 -0.000 0.000 0.292 184 I C -1.170 174.736 176.117 -0.351 0.000 1.100 184 I CA -0.793 60.280 61.300 -0.378 0.000 1.043 184 I CB 3.309 41.036 38.000 -0.456 0.000 1.239 184 I HN -0.413 nan 8.210 nan 0.000 0.420 185 V N 5.522 125.202 119.914 -0.390 0.000 2.623 185 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 185 V C -0.744 175.111 176.094 -0.399 0.000 1.054 185 V CA -0.634 61.479 62.300 -0.312 0.000 0.882 185 V CB 1.761 33.471 31.823 -0.188 0.000 1.002 185 V HN 0.365 nan 8.190 nan 0.000 0.424 186 F N 3.240 123.089 119.950 -0.168 0.000 2.438 186 F HA 0.686 5.213 4.527 -0.000 0.000 0.356 186 F C 0.725 176.426 175.800 -0.164 0.000 1.099 186 F CA -0.014 57.870 58.000 -0.194 0.000 1.185 186 F CB 1.131 39.975 39.000 -0.260 0.000 1.115 186 F HN 0.586 nan 8.300 nan 0.000 0.526 187 A N 2.386 125.201 122.820 -0.008 0.000 2.393 187 A HA 0.926 5.246 4.320 -0.000 0.000 0.306 187 A C -0.079 177.480 177.584 -0.041 0.000 1.050 187 A CA 0.099 52.111 52.037 -0.042 0.000 0.724 187 A CB 1.454 20.401 19.000 -0.088 0.000 1.248 187 A HN 1.052 nan 8.150 nan 0.000 0.424 188 G N -0.168 108.616 108.800 -0.028 0.000 2.512 188 G HA2 0.751 4.711 3.960 -0.000 0.000 0.181 188 G HA3 0.751 4.711 3.960 -0.000 0.000 0.181 188 G C -0.169 174.732 174.900 0.002 0.000 1.173 188 G CA 0.408 45.491 45.100 -0.029 0.000 0.988 188 G HN 2.312 nan 8.290 nan 0.000 0.485 189 G N -2.118 106.690 108.800 0.013 0.000 2.356 189 G HA2 0.806 4.766 3.960 -0.000 0.000 0.294 189 G HA3 0.806 4.766 3.960 -0.000 0.000 0.294 189 G C -0.578 174.362 174.900 0.066 0.000 1.423 189 G CA 0.620 45.746 45.100 0.043 0.000 0.806 189 G HN 2.036 nan 8.290 nan 0.000 0.527 190 G N -1.250 107.605 108.800 0.092 0.000 2.692 190 G HA2 0.693 4.653 3.960 -0.000 0.000 0.291 190 G HA3 0.693 4.653 3.960 -0.000 0.000 0.291 190 G C -1.922 173.061 174.900 0.139 0.000 1.423 190 G CA -0.350 44.835 45.100 0.142 0.000 0.843 190 G HN 0.716 nan 8.290 nan 0.000 0.486 191 E N -0.251 120.067 120.200 0.197 0.000 2.321 191 E HA 0.345 4.695 4.350 -0.000 0.000 0.281 191 E C -0.197 176.535 176.600 0.221 0.000 0.910 191 E CA -0.681 55.812 56.400 0.154 0.000 0.770 191 E CB 1.489 31.248 29.700 0.097 0.000 1.225 191 E HN 0.708 nan 8.360 nan 0.000 0.417 192 E N 3.183 123.470 120.200 0.144 0.000 2.371 192 E HA 0.364 4.714 4.350 -0.000 0.000 0.257 192 E C -0.787 175.881 176.600 0.112 0.000 1.134 192 E CA -0.767 55.713 56.400 0.134 0.000 0.919 192 E CB 1.114 30.846 29.700 0.053 0.000 1.025 192 E HN 0.266 nan 8.360 nan 0.000 0.438 193 L N 2.293 123.561 121.223 0.075 0.000 2.349 193 L HA 0.480 4.819 4.340 -0.000 0.000 0.278 193 L C -1.371 175.544 176.870 0.075 0.000 0.996 193 L CA -0.301 54.548 54.840 0.016 0.000 0.825 193 L CB 1.083 43.016 42.059 -0.209 0.000 1.243 193 L HN 0.932 nan 8.230 nan 0.000 0.412 194 C N 2.403 121.811 119.300 0.179 0.000 3.283 194 C HA 0.352 4.812 4.460 -0.000 0.000 0.359 194 C C 1.011 176.102 174.990 0.168 0.000 1.160 194 C CA -1.042 58.069 59.018 0.157 0.000 1.232 194 C CB 0.335 28.039 27.740 -0.060 0.000 1.571 194 C HN 1.098 nan 8.230 nan 0.000 0.522 195 W N 1.426 122.835 121.300 0.181 0.000 2.350 195 W HA -0.043 4.617 4.660 -0.000 0.000 0.289 195 W C 1.015 177.592 176.519 0.096 0.000 1.215 195 W CA 2.014 59.427 57.345 0.113 0.000 1.236 195 W CB -0.945 28.545 29.460 0.049 0.000 1.130 195 W HN 0.893 nan 8.180 nan 0.000 0.541 196 E N 0.768 120.413 120.200 -0.925 0.000 2.085 196 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 196 E C 2.357 178.797 176.600 -0.266 0.000 0.994 196 E CA 2.651 58.494 56.400 -0.928 0.000 0.801 196 E CB -0.668 28.482 29.700 -0.917 0.000 0.743 196 E HN 0.379 nan 8.360 nan 0.000 0.453 197 M N -0.571 118.970 119.600 -0.098 0.000 2.325 197 M HA 0.114 4.594 4.480 -0.000 0.000 0.265 197 M C 2.095 178.538 176.300 0.238 0.000 1.094 197 M CA 1.149 56.494 55.300 0.075 0.000 1.161 197 M CB 0.119 32.803 32.600 0.139 0.000 1.358 197 M HN 0.152 nan 8.290 nan 0.000 0.446 198 A N 0.449 123.424 122.820 0.257 0.000 1.948 198 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 198 A C 2.348 180.103 177.584 0.285 0.000 1.177 198 A CA 1.899 54.131 52.037 0.326 0.000 0.636 198 A CB -1.806 17.360 19.000 0.277 0.000 0.815 198 A HN 0.876 nan 8.150 nan 0.000 0.449 199 C N -0.351 119.093 119.300 0.239 0.000 2.422 199 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 199 C C 2.177 177.227 174.990 0.100 0.000 1.305 199 C CA 1.052 60.185 59.018 0.193 0.000 1.757 199 C CB -1.564 26.339 27.740 0.273 0.000 1.962 199 C HN 0.666 nan 8.230 nan 0.000 0.499 200 E N 0.586 120.808 120.200 0.037 0.000 2.085 200 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 200 E C 1.777 178.234 176.600 -0.239 0.000 0.994 200 E CA 1.616 57.928 56.400 -0.147 0.000 0.801 200 E CB -0.383 29.136 29.700 -0.303 0.000 0.743 200 E HN 0.787 nan 8.360 nan 0.000 0.453 201 F N 1.170 121.103 119.950 -0.027 0.000 2.206 201 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 201 F C 2.240 177.991 175.800 -0.082 0.000 1.090 201 F CA 0.984 58.946 58.000 -0.064 0.000 1.323 201 F CB -0.188 38.784 39.000 -0.047 0.000 1.028 201 F HN -0.044 nan 8.300 nan 0.000 0.492 202 D N 0.398 120.862 120.400 0.108 0.000 2.117 202 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 202 D C 2.265 178.580 176.300 0.026 0.000 0.987 202 D CA 1.299 55.325 54.000 0.043 0.000 0.829 202 D CB -0.237 40.596 40.800 0.054 0.000 0.961 202 D HN 0.175 nan 8.370 nan 0.000 0.460 203 A N 0.674 123.503 122.820 0.016 0.000 2.019 203 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 203 A C 2.193 179.771 177.584 -0.010 0.000 1.164 203 A CA 1.714 53.750 52.037 -0.002 0.000 0.644 203 A CB -0.741 18.250 19.000 -0.015 0.000 0.805 203 A HN 0.508 nan 8.150 nan 0.000 0.449 204 M N -2.844 116.745 119.600 -0.019 0.000 2.494 204 M HA 0.453 4.933 4.480 -0.000 0.000 0.232 204 M C 1.054 177.384 176.300 0.050 0.000 1.137 204 M CA 0.661 55.962 55.300 0.002 0.000 1.012 204 M CB -0.032 32.546 32.600 -0.036 0.000 1.567 204 M HN 0.552 nan 8.290 nan 0.000 0.486 205 G N 0.736 109.561 108.800 0.042 0.000 2.160 205 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.251 205 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.251 205 G C 0.778 175.719 174.900 0.068 0.000 1.008 205 G CA 0.344 45.473 45.100 0.048 0.000 0.724 205 G HN 0.754 nan 8.290 nan 0.000 0.514 206 A N -0.930 121.934 122.820 0.073 0.000 2.081 206 A HA 0.630 4.950 4.320 -0.000 0.000 0.214 206 A C 1.267 178.735 177.584 -0.194 0.000 1.158 206 A CA 0.771 52.865 52.037 0.094 0.000 0.724 206 A CB 0.125 19.319 19.000 0.322 0.000 0.826 206 A HN 0.661 nan 8.150 nan 0.000 0.463 207 L N 0.137 121.215 121.223 -0.242 0.000 2.343 207 L HA 0.339 4.678 4.340 -0.000 0.000 0.275 207 L C 0.703 177.509 176.870 -0.105 0.000 1.056 207 L CA -0.576 54.072 54.840 -0.320 0.000 0.804 207 L CB 1.571 43.474 42.059 -0.260 0.000 1.203 207 L HN 0.170 nan 8.230 nan 0.000 0.440 208 S N 0.395 116.067 115.700 -0.047 0.000 2.549 208 S HA 0.085 4.555 4.470 -0.000 0.000 0.286 208 S C 0.848 175.459 174.600 0.018 0.000 1.314 208 S CA 0.209 58.441 58.200 0.053 0.000 1.062 208 S CB 0.431 63.706 63.200 0.125 0.000 0.865 208 S HN 0.834 nan 8.310 nan 0.000 0.498 209 T N 1.504 116.064 114.554 0.009 0.000 2.986 209 T HA 0.340 4.690 4.350 -0.000 0.000 0.264 209 T C 0.939 175.567 174.700 -0.119 0.000 0.964 209 T CA -0.417 61.635 62.100 -0.081 0.000 0.895 209 T CB -0.061 68.754 68.868 -0.088 0.000 1.163 209 T HN 0.602 nan 8.240 nan 0.000 0.517 210 K N 0.097 120.415 120.400 -0.136 0.000 2.374 210 K HA 0.242 4.562 4.320 -0.000 0.000 0.196 210 K C -0.185 176.091 176.600 -0.540 0.000 1.023 210 K CA 0.278 56.346 56.287 -0.365 0.000 1.103 210 K CB 0.233 32.431 32.500 -0.503 0.000 0.848 210 K HN 0.430 nan 8.250 nan 0.000 0.528 211 Y N -0.065 120.229 120.300 -0.011 0.000 2.706 211 Y HA 0.187 4.737 4.550 -0.000 0.000 0.255 211 Y C 0.930 176.847 175.900 0.028 0.000 1.163 211 Y CA -0.603 57.503 58.100 0.010 0.000 1.174 211 Y CB 0.132 38.606 38.460 0.023 0.000 1.200 211 Y HN 0.003 nan 8.280 nan 0.000 0.544 212 N N 0.816 119.577 118.700 0.102 0.000 2.289 212 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 212 N C 1.545 177.162 175.510 0.179 0.000 1.016 212 N CA 1.612 54.756 53.050 0.158 0.000 0.872 212 N CB -0.136 38.416 38.487 0.109 0.000 0.973 212 N HN 0.574 nan 8.380 nan 0.000 0.433 213 D N 0.533 120.992 120.400 0.099 0.000 2.317 213 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 213 D C 0.037 176.376 176.300 0.064 0.000 0.966 213 D CA 0.737 54.765 54.000 0.047 0.000 0.876 213 D CB -0.110 40.698 40.800 0.014 0.000 0.927 213 D HN 0.186 nan 8.370 nan 0.000 0.519 214 T N -2.293 112.332 114.554 0.119 0.000 3.418 214 T HA 0.407 4.757 4.350 -0.000 0.000 0.315 214 T C -2.329 172.450 174.700 0.132 0.000 1.447 214 T CA -1.435 60.734 62.100 0.114 0.000 1.641 214 T CB 1.504 70.445 68.868 0.122 0.000 0.904 214 T HN -0.286 nan 8.240 nan 0.000 0.640 215 P HA -0.127 nan 4.420 nan 0.000 0.216 215 P C 1.341 178.702 177.300 0.102 0.000 1.150 215 P CA 1.225 64.416 63.100 0.152 0.000 0.843 215 P CB 0.148 31.961 31.700 0.189 0.000 0.787 216 E N -0.628 119.617 120.200 0.075 0.000 2.418 216 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 216 E C 1.275 177.874 176.600 -0.001 0.000 1.026 216 E CA 0.667 57.091 56.400 0.040 0.000 0.862 216 E CB -0.187 29.534 29.700 0.034 0.000 0.799 216 E HN 0.410 nan 8.360 nan 0.000 0.518 217 K N -0.210 120.179 120.400 -0.019 0.000 2.358 217 K HA 0.212 4.532 4.320 -0.000 0.000 0.197 217 K C 1.671 178.091 176.600 -0.299 0.000 1.025 217 K CA 0.249 56.465 56.287 -0.119 0.000 1.104 217 K CB 0.781 33.230 32.500 -0.085 0.000 0.855 217 K HN -0.024 nan 8.250 nan 0.000 0.531 218 A N 1.355 124.078 122.820 -0.163 0.000 1.897 218 A HA -0.027 4.293 4.320 -0.000 0.000 0.215 218 A C 1.386 178.868 177.584 -0.170 0.000 1.181 218 A CA 0.839 52.764 52.037 -0.187 0.000 0.620 218 A CB 0.030 19.082 19.000 0.088 0.000 0.821 218 A HN 0.147 nan 8.150 nan 0.000 0.443 219 S N 0.580 116.233 115.700 -0.079 0.000 2.439 219 S HA 0.451 4.921 4.470 -0.000 0.000 0.282 219 S C 0.288 174.831 174.600 -0.095 0.000 1.170 219 S CA -0.621 57.549 58.200 -0.049 0.000 1.054 219 S CB -0.055 63.147 63.200 0.004 0.000 0.956 219 S HN 0.507 nan 8.310 nan 0.000 0.490 220 R N 2.583 123.020 120.500 -0.105 0.000 2.533 220 R HA 0.166 4.506 4.340 -0.000 0.000 0.268 220 R C -0.795 175.444 176.300 -0.102 0.000 1.303 220 R CA -0.624 55.412 56.100 -0.107 0.000 1.429 220 R CB -1.076 29.133 30.300 -0.151 0.000 1.361 220 R HN 0.451 nan 8.270 nan 0.000 0.745 221 T N 1.911 116.359 114.554 -0.175 0.000 2.891 221 T HA -0.054 4.295 4.350 -0.000 0.000 0.296 221 T C -0.013 174.495 174.700 -0.320 0.000 1.025 221 T CA 1.055 62.929 62.100 -0.375 0.000 1.149 221 T CB -0.076 68.445 68.868 -0.578 0.000 1.007 221 T HN 0.517 nan 8.240 nan 0.000 0.528 222 Y N -1.355 118.949 120.300 0.008 0.000 4.766 222 Y HA -0.210 4.340 4.550 -0.000 0.000 0.289 222 Y C 0.707 176.614 175.900 0.012 0.000 0.965 222 Y CA 0.484 58.590 58.100 0.010 0.000 1.738 222 Y CB -2.205 36.259 38.460 0.006 0.000 1.062 222 Y HN 0.770 nan 8.280 nan 0.000 0.440 223 D N 0.565 121.028 120.400 0.105 0.000 2.382 223 D HA 0.556 5.196 4.640 -0.000 0.000 0.245 223 D C 1.267 177.606 176.300 0.065 0.000 1.120 223 D CA 0.795 54.849 54.000 0.090 0.000 0.890 223 D CB 1.287 42.129 40.800 0.070 0.000 1.201 223 D HN 0.275 nan 8.370 nan 0.000 0.433 224 A N 3.011 125.849 122.820 0.031 0.000 2.070 224 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 224 A C 1.068 178.474 177.584 -0.297 0.000 1.159 224 A CA 1.285 53.239 52.037 -0.139 0.000 0.656 224 A CB -0.500 18.366 19.000 -0.222 0.000 0.800 224 A HN 0.770 nan 8.150 nan 0.000 0.453 225 H N -0.446 118.681 119.070 0.096 0.000 2.528 225 H HA 0.180 4.736 4.556 -0.000 0.000 0.282 225 H C 0.504 175.942 175.328 0.183 0.000 1.097 225 H CA -0.341 55.793 56.048 0.142 0.000 1.121 225 H CB 0.055 29.926 29.762 0.182 0.000 1.590 225 H HN 0.574 nan 8.280 nan 0.000 0.553 226 R N 1.648 122.246 120.500 0.163 0.000 2.697 226 R HA -0.023 4.317 4.340 -0.000 0.000 0.265 226 R C -0.468 175.938 176.300 0.176 0.000 1.009 226 R CA 0.743 56.919 56.100 0.126 0.000 1.099 226 R CB 0.398 30.730 30.300 0.053 0.000 0.965 226 R HN 0.287 nan 8.270 nan 0.000 0.428 227 D N 0.489 121.008 120.400 0.197 0.000 2.712 227 D HA 0.219 4.859 4.640 -0.000 0.000 0.300 227 D C 0.137 176.514 176.300 0.129 0.000 1.521 227 D CA 0.110 54.213 54.000 0.172 0.000 0.790 227 D CB 0.407 41.326 40.800 0.198 0.000 1.155 227 D HN 0.914 nan 8.370 nan 0.000 0.456 228 G N 0.489 109.365 108.800 0.126 0.000 2.392 228 G HA2 0.218 4.177 3.960 -0.000 0.000 0.677 228 G HA3 0.218 4.177 3.960 -0.000 0.000 0.677 228 G C -0.565 174.423 174.900 0.147 0.000 1.334 228 G CA -0.683 44.490 45.100 0.122 0.000 0.961 228 G HN 0.337 nan 8.290 nan 0.000 0.616 229 F N -0.416 119.600 119.950 0.110 0.000 2.378 229 F HA 0.776 5.303 4.527 -0.000 0.000 0.319 229 F C 0.296 176.150 175.800 0.091 0.000 1.155 229 F CA -1.313 56.741 58.000 0.090 0.000 1.157 229 F CB 1.135 40.214 39.000 0.131 0.000 1.252 229 F HN 0.397 nan 8.300 nan 0.000 0.550 230 V N 4.739 124.865 119.914 0.354 0.000 2.370 230 V HA 0.270 4.390 4.120 -0.000 0.000 0.283 230 V C 0.257 176.577 176.094 0.377 0.000 1.023 230 V CA -0.876 61.568 62.300 0.240 0.000 0.857 230 V CB 1.095 33.025 31.823 0.178 0.000 0.985 230 V HN 0.873 nan 8.190 nan 0.000 0.443 231 I N 4.463 125.206 120.570 0.289 0.000 2.696 231 I HA 0.553 4.723 4.170 -0.000 0.000 0.284 231 I C 0.489 176.735 176.117 0.215 0.000 1.129 231 I CA 0.444 61.922 61.300 0.297 0.000 1.410 231 I CB 0.984 39.095 38.000 0.185 0.000 1.399 231 I HN 0.804 nan 8.210 nan 0.000 0.579 232 A N 4.698 127.589 122.820 0.120 0.000 2.569 232 A HA 0.881 5.201 4.320 -0.000 0.000 0.290 232 A C -0.626 176.947 177.584 -0.017 0.000 1.136 232 A CA -0.160 51.900 52.037 0.038 0.000 0.710 232 A CB 1.349 20.376 19.000 0.045 0.000 1.303 232 A HN 0.823 nan 8.150 nan 0.000 0.413 233 G N -1.829 106.916 108.800 -0.091 0.000 2.730 233 G HA2 0.908 4.867 3.960 -0.000 0.000 0.289 233 G HA3 0.908 4.867 3.960 -0.000 0.000 0.289 233 G C -0.077 174.703 174.900 -0.201 0.000 1.341 233 G CA -0.229 44.834 45.100 -0.061 0.000 0.932 233 G HN 2.225 nan 8.290 nan 0.000 0.481 234 G N -2.065 106.608 108.800 -0.212 0.000 2.339 234 G HA2 0.626 4.586 3.960 -0.000 0.000 0.275 234 G HA3 0.626 4.586 3.960 -0.000 0.000 0.275 234 G C -0.412 174.453 174.900 -0.059 0.000 1.323 234 G CA 0.252 45.086 45.100 -0.443 0.000 0.927 234 G HN 1.918 nan 8.290 nan 0.000 0.486 235 G N -1.887 106.879 108.800 -0.057 0.000 2.684 235 G HA2 1.010 4.970 3.960 -0.000 0.000 0.290 235 G HA3 1.010 4.970 3.960 -0.000 0.000 0.290 235 G C -0.385 174.508 174.900 -0.013 0.000 1.425 235 G CA 0.327 45.459 45.100 0.054 0.000 0.822 235 G HN 2.079 nan 8.290 nan 0.000 0.482 236 G N -1.299 107.492 108.800 -0.015 0.000 2.673 236 G HA2 0.670 4.630 3.960 -0.000 0.000 0.292 236 G HA3 0.670 4.630 3.960 -0.000 0.000 0.292 236 G C -1.763 173.103 174.900 -0.058 0.000 1.450 236 G CA -0.609 44.455 45.100 -0.060 0.000 0.837 236 G HN 0.935 nan 8.290 nan 0.000 0.505 237 M N 0.780 120.333 119.600 -0.077 0.000 2.413 237 M HA 0.665 5.145 4.480 -0.000 0.000 0.287 237 M C -0.961 175.291 176.300 -0.080 0.000 1.186 237 M CA -0.742 54.515 55.300 -0.070 0.000 0.927 237 M CB 2.281 34.830 32.600 -0.086 0.000 1.715 237 M HN 1.216 nan 8.290 nan 0.000 0.478 238 V N 1.588 121.458 119.914 -0.073 0.000 2.914 238 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 238 V C -1.162 174.882 176.094 -0.082 0.000 1.084 238 V CA -0.920 61.323 62.300 -0.095 0.000 0.963 238 V CB 1.861 33.603 31.823 -0.136 0.000 1.025 238 V HN 0.603 nan 8.190 nan 0.000 0.432 239 V N 3.693 123.543 119.914 -0.107 0.000 2.334 239 V HA 0.352 4.471 4.120 -0.000 0.000 0.267 239 V C 0.169 176.133 176.094 -0.218 0.000 1.040 239 V CA -0.347 61.808 62.300 -0.241 0.000 0.866 239 V CB 1.026 32.726 31.823 -0.206 0.000 1.019 239 V HN 0.729 nan 8.190 nan 0.000 0.468 240 V N 5.171 124.928 119.914 -0.262 0.000 2.406 240 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 240 V C 0.094 176.058 176.094 -0.217 0.000 1.043 240 V CA -0.248 61.935 62.300 -0.195 0.000 0.915 240 V CB 1.326 33.044 31.823 -0.175 0.000 0.988 240 V HN 0.972 nan 8.190 nan 0.000 0.466 241 E N 2.951 123.060 120.200 -0.151 0.000 2.314 241 E HA 0.311 4.661 4.350 -0.000 0.000 0.272 241 E C -0.705 175.845 176.600 -0.083 0.000 0.884 241 E CA -0.722 55.594 56.400 -0.140 0.000 0.753 241 E CB 1.737 31.380 29.700 -0.096 0.000 1.213 241 E HN 0.697 nan 8.360 nan 0.000 0.432 242 E N 3.771 123.920 120.200 -0.084 0.000 2.414 242 E HA -0.050 4.299 4.350 -0.000 0.000 0.263 242 E C 0.777 177.388 176.600 0.018 0.000 1.000 242 E CA -0.065 56.316 56.400 -0.031 0.000 0.914 242 E CB 1.038 30.719 29.700 -0.033 0.000 0.948 242 E HN 0.628 nan 8.360 nan 0.000 0.444 243 L N 5.671 126.899 121.223 0.008 0.000 1.989 243 L HA -0.214 4.125 4.340 -0.000 0.000 0.211 243 L C 1.880 178.764 176.870 0.024 0.000 1.071 243 L CA 1.924 56.769 54.840 0.009 0.000 0.749 243 L CB -0.394 41.665 42.059 -0.001 0.000 0.890 243 L HN 0.534 nan 8.230 nan 0.000 0.431 244 E N -0.999 119.221 120.200 0.033 0.000 2.077 244 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 244 E C 2.219 178.844 176.600 0.042 0.000 0.989 244 E CA 1.359 57.777 56.400 0.029 0.000 0.800 244 E CB -0.730 28.985 29.700 0.026 0.000 0.746 244 E HN 0.684 nan 8.360 nan 0.000 0.452 245 H N 0.665 119.721 119.070 -0.023 0.000 2.353 245 H HA -0.036 4.520 4.556 -0.000 0.000 0.300 245 H C 1.849 177.162 175.328 -0.025 0.000 1.090 245 H CA 1.700 57.735 56.048 -0.023 0.000 1.327 245 H CB 0.214 29.959 29.762 -0.028 0.000 1.383 245 H HN 0.129 nan 8.280 nan 0.000 0.508 246 A N 1.159 124.041 122.820 0.103 0.000 1.877 246 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 246 A C 2.867 180.437 177.584 -0.023 0.000 1.186 246 A CA 1.264 53.323 52.037 0.037 0.000 0.620 246 A CB -0.918 18.095 19.000 0.022 0.000 0.822 246 A HN 0.408 nan 8.150 nan 0.000 0.443 247 L N -0.708 120.502 121.223 -0.023 0.000 2.083 247 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 247 L C 3.034 179.874 176.870 -0.050 0.000 1.083 247 L CA 1.030 55.850 54.840 -0.033 0.000 0.752 247 L CB -0.510 41.534 42.059 -0.024 0.000 0.899 247 L HN 0.444 nan 8.230 nan 0.000 0.433 248 A N 0.914 123.690 122.820 -0.074 0.000 1.969 248 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 248 A C 2.242 179.763 177.584 -0.105 0.000 1.169 248 A CA 1.524 53.505 52.037 -0.093 0.000 0.635 248 A CB -0.477 18.449 19.000 -0.123 0.000 0.810 248 A HN 0.573 nan 8.150 nan 0.000 0.445 249 R N -1.197 119.228 120.500 -0.126 0.000 2.359 249 R HA 0.344 4.684 4.340 -0.000 0.000 0.231 249 R C 0.958 177.231 176.300 -0.045 0.000 0.913 249 R CA 0.652 56.695 56.100 -0.095 0.000 1.075 249 R CB -0.598 29.631 30.300 -0.120 0.000 1.087 249 R HN 0.698 nan 8.270 nan 0.000 0.515 250 G N 0.715 109.492 108.800 -0.038 0.000 2.198 250 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 250 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 250 G C 0.326 175.222 174.900 -0.006 0.000 1.042 250 G CA 0.105 45.193 45.100 -0.020 0.000 0.791 250 G HN 0.721 nan 8.290 nan 0.000 0.502 251 A N 0.174 122.988 122.820 -0.010 0.000 2.520 251 A HA 0.446 4.766 4.320 -0.000 0.000 0.235 251 A C 0.719 178.307 177.584 0.006 0.000 1.065 251 A CA 0.412 52.453 52.037 0.006 0.000 0.764 251 A CB 0.130 19.128 19.000 -0.003 0.000 1.002 251 A HN 1.057 nan 8.150 nan 0.000 0.502 252 H N 2.421 121.447 119.070 -0.072 0.000 2.800 252 H HA 0.374 4.930 4.556 -0.000 0.000 0.291 252 H C -0.893 174.338 175.328 -0.161 0.000 1.076 252 H CA -0.132 55.830 56.048 -0.143 0.000 1.452 252 H CB 0.219 29.863 29.762 -0.196 0.000 1.461 252 H HN 0.486 nan 8.280 nan 0.000 0.488 253 I N 6.784 126.985 120.570 -0.615 0.000 2.312 253 I HA -0.026 4.144 4.170 -0.000 0.000 0.290 253 I C 0.245 175.989 176.117 -0.621 0.000 1.008 253 I CA -0.569 60.453 61.300 -0.464 0.000 1.226 253 I CB 1.019 38.895 38.000 -0.206 0.000 1.371 253 I HN 0.680 nan 8.210 nan 0.000 0.468 254 Y N 5.154 125.208 120.300 -0.409 0.000 2.153 254 Y HA 0.142 4.692 4.550 -0.000 0.000 0.289 254 Y C 1.273 177.093 175.900 -0.133 0.000 1.127 254 Y CA 1.112 59.073 58.100 -0.232 0.000 1.131 254 Y CB 0.138 38.534 38.460 -0.107 0.000 0.995 254 Y HN 0.667 nan 8.280 nan 0.000 0.505 255 A N -0.775 122.083 122.820 0.062 0.000 2.586 255 A HA 0.381 4.701 4.320 -0.000 0.000 0.291 255 A C -1.440 176.146 177.584 0.004 0.000 1.062 255 A CA -0.829 51.224 52.037 0.025 0.000 0.666 255 A CB 0.779 19.804 19.000 0.043 0.000 1.281 255 A HN 0.097 nan 8.150 nan 0.000 0.421 256 E N 0.963 121.162 120.200 -0.002 0.000 2.266 256 E HA 0.470 4.820 4.350 -0.000 0.000 0.277 256 E C -0.768 175.832 176.600 0.001 0.000 1.018 256 E CA -0.664 55.733 56.400 -0.005 0.000 0.840 256 E CB 0.592 30.290 29.700 -0.003 0.000 1.082 256 E HN 0.464 nan 8.360 nan 0.000 0.395 257 I N 6.654 127.221 120.570 -0.005 0.000 2.308 257 I HA -0.010 4.160 4.170 -0.000 0.000 0.293 257 I C 1.124 177.255 176.117 0.024 0.000 1.078 257 I CA 0.099 61.401 61.300 0.003 0.000 1.292 257 I CB 0.478 38.467 38.000 -0.017 0.000 1.423 257 I HN 0.490 nan 8.210 nan 0.000 0.493 258 V N 3.340 123.274 119.914 0.034 0.000 3.650 258 V HA 0.534 4.654 4.120 -0.000 0.000 0.271 258 V C 0.730 176.860 176.094 0.061 0.000 1.281 258 V CA 0.310 62.634 62.300 0.041 0.000 1.120 258 V CB 0.214 32.055 31.823 0.031 0.000 0.856 258 V HN 0.698 nan 8.190 nan 0.000 0.443 259 G N -0.471 108.377 108.800 0.080 0.000 2.746 259 G HA2 0.538 4.498 3.960 -0.000 0.000 0.297 259 G HA3 0.538 4.498 3.960 -0.000 0.000 0.297 259 G C -2.271 172.734 174.900 0.176 0.000 1.426 259 G CA -0.575 44.589 45.100 0.107 0.000 0.989 259 G HN 0.339 nan 8.290 nan 0.000 0.520 260 Y N 1.550 121.865 120.300 0.024 0.000 2.317 260 Y HA 0.651 5.201 4.550 -0.000 0.000 0.325 260 Y C -0.001 175.918 175.900 0.032 0.000 1.066 260 Y CA -1.299 56.813 58.100 0.021 0.000 1.203 260 Y CB 1.485 39.957 38.460 0.021 0.000 1.127 260 Y HN 0.799 nan 8.280 nan 0.000 0.451 261 G N 3.212 111.934 108.800 -0.132 0.000 2.348 261 G HA2 0.690 4.649 3.960 -0.000 0.000 0.312 261 G HA3 0.690 4.649 3.960 -0.000 0.000 0.312 261 G C -1.415 173.291 174.900 -0.323 0.000 1.126 261 G CA -0.424 44.534 45.100 -0.237 0.000 0.865 261 G HN 1.137 nan 8.290 nan 0.000 0.474 262 A N 1.727 124.364 122.820 -0.305 0.000 2.442 262 A HA 0.832 5.152 4.320 -0.000 0.000 0.284 262 A C -0.002 177.571 177.584 -0.019 0.000 1.058 262 A CA -0.085 51.917 52.037 -0.058 0.000 0.738 262 A CB 1.308 20.297 19.000 -0.017 0.000 1.242 262 A HN 1.500 nan 8.150 nan 0.000 0.421 263 T N -1.395 113.186 114.554 0.045 0.000 2.804 263 T HA 0.871 5.221 4.350 -0.000 0.000 0.290 263 T C -0.284 174.428 174.700 0.021 0.000 1.099 263 T CA -0.482 61.619 62.100 0.001 0.000 1.011 263 T CB 1.779 70.625 68.868 -0.036 0.000 1.291 263 T HN 1.366 nan 8.240 nan 0.000 0.523 264 S N -1.029 114.664 115.700 -0.012 0.000 2.541 264 S HA 0.465 4.935 4.470 -0.000 0.000 0.280 264 S C -0.250 174.332 174.600 -0.030 0.000 1.112 264 S CA -0.615 57.581 58.200 -0.008 0.000 0.925 264 S CB 1.691 64.886 63.200 -0.007 0.000 1.067 264 S HN 0.711 nan 8.310 nan 0.000 0.479 265 D N 2.575 122.957 120.400 -0.029 0.000 2.137 265 D HA 0.153 4.793 4.640 -0.000 0.000 0.202 265 D C 1.439 177.724 176.300 -0.025 0.000 0.970 265 D CA 1.473 55.449 54.000 -0.041 0.000 0.837 265 D CB -0.523 40.253 40.800 -0.040 0.000 0.981 265 D HN 1.042 nan 8.370 nan 0.000 0.475 266 G N 0.250 109.044 108.800 -0.010 0.000 2.323 266 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.292 266 G C 0.619 175.517 174.900 -0.004 0.000 1.040 266 G CA 0.937 46.033 45.100 -0.006 0.000 0.942 266 G HN 0.630 nan 8.290 nan 0.000 0.506 267 A N -1.057 121.764 122.820 0.001 0.000 1.714 267 A HA 0.615 4.935 4.320 -0.000 0.000 0.158 267 A C 0.160 177.754 177.584 0.017 0.000 1.763 267 A CA 0.807 52.846 52.037 0.003 0.000 1.419 267 A CB 0.597 19.593 19.000 -0.006 0.000 1.113 267 A HN 0.306 nan 8.150 nan 0.000 0.895 268 D N -0.155 120.259 120.400 0.024 0.000 2.342 268 D HA 0.459 5.098 4.640 -0.000 0.000 0.243 268 D C 0.601 176.942 176.300 0.069 0.000 1.019 268 D CA -0.599 53.428 54.000 0.044 0.000 0.864 268 D CB 1.536 42.364 40.800 0.047 0.000 1.315 268 D HN 0.067 nan 8.370 nan 0.000 0.468 269 M N 0.762 120.413 119.600 0.086 0.000 2.156 269 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 269 M C 1.689 178.108 176.300 0.198 0.000 1.067 269 M CA 1.364 56.735 55.300 0.119 0.000 1.131 269 M CB -0.221 32.437 32.600 0.096 0.000 1.368 269 M HN 0.404 nan 8.290 nan 0.000 0.416 270 V N -3.986 116.050 119.914 0.203 0.000 3.556 270 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 270 V C 0.579 176.835 176.094 0.271 0.000 1.422 270 V CA -0.014 62.484 62.300 0.329 0.000 1.038 270 V CB -0.538 31.448 31.823 0.272 0.000 0.850 270 V HN 0.160 nan 8.190 nan 0.000 0.437 271 A N 1.780 124.694 122.820 0.157 0.000 2.414 271 A HA 0.908 5.228 4.320 -0.000 0.000 0.306 271 A C -3.052 174.561 177.584 0.048 0.000 1.054 271 A CA -1.828 50.271 52.037 0.104 0.000 0.724 271 A CB 1.381 20.437 19.000 0.094 0.000 1.267 271 A HN 0.170 nan 8.150 nan 0.000 0.418 272 P HA 0.132 nan 4.420 nan 0.000 0.275 272 P C 0.726 177.999 177.300 -0.045 0.000 1.228 272 P CA 0.052 63.126 63.100 -0.043 0.000 0.786 272 P CB 1.407 33.065 31.700 -0.069 0.000 0.927 273 S N 0.988 116.642 115.700 -0.076 0.000 2.478 273 S HA 0.146 4.615 4.470 -0.000 0.000 0.222 273 S C 1.677 176.228 174.600 -0.082 0.000 1.008 273 S CA 0.884 59.046 58.200 -0.062 0.000 0.928 273 S CB -1.058 62.107 63.200 -0.059 0.000 0.781 273 S HN 0.735 nan 8.310 nan 0.000 0.518 274 G N 1.888 110.607 108.800 -0.136 0.000 2.550 274 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.233 274 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.233 274 G C 0.961 175.769 174.900 -0.154 0.000 1.170 274 G CA 0.656 45.669 45.100 -0.146 0.000 0.693 274 G HN 0.499 nan 8.290 nan 0.000 0.512 275 E N 1.667 121.798 120.200 -0.115 0.000 2.051 275 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 275 E C 2.708 179.231 176.600 -0.128 0.000 0.991 275 E CA 2.246 58.586 56.400 -0.101 0.000 0.799 275 E CB -1.019 28.638 29.700 -0.071 0.000 0.748 275 E HN 0.636 nan 8.360 nan 0.000 0.449 276 G N 0.848 109.558 108.800 -0.151 0.000 2.440 276 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 276 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 276 G C 1.738 176.496 174.900 -0.236 0.000 1.154 276 G CA 1.603 46.605 45.100 -0.164 0.000 0.767 276 G HN 0.443 nan 8.290 nan 0.000 0.552 277 A N 0.042 122.625 122.820 -0.394 0.000 1.898 277 A HA 0.120 4.439 4.320 -0.000 0.000 0.216 277 A C 2.613 180.052 177.584 -0.242 0.000 1.181 277 A CA 1.732 53.419 52.037 -0.583 0.000 0.620 277 A CB -0.614 17.760 19.000 -1.043 0.000 0.819 277 A HN 0.257 nan 8.150 nan 0.000 0.442 278 V N 0.162 119.971 119.914 -0.175 0.000 2.287 278 V HA -0.314 3.805 4.120 -0.000 0.000 0.248 278 V C 2.653 178.691 176.094 -0.093 0.000 1.053 278 V CA 2.396 64.633 62.300 -0.105 0.000 1.027 278 V CB -0.835 30.934 31.823 -0.090 0.000 0.646 278 V HN 0.527 nan 8.190 nan 0.000 0.447 279 R N -1.109 119.334 120.500 -0.096 0.000 2.096 279 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 279 R C 2.417 178.677 176.300 -0.066 0.000 1.127 279 R CA 1.707 57.760 56.100 -0.079 0.000 0.968 279 R CB -0.824 29.428 30.300 -0.079 0.000 0.861 279 R HN 0.602 nan 8.270 nan 0.000 0.440 280 C N 0.646 119.912 119.300 -0.057 0.000 2.453 280 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 280 C C 2.601 177.601 174.990 0.017 0.000 1.262 280 C CA 0.774 59.785 59.018 -0.011 0.000 1.718 280 C CB -0.665 27.104 27.740 0.048 0.000 2.031 280 C HN 0.459 nan 8.230 nan 0.000 0.480 281 M N 0.208 119.830 119.600 0.035 0.000 2.117 281 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 281 M C 2.297 178.574 176.300 -0.039 0.000 1.065 281 M CA 1.777 57.096 55.300 0.031 0.000 1.114 281 M CB -0.430 32.197 32.600 0.044 0.000 1.361 281 M HN 0.393 nan 8.290 nan 0.000 0.408 282 K N -0.053 120.305 120.400 -0.070 0.000 2.097 282 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 282 K C 1.994 178.587 176.600 -0.012 0.000 1.050 282 K CA 1.325 57.570 56.287 -0.070 0.000 0.938 282 K CB -0.226 32.231 32.500 -0.071 0.000 0.718 282 K HN 0.369 nan 8.250 nan 0.000 0.442 283 M N 0.706 120.289 119.600 -0.027 0.000 2.086 283 M HA -0.172 4.307 4.480 -0.000 0.000 0.261 283 M C 2.154 178.460 176.300 0.009 0.000 1.067 283 M CA 1.799 57.079 55.300 -0.032 0.000 1.116 283 M CB -0.136 32.413 32.600 -0.085 0.000 1.348 283 M HN 0.164 nan 8.290 nan 0.000 0.407 284 A N 0.040 122.864 122.820 0.006 0.000 2.019 284 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 284 A C 1.963 179.581 177.584 0.056 0.000 1.164 284 A CA 1.608 53.669 52.037 0.041 0.000 0.644 284 A CB -0.642 18.392 19.000 0.057 0.000 0.805 284 A HN 0.660 nan 8.150 nan 0.000 0.449 285 M N -1.495 118.128 119.600 0.039 0.000 2.541 285 M HA 0.051 4.531 4.480 -0.000 0.000 0.252 285 M C 0.489 176.806 176.300 0.028 0.000 1.125 285 M CA -0.001 55.313 55.300 0.024 0.000 1.091 285 M CB -0.036 32.543 32.600 -0.035 0.000 1.420 285 M HN 0.530 nan 8.290 nan 0.000 0.486 286 H N 0.107 119.161 119.070 -0.027 0.000 3.046 286 H HA 0.193 4.749 4.556 -0.000 0.000 0.303 286 H C 1.167 176.489 175.328 -0.011 0.000 1.002 286 H CA 1.648 57.680 56.048 -0.025 0.000 1.460 286 H CB 0.268 30.013 29.762 -0.030 0.000 1.493 286 H HN 0.466 nan 8.280 nan 0.000 0.559 287 G N 3.231 111.800 108.800 -0.386 0.000 2.212 287 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.266 287 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.266 287 G C 0.086 174.935 174.900 -0.085 0.000 0.978 287 G CA 0.310 45.285 45.100 -0.209 0.000 0.632 287 G HN 0.663 nan 8.290 nan 0.000 0.537 288 V N 2.987 122.869 119.914 -0.052 0.000 2.397 288 V HA 0.328 4.448 4.120 -0.000 0.000 0.262 288 V C 1.022 177.102 176.094 -0.023 0.000 1.047 288 V CA 0.473 62.764 62.300 -0.015 0.000 1.003 288 V CB 1.213 33.046 31.823 0.016 0.000 1.037 288 V HN 0.502 nan 8.190 nan 0.000 0.480 289 D N 2.734 123.123 120.400 -0.019 0.000 2.395 289 D HA 0.026 4.666 4.640 -0.000 0.000 0.226 289 D C 0.539 176.839 176.300 -0.001 0.000 1.146 289 D CA -0.072 53.917 54.000 -0.019 0.000 0.830 289 D CB 0.293 41.079 40.800 -0.023 0.000 0.958 289 D HN 0.591 nan 8.370 nan 0.000 0.501 290 T N -2.410 112.152 114.554 0.013 0.000 2.893 290 T HA 0.590 4.939 4.350 -0.000 0.000 0.291 290 T C -2.922 171.806 174.700 0.045 0.000 1.028 290 T CA -1.679 60.436 62.100 0.024 0.000 0.995 290 T CB 2.429 71.310 68.868 0.022 0.000 1.051 290 T HN -0.188 nan 8.240 nan 0.000 0.470 291 P HA 0.356 nan 4.420 nan 0.000 0.276 291 P C -0.423 176.923 177.300 0.077 0.000 1.244 291 P CA -0.722 62.427 63.100 0.081 0.000 0.801 291 P CB 0.539 32.276 31.700 0.062 0.000 1.006 292 I N 2.898 123.534 120.570 0.110 0.000 2.436 292 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 292 I C 1.264 177.363 176.117 -0.031 0.000 1.083 292 I CA 0.421 61.748 61.300 0.046 0.000 1.372 292 I CB -0.198 37.841 38.000 0.065 0.000 1.408 292 I HN 0.315 nan 8.210 nan 0.000 0.516 293 D N 5.195 125.600 120.400 0.007 0.000 2.249 293 D HA -0.071 4.568 4.640 -0.000 0.000 0.205 293 D C 0.010 176.353 176.300 0.072 0.000 0.962 293 D CA 1.218 55.232 54.000 0.024 0.000 0.860 293 D CB 0.419 41.245 40.800 0.043 0.000 0.955 293 D HN 0.540 nan 8.370 nan 0.000 0.505 294 Y N 0.215 120.464 120.300 -0.086 0.000 2.480 294 Y HA 0.409 4.959 4.550 -0.000 0.000 0.329 294 Y C -2.167 173.681 175.900 -0.087 0.000 1.127 294 Y CA -1.029 57.014 58.100 -0.095 0.000 1.037 294 Y CB 1.091 39.496 38.460 -0.091 0.000 1.320 294 Y HN -0.236 nan 8.280 nan 0.000 0.446 295 L N 7.320 127.961 121.223 -0.970 0.000 2.343 295 L HA 0.499 4.838 4.340 -0.000 0.000 0.278 295 L C -1.057 175.185 176.870 -1.047 0.000 0.996 295 L CA -0.531 53.845 54.840 -0.774 0.000 0.831 295 L CB 0.875 42.686 42.059 -0.413 0.000 1.232 295 L HN 0.811 nan 8.230 nan 0.000 0.413 296 N N 3.589 121.838 118.700 -0.753 0.000 2.437 296 N HA 0.143 4.883 4.740 -0.000 0.000 0.243 296 N C -0.445 174.952 175.510 -0.187 0.000 1.041 296 N CA -0.237 52.612 53.050 -0.334 0.000 0.940 296 N CB 1.113 39.584 38.487 -0.026 0.000 1.133 296 N HN 0.708 nan 8.380 nan 0.000 0.506 297 S N 2.633 118.265 115.700 -0.112 0.000 2.632 297 S HA 0.045 4.514 4.470 -0.000 0.000 0.267 297 S C 1.298 175.830 174.600 -0.113 0.000 1.276 297 S CA -0.322 57.840 58.200 -0.063 0.000 0.998 297 S CB 1.319 64.573 63.200 0.090 0.000 0.953 297 S HN 0.761 nan 8.310 nan 0.000 0.547 298 H N 1.932 120.849 119.070 -0.256 0.000 2.299 298 H HA 0.133 4.689 4.556 -0.000 0.000 0.302 298 H C 1.483 176.654 175.328 -0.262 0.000 1.078 298 H CA 1.538 57.383 56.048 -0.338 0.000 1.323 298 H CB -1.112 28.369 29.762 -0.468 0.000 1.381 298 H HN 1.096 nan 8.280 nan 0.000 0.498 299 G N 0.648 109.293 108.800 -0.257 0.000 2.130 299 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.234 299 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.234 299 G C 0.916 175.536 174.900 -0.466 0.000 0.562 299 G CA 0.979 45.873 45.100 -0.345 0.000 1.039 299 G HN 0.832 nan 8.290 nan 0.000 0.378 300 T N -1.500 112.775 114.554 -0.466 0.000 3.107 300 T HA 0.436 4.786 4.350 -0.000 0.000 0.249 300 T C 1.279 175.914 174.700 -0.109 0.000 1.096 300 T CA 0.997 62.864 62.100 -0.387 0.000 1.012 300 T CB 0.385 68.984 68.868 -0.449 0.000 0.977 300 T HN 1.764 nan 8.240 nan 0.000 0.527 301 S N 0.804 116.424 115.700 -0.133 0.000 3.619 301 S HA -0.120 4.350 4.470 -0.000 0.000 0.287 301 S C 0.191 174.822 174.600 0.052 0.000 1.222 301 S CA 0.532 58.700 58.200 -0.053 0.000 0.821 301 S CB -2.070 61.118 63.200 -0.021 0.000 0.985 301 S HN 1.197 nan 8.310 nan 0.000 0.611 302 T N -0.773 113.819 114.554 0.063 0.000 2.859 302 T HA 0.664 5.014 4.350 -0.000 0.000 0.281 302 T C -1.518 173.237 174.700 0.090 0.000 1.005 302 T CA -1.735 60.438 62.100 0.122 0.000 1.025 302 T CB 1.702 70.678 68.868 0.179 0.000 0.977 302 T HN -0.075 nan 8.240 nan 0.000 0.458 303 P HA -0.128 nan 4.420 nan 0.000 0.214 303 P C 1.623 178.972 177.300 0.082 0.000 1.163 303 P CA 0.656 63.804 63.100 0.079 0.000 0.889 303 P CB -0.009 31.737 31.700 0.076 0.000 0.790 304 V N -0.519 119.451 119.914 0.092 0.000 2.379 304 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 304 V C 2.615 178.766 176.094 0.094 0.000 1.035 304 V CA 2.297 64.650 62.300 0.087 0.000 1.035 304 V CB -1.836 30.039 31.823 0.087 0.000 0.673 304 V HN 0.152 nan 8.190 nan 0.000 0.457 305 G N -0.025 108.840 108.800 0.108 0.000 2.440 305 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 305 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 305 G C 1.184 176.167 174.900 0.140 0.000 1.154 305 G CA 1.152 46.327 45.100 0.124 0.000 0.767 305 G HN 0.493 nan 8.290 nan 0.000 0.552 306 D N 0.120 120.585 120.400 0.108 0.000 2.123 306 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 306 D C 2.869 179.315 176.300 0.243 0.000 0.992 306 D CA 1.730 55.810 54.000 0.133 0.000 0.833 306 D CB -0.384 40.442 40.800 0.044 0.000 0.954 306 D HN 0.401 nan 8.370 nan 0.000 0.455 307 V N -1.925 118.092 119.914 0.172 0.000 2.878 307 V HA 0.058 4.178 4.120 -0.000 0.000 0.250 307 V C 1.972 178.127 176.094 0.101 0.000 1.075 307 V CA 0.469 62.852 62.300 0.140 0.000 1.096 307 V CB -0.206 31.678 31.823 0.102 0.000 0.724 307 V HN -0.111 nan 8.190 nan 0.000 0.467 308 K N 1.271 121.725 120.400 0.090 0.000 2.044 308 K HA -0.242 4.077 4.320 -0.000 0.000 0.210 308 K C 2.166 178.804 176.600 0.063 0.000 1.049 308 K CA 2.299 58.619 56.287 0.055 0.000 0.927 308 K CB -0.441 32.081 32.500 0.037 0.000 0.713 308 K HN 0.765 nan 8.250 nan 0.000 0.443 309 E N 0.954 121.233 120.200 0.132 0.000 2.085 309 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 309 E C 2.170 178.869 176.600 0.165 0.000 0.994 309 E CA 0.896 57.415 56.400 0.198 0.000 0.801 309 E CB -0.034 29.882 29.700 0.359 0.000 0.743 309 E HN 0.195 nan 8.360 nan 0.000 0.453 310 L N 0.375 121.684 121.223 0.145 0.000 2.046 310 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 310 L C 2.750 179.655 176.870 0.059 0.000 1.077 310 L CA 0.961 55.847 54.840 0.077 0.000 0.747 310 L CB -0.609 41.462 42.059 0.019 0.000 0.896 310 L HN 0.244 nan 8.230 nan 0.000 0.432 311 A N 0.366 123.217 122.820 0.052 0.000 1.883 311 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 311 A C 2.564 180.168 177.584 0.033 0.000 1.186 311 A CA 2.054 54.112 52.037 0.034 0.000 0.624 311 A CB -0.818 18.196 19.000 0.023 0.000 0.822 311 A HN 0.414 nan 8.150 nan 0.000 0.444 312 A N -0.168 122.670 122.820 0.030 0.000 1.908 312 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 312 A C 2.135 179.764 177.584 0.074 0.000 1.181 312 A CA 1.650 53.697 52.037 0.016 0.000 0.627 312 A CB -0.689 18.291 19.000 -0.033 0.000 0.818 312 A HN 0.525 nan 8.150 nan 0.000 0.445 313 I N -0.769 119.884 120.570 0.138 0.000 2.208 313 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 313 I C 2.776 179.055 176.117 0.269 0.000 1.097 313 I CA 1.428 62.879 61.300 0.252 0.000 1.363 313 I CB -0.365 37.746 38.000 0.186 0.000 1.051 313 I HN 0.313 nan 8.210 nan 0.000 0.413 314 R N 0.404 120.986 120.500 0.137 0.000 2.083 314 R HA -0.236 4.104 4.340 -0.000 0.000 0.237 314 R C 2.225 178.573 176.300 0.080 0.000 1.137 314 R CA 1.782 57.944 56.100 0.103 0.000 0.951 314 R CB -0.496 29.834 30.300 0.051 0.000 0.851 314 R HN 0.472 nan 8.270 nan 0.000 0.434 315 E N 0.516 120.740 120.200 0.041 0.000 2.106 315 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 315 E C 1.950 178.524 176.600 -0.042 0.000 0.984 315 E CA 0.992 57.391 56.400 -0.002 0.000 0.806 315 E CB 0.249 29.939 29.700 -0.017 0.000 0.750 315 E HN 0.092 nan 8.360 nan 0.000 0.458 316 V N 0.069 119.936 119.914 -0.077 0.000 2.307 316 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 316 V C 1.714 177.584 176.094 -0.373 0.000 1.045 316 V CA 1.598 63.732 62.300 -0.277 0.000 1.024 316 V CB -0.423 31.136 31.823 -0.439 0.000 0.651 316 V HN 0.268 nan 8.190 nan 0.000 0.449 317 F N -0.098 119.848 119.950 -0.006 0.000 2.746 317 F HA 0.476 5.003 4.527 -0.000 0.000 0.297 317 F C 1.886 177.681 175.800 -0.009 0.000 1.113 317 F CA 0.582 58.577 58.000 -0.008 0.000 1.367 317 F CB -0.485 38.508 39.000 -0.011 0.000 1.111 317 F HN 0.266 nan 8.300 nan 0.000 0.590 318 G N 1.234 110.108 108.800 0.123 0.000 2.629 318 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.313 318 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.313 318 G C 0.305 175.252 174.900 0.079 0.000 1.217 318 G CA 0.763 45.906 45.100 0.072 0.000 0.994 318 G HN 0.307 nan 8.290 nan 0.000 0.549 319 D N 1.475 121.911 120.400 0.060 0.000 2.460 319 D HA 0.328 4.968 4.640 -0.000 0.000 0.229 319 D C 0.745 177.075 176.300 0.050 0.000 1.170 319 D CA 0.378 54.405 54.000 0.044 0.000 0.827 319 D CB 0.455 41.271 40.800 0.027 0.000 0.973 319 D HN 0.498 nan 8.370 nan 0.000 0.496 320 K N 0.557 121.009 120.400 0.086 0.000 3.301 320 K HA 0.121 4.441 4.320 -0.000 0.000 0.170 320 K C -0.532 176.117 176.600 0.082 0.000 1.061 320 K CA -0.241 56.094 56.287 0.081 0.000 0.807 320 K CB 1.009 33.569 32.500 0.100 0.000 0.889 320 K HN 0.012 nan 8.250 nan 0.000 0.564 321 S N 0.691 116.389 115.700 -0.003 0.000 2.584 321 S HA 0.471 4.941 4.470 -0.000 0.000 0.273 321 S C -1.727 172.694 174.600 -0.299 0.000 1.311 321 S CA -1.058 57.031 58.200 -0.186 0.000 1.034 321 S CB 0.537 63.673 63.200 -0.106 0.000 0.939 321 S HN 0.130 nan 8.310 nan 0.000 0.513 322 P HA 0.392 nan 4.420 nan 0.000 0.278 322 P C -0.539 176.626 177.300 -0.225 0.000 1.266 322 P CA -0.637 62.246 63.100 -0.362 0.000 0.807 322 P CB 0.493 31.889 31.700 -0.506 0.000 1.094 323 A N 1.519 124.274 122.820 -0.108 0.000 2.511 323 A HA 0.344 4.664 4.320 -0.000 0.000 0.242 323 A C 0.241 177.800 177.584 -0.041 0.000 1.069 323 A CA 0.185 52.211 52.037 -0.019 0.000 0.763 323 A CB -0.849 18.199 19.000 0.081 0.000 1.001 323 A HN 0.475 nan 8.150 nan 0.000 0.498 324 I N 1.789 122.341 120.570 -0.031 0.000 2.545 324 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 324 I C 0.137 176.307 176.117 0.089 0.000 1.040 324 I CA -0.129 61.120 61.300 -0.085 0.000 1.068 324 I CB 2.517 40.437 38.000 -0.134 0.000 1.251 324 I HN 0.781 nan 8.210 nan 0.000 0.424 325 S N 3.883 119.681 115.700 0.163 0.000 2.564 325 S HA 0.869 5.338 4.470 -0.000 0.000 0.274 325 S C -0.933 173.775 174.600 0.180 0.000 1.124 325 S CA -0.847 57.489 58.200 0.227 0.000 0.869 325 S CB 2.057 65.409 63.200 0.253 0.000 1.105 325 S HN 0.741 nan 8.310 nan 0.000 0.472 326 A N 1.799 124.714 122.820 0.158 0.000 2.322 326 A HA 0.577 4.897 4.320 -0.000 0.000 0.327 326 A C 1.119 178.702 177.584 -0.002 0.000 1.394 326 A CA -0.247 51.807 52.037 0.028 0.000 0.921 326 A CB -0.313 18.612 19.000 -0.125 0.000 1.153 326 A HN 1.229 nan 8.150 nan 0.000 0.523 327 T N -0.049 114.516 114.554 0.019 0.000 3.035 327 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 327 T C 1.335 176.005 174.700 -0.049 0.000 1.109 327 T CA 1.157 63.244 62.100 -0.021 0.000 1.119 327 T CB -0.297 68.560 68.868 -0.019 0.000 0.900 327 T HN 0.633 nan 8.240 nan 0.000 0.503 328 K N 1.271 121.632 120.400 -0.065 0.000 2.360 328 K HA 0.148 4.468 4.320 -0.000 0.000 0.201 328 K C 2.601 179.163 176.600 -0.064 0.000 1.046 328 K CA 0.874 57.114 56.287 -0.078 0.000 0.945 328 K CB -0.352 32.046 32.500 -0.170 0.000 0.750 328 K HN 0.486 nan 8.250 nan 0.000 0.464 329 A N 1.055 123.829 122.820 -0.077 0.000 1.972 329 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 329 A C 2.022 179.581 177.584 -0.042 0.000 1.169 329 A CA 1.369 53.369 52.037 -0.062 0.000 0.635 329 A CB -0.296 18.668 19.000 -0.061 0.000 0.810 329 A HN 0.198 nan 8.150 nan 0.000 0.446 330 M N -1.048 118.521 119.600 -0.051 0.000 2.325 330 M HA -0.048 4.432 4.480 -0.000 0.000 0.265 330 M C 2.245 178.521 176.300 -0.039 0.000 1.094 330 M CA 1.722 56.990 55.300 -0.053 0.000 1.161 330 M CB -0.127 32.416 32.600 -0.094 0.000 1.358 330 M HN 0.607 nan 8.290 nan 0.000 0.446 331 T N -2.650 111.882 114.554 -0.037 0.000 3.037 331 T HA 0.442 4.792 4.350 -0.000 0.000 0.252 331 T C 1.058 175.783 174.700 0.042 0.000 1.073 331 T CA 0.355 62.453 62.100 -0.003 0.000 1.091 331 T CB -0.014 68.874 68.868 0.033 0.000 0.935 331 T HN 0.534 nan 8.240 nan 0.000 0.488 332 G N 1.260 110.090 108.800 0.050 0.000 2.828 332 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.463 332 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.463 332 G C -0.844 174.125 174.900 0.115 0.000 1.394 332 G CA -0.303 44.861 45.100 0.107 0.000 0.862 332 G HN 0.845 nan 8.290 nan 0.000 0.540 333 H N 0.583 119.663 119.070 0.017 0.000 2.623 333 H HA 0.609 5.165 4.556 -0.000 0.000 0.299 333 H C 1.465 176.739 175.328 -0.090 0.000 1.052 333 H CA -0.151 55.820 56.048 -0.128 0.000 1.231 333 H CB 0.648 30.164 29.762 -0.411 0.000 1.389 333 H HN 0.848 nan 8.280 nan 0.000 0.469 334 S N 4.915 120.723 115.700 0.181 0.000 2.660 334 S HA 0.185 4.655 4.470 -0.000 0.000 0.227 334 S C 1.167 175.768 174.600 0.002 0.000 0.948 334 S CA -0.093 58.134 58.200 0.045 0.000 0.948 334 S CB -0.505 62.715 63.200 0.032 0.000 0.779 334 S HN 0.719 nan 8.310 nan 0.000 0.487 335 L N -0.321 120.852 121.223 -0.084 0.000 5.495 335 L HA -0.324 4.016 4.340 -0.000 0.000 0.053 335 L C 2.182 179.087 176.870 0.059 0.000 3.054 335 L CA 1.334 56.072 54.840 -0.170 0.000 1.426 335 L CB -2.042 39.895 42.059 -0.204 0.000 3.005 335 L HN 0.433 nan 8.230 nan 0.000 0.998 336 G N -1.032 107.806 108.800 0.063 0.000 2.448 336 G HA2 0.037 3.997 3.960 -0.000 0.000 0.219 336 G HA3 0.037 3.997 3.960 -0.000 0.000 0.219 336 G C 1.255 176.192 174.900 0.062 0.000 1.127 336 G CA 1.350 46.502 45.100 0.086 0.000 0.766 336 G HN 0.859 nan 8.290 nan 0.000 0.552 337 A N 0.369 123.218 122.820 0.048 0.000 2.178 337 A HA 0.632 4.951 4.320 -0.000 0.000 0.211 337 A C 2.568 180.142 177.584 -0.017 0.000 1.157 337 A CA 1.299 53.346 52.037 0.018 0.000 0.780 337 A CB -0.228 18.785 19.000 0.020 0.000 0.828 337 A HN 0.527 nan 8.150 nan 0.000 0.476 338 A N 0.093 122.923 122.820 0.017 0.000 1.902 338 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 338 A C 2.337 179.869 177.584 -0.087 0.000 1.181 338 A CA 1.894 53.922 52.037 -0.015 0.000 0.623 338 A CB -1.277 17.749 19.000 0.043 0.000 0.818 338 A HN 0.665 nan 8.150 nan 0.000 0.443 339 G N -0.940 107.820 108.800 -0.066 0.000 2.446 339 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 339 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 339 G C 1.644 176.460 174.900 -0.140 0.000 1.168 339 G CA 1.311 46.349 45.100 -0.103 0.000 0.771 339 G HN 0.574 nan 8.290 nan 0.000 0.551 340 V N 0.002 119.837 119.914 -0.131 0.000 2.488 340 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 340 V C 2.711 178.653 176.094 -0.254 0.000 1.046 340 V CA 2.337 64.541 62.300 -0.160 0.000 1.053 340 V CB -0.194 31.560 31.823 -0.115 0.000 0.679 340 V HN 0.491 nan 8.190 nan 0.000 0.458 341 Q N -0.330 119.288 119.800 -0.302 0.000 2.084 341 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 341 Q C 2.157 177.572 176.000 -0.976 0.000 0.978 341 Q CA 2.230 57.690 55.803 -0.572 0.000 0.844 341 Q CB -0.132 28.337 28.738 -0.449 0.000 0.898 341 Q HN 0.721 nan 8.270 nan 0.000 0.426 342 E N 0.313 120.168 120.200 -0.576 0.000 2.208 342 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 342 E C 1.907 178.375 176.600 -0.220 0.000 0.988 342 E CA 0.636 56.816 56.400 -0.366 0.000 0.828 342 E CB -0.040 29.586 29.700 -0.123 0.000 0.763 342 E HN 0.328 nan 8.360 nan 0.000 0.478 343 A N 1.324 124.012 122.820 -0.219 0.000 1.877 343 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 343 A C 2.171 179.655 177.584 -0.168 0.000 1.186 343 A CA 1.133 53.078 52.037 -0.154 0.000 0.620 343 A CB -0.590 18.319 19.000 -0.152 0.000 0.822 343 A HN 0.142 nan 8.150 nan 0.000 0.443 344 I N -1.480 118.932 120.570 -0.262 0.000 2.226 344 I HA -0.289 3.880 4.170 -0.000 0.000 0.245 344 I C 2.373 178.438 176.117 -0.086 0.000 1.100 344 I CA 1.383 62.546 61.300 -0.229 0.000 1.374 344 I CB -0.500 37.341 38.000 -0.265 0.000 1.057 344 I HN 0.398 nan 8.210 nan 0.000 0.413 345 Y N 0.773 121.050 120.300 -0.038 0.000 2.181 345 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 345 Y C 2.930 178.804 175.900 -0.043 0.000 1.146 345 Y CA 0.899 58.986 58.100 -0.022 0.000 1.164 345 Y CB -1.425 37.029 38.460 -0.009 0.000 0.982 345 Y HN 0.106 nan 8.280 nan 0.000 0.515 346 S N 0.136 115.913 115.700 0.130 0.000 2.368 346 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 346 S C 2.163 176.783 174.600 0.033 0.000 1.030 346 S CA 1.183 59.447 58.200 0.107 0.000 0.999 346 S CB -0.652 62.620 63.200 0.121 0.000 0.844 346 S HN 0.355 nan 8.310 nan 0.000 0.459 347 L N 1.016 122.242 121.223 0.006 0.000 2.093 347 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 347 L C 2.201 179.127 176.870 0.093 0.000 1.085 347 L CA 0.918 55.763 54.840 0.009 0.000 0.755 347 L CB -0.574 41.407 42.059 -0.129 0.000 0.904 347 L HN 0.285 nan 8.230 nan 0.000 0.435 348 L N -1.076 120.216 121.223 0.116 0.000 2.046 348 L HA -0.234 4.105 4.340 -0.000 0.000 0.208 348 L C 2.659 179.663 176.870 0.222 0.000 1.077 348 L CA 1.346 56.360 54.840 0.290 0.000 0.747 348 L CB -0.417 41.815 42.059 0.287 0.000 0.896 348 L HN 0.297 nan 8.230 nan 0.000 0.432 349 M N -0.788 118.727 119.600 -0.142 0.000 2.117 349 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 349 M C 2.334 178.513 176.300 -0.202 0.000 1.065 349 M CA 1.613 56.573 55.300 -0.566 0.000 1.114 349 M CB -0.404 31.693 32.600 -0.839 0.000 1.361 349 M HN 0.220 nan 8.290 nan 0.000 0.408 350 L N 0.641 121.825 121.223 -0.064 0.000 2.017 350 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 350 L C 2.279 179.176 176.870 0.046 0.000 1.073 350 L CA 2.047 56.890 54.840 0.004 0.000 0.745 350 L CB -0.565 41.517 42.059 0.039 0.000 0.894 350 L HN 0.229 nan 8.230 nan 0.000 0.432 351 E N -1.457 118.802 120.200 0.100 0.000 2.106 351 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 351 E C 1.811 178.333 176.600 -0.131 0.000 0.984 351 E CA 1.478 57.889 56.400 0.018 0.000 0.806 351 E CB -0.094 29.675 29.700 0.116 0.000 0.750 351 E HN 0.639 nan 8.360 nan 0.000 0.458 352 H N -1.447 117.736 119.070 0.187 0.000 2.586 352 H HA 0.281 4.837 4.556 -0.000 0.000 0.273 352 H C 0.520 175.997 175.328 0.250 0.000 0.997 352 H CA 0.549 56.732 56.048 0.225 0.000 1.177 352 H CB 0.886 30.834 29.762 0.310 0.000 1.471 352 H HN 0.273 nan 8.280 nan 0.000 0.538 353 G N 2.003 110.952 108.800 0.247 0.000 2.353 353 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.294 353 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.294 353 G C -0.317 174.725 174.900 0.236 0.000 1.077 353 G CA 0.571 45.763 45.100 0.154 0.000 1.098 353 G HN 0.460 nan 8.290 nan 0.000 0.511 354 F N -1.839 118.095 119.950 -0.027 0.000 2.713 354 F HA 0.828 5.355 4.527 -0.000 0.000 0.311 354 F C -0.902 174.795 175.800 -0.171 0.000 1.141 354 F CA -2.715 55.242 58.000 -0.072 0.000 0.939 354 F CB 1.039 40.008 39.000 -0.052 0.000 1.325 354 F HN 0.074 nan 8.300 nan 0.000 0.453 355 I N 2.579 122.992 120.570 -0.262 0.000 2.378 355 I HA 0.651 4.821 4.170 -0.000 0.000 0.291 355 I C 0.148 176.154 176.117 -0.185 0.000 0.992 355 I CA -1.037 59.961 61.300 -0.505 0.000 1.154 355 I CB 1.645 39.463 38.000 -0.303 0.000 1.315 355 I HN 0.972 nan 8.210 nan 0.000 0.448 356 A N 8.953 131.596 122.820 -0.295 0.000 2.407 356 A HA 0.556 4.876 4.320 -0.000 0.000 0.248 356 A C -2.381 175.217 177.584 0.023 0.000 1.082 356 A CA -1.121 50.934 52.037 0.029 0.000 0.785 356 A CB -0.263 18.736 19.000 -0.002 0.000 1.020 356 A HN 0.425 nan 8.150 nan 0.000 0.489 357 P HA 0.152 nan 4.420 nan 0.000 0.278 357 P C -0.365 176.965 177.300 0.050 0.000 1.238 357 P CA -0.264 62.864 63.100 0.047 0.000 0.794 357 P CB 1.147 32.867 31.700 0.034 0.000 0.955 358 S N 2.222 117.967 115.700 0.074 0.000 2.411 358 S HA 0.336 4.806 4.470 -0.000 0.000 0.304 358 S C 0.653 175.287 174.600 0.056 0.000 1.098 358 S CA -0.671 57.580 58.200 0.084 0.000 1.068 358 S CB -1.349 61.948 63.200 0.161 0.000 1.032 358 S HN 0.325 nan 8.310 nan 0.000 0.511 359 I N 2.008 122.591 120.570 0.022 0.000 3.078 359 I HA 0.535 4.705 4.170 -0.000 0.000 0.318 359 I C 0.380 176.497 176.117 -0.000 0.000 1.016 359 I CA -0.709 60.596 61.300 0.009 0.000 1.130 359 I CB 0.404 38.399 38.000 -0.008 0.000 1.397 359 I HN 0.463 nan 8.210 nan 0.000 0.570 360 N N 0.960 119.656 118.700 -0.007 0.000 2.741 360 N HA -0.174 4.566 4.740 -0.000 0.000 0.250 360 N C -0.639 174.870 175.510 -0.002 0.000 1.115 360 N CA 0.943 53.979 53.050 -0.023 0.000 0.724 360 N CB -1.498 36.950 38.487 -0.065 0.000 1.090 360 N HN 0.604 nan 8.380 nan 0.000 0.558 361 I N 1.105 121.692 120.570 0.029 0.000 2.269 361 I HA 0.059 4.229 4.170 -0.000 0.000 0.293 361 I C 1.497 177.646 176.117 0.054 0.000 1.106 361 I CA -0.159 61.175 61.300 0.056 0.000 1.248 361 I CB 0.601 38.651 38.000 0.084 0.000 1.444 361 I HN -0.004 nan 8.210 nan 0.000 0.497 362 E N 4.219 124.457 120.200 0.063 0.000 2.190 362 E HA -0.001 4.348 4.350 -0.000 0.000 0.191 362 E C 0.449 177.099 176.600 0.084 0.000 0.978 362 E CA 0.628 57.068 56.400 0.066 0.000 0.839 362 E CB 0.612 30.351 29.700 0.065 0.000 0.787 362 E HN 0.584 nan 8.360 nan 0.000 0.473 363 E N 1.070 121.335 120.200 0.109 0.000 2.302 363 E HA 0.163 4.512 4.350 -0.000 0.000 0.263 363 E C -1.456 175.193 176.600 0.082 0.000 0.897 363 E CA -0.501 55.959 56.400 0.100 0.000 0.809 363 E CB 1.220 31.006 29.700 0.144 0.000 1.270 363 E HN -0.094 nan 8.360 nan 0.000 0.410 364 L N 4.260 125.521 121.223 0.062 0.000 2.410 364 L HA 0.177 4.517 4.340 -0.000 0.000 0.273 364 L C 0.199 177.097 176.870 0.046 0.000 1.152 364 L CA 0.314 55.190 54.840 0.060 0.000 0.855 364 L CB 0.838 42.918 42.059 0.035 0.000 1.129 364 L HN 0.585 nan 8.230 nan 0.000 0.463 365 D N 3.377 123.815 120.400 0.063 0.000 2.488 365 D HA -0.105 4.534 4.640 -0.000 0.000 0.238 365 D C 0.957 177.271 176.300 0.023 0.000 1.138 365 D CA 0.587 54.614 54.000 0.045 0.000 0.873 365 D CB 0.925 41.776 40.800 0.085 0.000 1.183 365 D HN 0.839 nan 8.370 nan 0.000 0.458 366 E N 2.393 122.601 120.200 0.014 0.000 2.204 366 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 366 E C 1.071 177.673 176.600 0.004 0.000 0.990 366 E CA 1.047 57.451 56.400 0.008 0.000 0.821 366 E CB -0.098 29.606 29.700 0.007 0.000 0.750 366 E HN 0.563 nan 8.360 nan 0.000 0.477 367 Q N -0.109 119.698 119.800 0.012 0.000 2.482 367 Q HA 0.090 4.429 4.340 -0.000 0.000 0.209 367 Q C 1.578 177.570 176.000 -0.014 0.000 0.961 367 Q CA 0.611 56.420 55.803 0.009 0.000 0.945 367 Q CB 0.288 29.043 28.738 0.028 0.000 1.012 367 Q HN 0.445 nan 8.270 nan 0.000 0.515 368 A N 0.571 123.369 122.820 -0.037 0.000 2.251 368 A HA 0.359 4.679 4.320 -0.000 0.000 0.209 368 A C 0.957 178.491 177.584 -0.083 0.000 1.187 368 A CA 0.069 52.042 52.037 -0.107 0.000 0.823 368 A CB 0.059 18.952 19.000 -0.178 0.000 0.846 368 A HN 0.277 nan 8.150 nan 0.000 0.486 369 A N -1.114 121.680 122.820 -0.043 0.000 2.498 369 A HA 0.444 4.764 4.320 -0.000 0.000 0.239 369 A C 1.647 179.209 177.584 -0.035 0.000 1.068 369 A CA 0.594 52.611 52.037 -0.033 0.000 0.766 369 A CB -0.500 18.490 19.000 -0.016 0.000 1.003 369 A HN 1.908 nan 8.150 nan 0.000 0.497 370 G N 0.345 109.125 108.800 -0.033 0.000 2.179 370 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 370 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 370 G C 0.011 174.885 174.900 -0.042 0.000 0.977 370 G CA 0.572 45.654 45.100 -0.029 0.000 0.641 370 G HN 0.837 nan 8.290 nan 0.000 0.533 371 L N 0.085 121.269 121.223 -0.065 0.000 2.334 371 L HA 0.490 4.830 4.340 -0.000 0.000 0.273 371 L C 0.294 177.108 176.870 -0.092 0.000 1.013 371 L CA -1.165 53.622 54.840 -0.089 0.000 0.816 371 L CB 1.611 43.594 42.059 -0.127 0.000 1.278 371 L HN 0.073 nan 8.230 nan 0.000 0.431 372 N N 3.306 121.953 118.700 -0.088 0.000 2.895 372 N HA 0.129 4.869 4.740 -0.000 0.000 0.277 372 N C -0.612 174.857 175.510 -0.068 0.000 1.185 372 N CA -0.332 52.680 53.050 -0.064 0.000 1.106 372 N CB 0.005 38.464 38.487 -0.047 0.000 1.422 372 N HN 0.309 nan 8.380 nan 0.000 0.521 373 I N 3.126 123.646 120.570 -0.084 0.000 2.421 373 I HA 0.064 4.234 4.170 -0.000 0.000 0.291 373 I C 0.195 176.312 176.117 -0.001 0.000 1.089 373 I CA -0.454 60.804 61.300 -0.069 0.000 1.354 373 I CB 0.139 38.065 38.000 -0.124 0.000 1.413 373 I HN 0.049 nan 8.210 nan 0.000 0.513 374 V N 7.389 127.326 119.914 0.039 0.000 2.455 374 V HA 0.148 4.268 4.120 -0.000 0.000 0.273 374 V C 1.324 177.451 176.094 0.056 0.000 1.045 374 V CA -0.005 62.324 62.300 0.048 0.000 0.976 374 V CB 0.999 32.863 31.823 0.068 0.000 0.993 374 V HN 0.912 nan 8.190 nan 0.000 0.475 375 T N 0.593 115.172 114.554 0.041 0.000 3.044 375 T HA 0.264 4.614 4.350 -0.000 0.000 0.260 375 T C 0.221 174.940 174.700 0.031 0.000 1.019 375 T CA -0.229 61.896 62.100 0.041 0.000 0.921 375 T CB -0.035 68.855 68.868 0.037 0.000 1.053 375 T HN 0.777 nan 8.240 nan 0.000 0.533 376 E N 0.728 120.946 120.200 0.030 0.000 2.293 376 E HA 0.482 4.832 4.350 -0.000 0.000 0.270 376 E C -1.337 175.285 176.600 0.035 0.000 0.879 376 E CA -1.069 55.346 56.400 0.025 0.000 0.756 376 E CB 1.205 30.915 29.700 0.017 0.000 1.208 376 E HN -0.112 nan 8.360 nan 0.000 0.428 377 T N 2.292 116.869 114.554 0.038 0.000 2.908 377 T HA 0.115 4.465 4.350 -0.000 0.000 0.301 377 T C -0.402 174.337 174.700 0.064 0.000 1.019 377 T CA 0.344 62.488 62.100 0.072 0.000 1.152 377 T CB 0.295 69.184 68.868 0.036 0.000 0.966 377 T HN 0.439 nan 8.240 nan 0.000 0.540 378 T N 4.120 118.731 114.554 0.095 0.000 2.890 378 T HA 0.212 4.562 4.350 -0.000 0.000 0.295 378 T C -0.525 174.234 174.700 0.100 0.000 0.993 378 T CA -0.894 61.245 62.100 0.066 0.000 0.979 378 T CB 0.981 69.871 68.868 0.036 0.000 0.967 378 T HN 0.461 nan 8.240 nan 0.000 0.441 379 D N 3.100 123.551 120.400 0.085 0.000 2.383 379 D HA 0.297 4.937 4.640 -0.000 0.000 0.252 379 D C 0.416 176.755 176.300 0.065 0.000 1.166 379 D CA 0.301 54.361 54.000 0.100 0.000 0.879 379 D CB 0.920 41.758 40.800 0.064 0.000 1.164 379 D HN 0.409 nan 8.370 nan 0.000 0.462 380 R N 1.578 122.118 120.500 0.065 0.000 2.563 380 R HA 0.080 4.420 4.340 -0.000 0.000 0.262 380 R C -1.171 175.146 176.300 0.028 0.000 1.128 380 R CA -0.628 55.491 56.100 0.032 0.000 0.969 380 R CB 1.415 31.722 30.300 0.011 0.000 1.251 380 R HN 0.355 nan 8.270 nan 0.000 0.442 381 E N 5.370 125.584 120.200 0.024 0.000 2.265 381 E HA 0.159 4.509 4.350 -0.000 0.000 0.272 381 E C -0.863 175.744 176.600 0.011 0.000 1.067 381 E CA -0.149 56.263 56.400 0.020 0.000 0.900 381 E CB 0.573 30.283 29.700 0.018 0.000 1.017 381 E HN 0.373 nan 8.360 nan 0.000 0.431 382 L N 3.574 124.800 121.223 0.005 0.000 2.334 382 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 382 L C 0.841 177.720 176.870 0.015 0.000 1.020 382 L CA -0.659 54.186 54.840 0.008 0.000 0.812 382 L CB 1.889 43.945 42.059 -0.005 0.000 1.264 382 L HN 0.574 nan 8.230 nan 0.000 0.439 383 T N -1.689 112.878 114.554 0.022 0.000 3.075 383 T HA 0.106 4.456 4.350 -0.000 0.000 0.251 383 T C 0.222 174.939 174.700 0.028 0.000 0.979 383 T CA 0.325 62.437 62.100 0.021 0.000 1.033 383 T CB 0.655 69.533 68.868 0.017 0.000 1.104 383 T HN 0.613 nan 8.240 nan 0.000 0.473 384 T N 2.818 117.395 114.554 0.037 0.000 2.879 384 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 384 T C -0.814 173.919 174.700 0.056 0.000 0.993 384 T CA -0.725 61.401 62.100 0.043 0.000 0.975 384 T CB 2.111 71.005 68.868 0.044 0.000 0.981 384 T HN 0.231 nan 8.240 nan 0.000 0.439 385 V N 1.188 121.139 119.914 0.061 0.000 2.914 385 V HA 0.890 5.010 4.120 -0.000 0.000 0.314 385 V C -0.691 175.421 176.094 0.030 0.000 1.084 385 V CA -1.220 61.122 62.300 0.071 0.000 0.963 385 V CB 2.151 34.066 31.823 0.153 0.000 1.025 385 V HN 0.993 nan 8.190 nan 0.000 0.432 386 M N 3.093 122.677 119.600 -0.027 0.000 2.530 386 M HA 0.759 5.239 4.480 -0.000 0.000 0.307 386 M C -1.044 175.199 176.300 -0.094 0.000 1.161 386 M CA -0.300 54.984 55.300 -0.027 0.000 0.903 386 M CB 2.219 34.831 32.600 0.020 0.000 1.711 386 M HN 0.994 nan 8.290 nan 0.000 0.451 387 S N 3.161 118.817 115.700 -0.073 0.000 2.672 387 S HA 0.570 5.040 4.470 -0.000 0.000 0.291 387 S C -1.497 173.011 174.600 -0.154 0.000 1.145 387 S CA -0.779 57.352 58.200 -0.115 0.000 1.013 387 S CB 0.963 64.110 63.200 -0.088 0.000 1.017 387 S HN 0.848 nan 8.310 nan 0.000 0.487 388 N N 2.128 120.679 118.700 -0.249 0.000 2.473 388 N HA 0.552 5.292 4.740 -0.000 0.000 0.291 388 N C -1.262 173.881 175.510 -0.612 0.000 1.083 388 N CA -0.388 52.354 53.050 -0.514 0.000 0.951 388 N CB 1.805 39.839 38.487 -0.756 0.000 1.164 388 N HN 0.492 nan 8.380 nan 0.000 0.480 389 S N 1.580 116.830 115.700 -0.750 0.000 2.775 389 S HA 0.453 4.923 4.470 -0.000 0.000 0.277 389 S C -1.292 172.977 174.600 -0.552 0.000 1.156 389 S CA -0.596 57.300 58.200 -0.508 0.000 1.081 389 S CB 0.144 63.198 63.200 -0.243 0.000 1.054 389 S HN 0.273 nan 8.310 nan 0.000 0.482 390 F N 2.007 121.543 119.950 -0.689 0.000 2.359 390 F HA 0.562 5.088 4.527 -0.000 0.000 0.369 390 F C 0.941 176.376 175.800 -0.608 0.000 1.084 390 F CA -1.266 56.345 58.000 -0.648 0.000 1.096 390 F CB 0.828 39.442 39.000 -0.643 0.000 1.335 390 F HN 0.599 nan 8.300 nan 0.000 0.457 391 G N 1.671 110.432 108.800 -0.064 0.000 2.448 391 G HA2 0.426 4.386 3.960 -0.000 0.000 0.285 391 G HA3 0.426 4.386 3.960 -0.000 0.000 0.285 391 G C -0.480 174.435 174.900 0.025 0.000 1.176 391 G CA -0.488 44.618 45.100 0.010 0.000 0.852 391 G HN 0.267 nan 8.290 nan 0.000 0.530 392 F N 0.324 120.381 119.950 0.178 0.000 2.646 392 F HA 0.285 4.812 4.527 -0.000 0.000 0.363 392 F C 1.687 177.560 175.800 0.122 0.000 1.143 392 F CA 1.731 59.831 58.000 0.166 0.000 1.356 392 F CB 0.600 39.724 39.000 0.208 0.000 1.055 392 F HN 0.856 nan 8.300 nan 0.000 0.606 393 G N 0.858 109.830 108.800 0.287 0.000 2.141 393 G HA2 0.055 4.015 3.960 -0.000 0.000 0.242 393 G HA3 0.055 4.015 3.960 -0.000 0.000 0.242 393 G C 0.816 175.783 174.900 0.112 0.000 0.982 393 G CA 0.146 45.349 45.100 0.171 0.000 0.662 393 G HN 1.934 nan 8.290 nan 0.000 0.527 394 G N -1.215 107.643 108.800 0.095 0.000 2.273 394 G HA2 0.100 4.060 3.960 -0.000 0.000 0.280 394 G HA3 0.100 4.060 3.960 -0.000 0.000 0.280 394 G C 0.360 175.289 174.900 0.048 0.000 1.047 394 G CA 1.443 46.569 45.100 0.043 0.000 0.869 394 G HN 2.053 nan 8.290 nan 0.000 0.502 395 T N 0.030 114.639 114.554 0.092 0.000 2.797 395 T HA 0.610 4.960 4.350 -0.000 0.000 0.279 395 T C -0.213 174.608 174.700 0.201 0.000 0.991 395 T CA -0.683 61.506 62.100 0.148 0.000 0.979 395 T CB 0.581 69.561 68.868 0.186 0.000 0.943 395 T HN 0.266 nan 8.240 nan 0.000 0.444 396 N N 2.698 121.534 118.700 0.226 0.000 2.269 396 N HA 0.737 5.477 4.740 -0.000 0.000 0.304 396 N C -1.256 174.368 175.510 0.189 0.000 1.072 396 N CA -0.580 52.625 53.050 0.259 0.000 0.802 396 N CB 2.080 40.646 38.487 0.131 0.000 1.348 396 N HN 0.799 nan 8.380 nan 0.000 0.484 397 A N 0.751 123.605 122.820 0.057 0.000 2.455 397 A HA 0.769 5.089 4.320 -0.000 0.000 0.300 397 A C -0.854 176.720 177.584 -0.015 0.000 1.040 397 A CA -0.499 51.483 52.037 -0.091 0.000 0.697 397 A CB 1.314 20.008 19.000 -0.511 0.000 1.265 397 A HN 0.443 nan 8.150 nan 0.000 0.407 398 T N 2.234 116.823 114.554 0.060 0.000 2.886 398 T HA 0.615 4.965 4.350 -0.000 0.000 0.292 398 T C -0.828 173.935 174.700 0.105 0.000 1.012 398 T CA -0.261 61.868 62.100 0.048 0.000 0.982 398 T CB 0.970 69.893 68.868 0.092 0.000 1.018 398 T HN 0.502 nan 8.240 nan 0.000 0.451 399 L N 2.585 123.838 121.223 0.050 0.000 2.346 399 L HA 0.797 5.137 4.340 -0.000 0.000 0.276 399 L C -0.814 176.081 176.870 0.042 0.000 1.006 399 L CA -1.146 53.731 54.840 0.062 0.000 0.817 399 L CB 2.019 44.076 42.059 -0.003 0.000 1.272 399 L HN 0.330 nan 8.230 nan 0.000 0.421 400 V N 3.659 123.607 119.914 0.057 0.000 2.487 400 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 400 V C -0.214 175.902 176.094 0.037 0.000 1.028 400 V CA -0.389 61.940 62.300 0.048 0.000 0.860 400 V CB 1.853 33.714 31.823 0.063 0.000 0.991 400 V HN 0.709 nan 8.190 nan 0.000 0.427 401 M N 5.031 124.649 119.600 0.029 0.000 2.393 401 M HA 0.690 5.169 4.480 -0.000 0.000 0.316 401 M C -0.571 175.747 176.300 0.029 0.000 1.087 401 M CA -0.388 54.925 55.300 0.022 0.000 0.937 401 M CB 2.553 35.161 32.600 0.013 0.000 1.668 401 M HN 0.575 nan 8.290 nan 0.000 0.438 402 R N 1.363 121.877 120.500 0.023 0.000 2.651 402 R HA 0.456 4.795 4.340 -0.000 0.000 0.278 402 R C -1.161 175.147 176.300 0.013 0.000 1.010 402 R CA -0.808 55.305 56.100 0.022 0.000 0.896 402 R CB 1.939 32.251 30.300 0.020 0.000 1.211 402 R HN 0.662 nan 8.270 nan 0.000 0.456 403 K N 2.484 122.891 120.400 0.012 0.000 2.527 403 K HA -0.053 4.267 4.320 -0.000 0.000 0.278 403 K C 0.231 176.826 176.600 -0.008 0.000 0.981 403 K CA 0.025 56.312 56.287 -0.000 0.000 1.009 403 K CB 0.370 32.870 32.500 -0.001 0.000 0.895 403 K HN 0.275 nan 8.250 nan 0.000 0.493 404 L N 0.000 121.210 121.223 -0.021 0.000 2.949 404 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 404 L CA 0.000 54.827 54.840 -0.023 0.000 0.813 404 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 404 L HN 0.000 nan 8.230 nan 0.000 0.502