REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1f91_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.609 32.600 0.016 0.000 1.302 2 K N 2.289 122.697 120.400 0.012 0.000 2.319 2 K HA 0.386 4.706 4.320 -0.000 0.000 0.265 2 K C -0.385 176.219 176.600 0.007 0.000 1.000 2 K CA -0.168 56.124 56.287 0.008 0.000 0.943 2 K CB 0.502 33.004 32.500 0.004 0.000 0.950 2 K HN 0.293 nan 8.250 nan 0.000 0.485 3 R N 0.637 121.140 120.500 0.004 0.000 2.500 3 R HA 0.391 4.731 4.340 -0.000 0.000 0.277 3 R C -0.663 175.632 176.300 -0.009 0.000 1.026 3 R CA -0.724 55.377 56.100 0.002 0.000 1.058 3 R CB 1.152 31.453 30.300 0.002 0.000 1.078 3 R HN 0.237 nan 8.270 nan 0.000 0.509 4 V N 2.823 122.729 119.914 -0.014 0.000 2.656 4 V HA 0.496 4.616 4.120 -0.000 0.000 0.307 4 V C -0.191 175.883 176.094 -0.033 0.000 1.051 4 V CA -0.763 61.519 62.300 -0.031 0.000 0.893 4 V CB 1.804 33.602 31.823 -0.042 0.000 0.999 4 V HN 0.641 nan 8.190 nan 0.000 0.426 5 V N 1.837 121.725 119.914 -0.043 0.000 3.141 5 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 5 V C -0.766 175.297 176.094 -0.051 0.000 1.157 5 V CA -0.987 61.289 62.300 -0.040 0.000 1.041 5 V CB 2.404 34.206 31.823 -0.035 0.000 1.071 5 V HN 0.661 nan 8.190 nan 0.000 0.441 6 I N 1.840 122.392 120.570 -0.029 0.000 2.355 6 I HA 0.453 4.623 4.170 -0.000 0.000 0.288 6 I C 0.847 177.006 176.117 0.070 0.000 0.999 6 I CA -0.049 61.237 61.300 -0.023 0.000 1.163 6 I CB 2.184 40.154 38.000 -0.049 0.000 1.316 6 I HN 0.983 nan 8.210 nan 0.000 0.454 7 T N 0.827 115.410 114.554 0.048 0.000 3.129 7 T HA 0.500 4.850 4.350 -0.000 0.000 0.267 7 T C 0.325 175.147 174.700 0.205 0.000 1.018 7 T CA -0.419 61.737 62.100 0.093 0.000 0.903 7 T CB 0.307 69.182 68.868 0.011 0.000 1.067 7 T HN 0.743 nan 8.240 nan 0.000 0.549 8 G N 1.321 110.240 108.800 0.199 0.000 2.556 8 G HA2 0.531 4.491 3.960 -0.000 0.000 0.294 8 G HA3 0.531 4.491 3.960 -0.000 0.000 0.294 8 G C -2.135 172.749 174.900 -0.027 0.000 1.516 8 G CA -0.856 44.352 45.100 0.180 0.000 0.824 8 G HN 0.737 nan 8.290 nan 0.000 0.535 9 L N -1.347 119.844 121.223 -0.053 0.000 2.518 9 L HA 1.042 5.382 4.340 -0.000 0.000 0.257 9 L C -0.093 176.735 176.870 -0.071 0.000 0.980 9 L CA -0.745 54.014 54.840 -0.135 0.000 0.837 9 L CB 1.757 43.639 42.059 -0.296 0.000 1.410 9 L HN 1.330 nan 8.230 nan 0.000 0.410 10 G N 1.010 109.762 108.800 -0.080 0.000 2.667 10 G HA2 0.818 4.778 3.960 -0.000 0.000 0.298 10 G HA3 0.818 4.778 3.960 -0.000 0.000 0.298 10 G C -1.949 172.914 174.900 -0.062 0.000 1.377 10 G CA -0.733 44.334 45.100 -0.056 0.000 0.964 10 G HN 1.041 nan 8.290 nan 0.000 0.493 11 I N 0.360 120.907 120.570 -0.038 0.000 2.828 11 I HA 0.576 4.746 4.170 -0.000 0.000 0.295 11 I C -1.622 174.481 176.117 -0.024 0.000 1.459 11 I CA -0.901 60.373 61.300 -0.044 0.000 1.015 11 I CB 2.329 40.295 38.000 -0.056 0.000 1.345 11 I HN 0.374 nan 8.210 nan 0.000 0.449 12 V N 6.136 126.021 119.914 -0.049 0.000 2.445 12 V HA 0.547 4.667 4.120 -0.000 0.000 0.283 12 V C -0.358 175.646 176.094 -0.150 0.000 1.014 12 V CA -0.159 62.092 62.300 -0.082 0.000 0.852 12 V CB 1.430 33.206 31.823 -0.078 0.000 1.021 12 V HN 0.847 nan 8.190 nan 0.000 0.435 13 S N 2.306 117.948 115.700 -0.097 0.000 2.806 13 S HA 0.474 4.944 4.470 -0.000 0.000 0.306 13 S C 1.177 175.722 174.600 -0.091 0.000 1.167 13 S CA 0.076 58.222 58.200 -0.091 0.000 0.847 13 S CB 1.690 64.918 63.200 0.047 0.000 1.216 13 S HN 0.856 nan 8.310 nan 0.000 0.532 14 S N 0.350 116.004 115.700 -0.078 0.000 2.442 14 S HA -0.080 4.390 4.470 -0.000 0.000 0.236 14 S C 1.399 175.974 174.600 -0.041 0.000 1.007 14 S CA 1.095 59.251 58.200 -0.073 0.000 0.965 14 S CB -1.140 62.028 63.200 -0.054 0.000 0.773 14 S HN 0.994 nan 8.310 nan 0.000 0.504 15 I N -2.510 118.043 120.570 -0.027 0.000 3.927 15 I HA 0.686 4.856 4.170 -0.000 0.000 0.332 15 I C 0.503 176.607 176.117 -0.023 0.000 1.485 15 I CA -0.469 60.809 61.300 -0.036 0.000 1.131 15 I CB 0.244 38.196 38.000 -0.080 0.000 1.092 15 I HN 0.272 nan 8.210 nan 0.000 0.410 16 G N 1.106 109.899 108.800 -0.012 0.000 2.378 16 G HA2 0.045 4.005 3.960 -0.000 0.000 0.302 16 G HA3 0.045 4.005 3.960 -0.000 0.000 0.302 16 G C -0.869 174.028 174.900 -0.005 0.000 1.669 16 G CA -0.656 44.442 45.100 -0.004 0.000 0.920 16 G HN 0.019 nan 8.290 nan 0.000 0.697 17 N N 0.190 118.887 118.700 -0.004 0.000 2.270 17 N HA 0.120 4.860 4.740 -0.000 0.000 0.198 17 N C 0.282 175.798 175.510 0.010 0.000 1.117 17 N CA 0.552 53.600 53.050 -0.003 0.000 0.845 17 N CB 0.350 38.838 38.487 0.003 0.000 0.980 17 N HN 0.830 nan 8.380 nan 0.000 0.486 18 N N -1.793 116.916 118.700 0.015 0.000 3.185 18 N HA -0.026 4.714 4.740 -0.000 0.000 0.238 18 N C 0.410 175.939 175.510 0.032 0.000 1.451 18 N CA -0.695 52.368 53.050 0.022 0.000 0.888 18 N CB 0.559 39.059 38.487 0.023 0.000 1.413 18 N HN -0.155 nan 8.380 nan 0.000 0.511 19 Q N -0.871 118.953 119.800 0.040 0.000 2.234 19 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 19 Q C 0.723 176.750 176.000 0.044 0.000 0.980 19 Q CA 1.623 57.461 55.803 0.058 0.000 0.869 19 Q CB -0.350 28.434 28.738 0.077 0.000 0.912 19 Q HN 0.664 nan 8.270 nan 0.000 0.436 20 Q N 1.372 121.189 119.800 0.029 0.000 2.016 20 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 20 Q C 1.911 177.901 176.000 -0.017 0.000 0.978 20 Q CA 2.003 57.806 55.803 0.000 0.000 0.833 20 Q CB -0.047 28.694 28.738 0.004 0.000 0.895 20 Q HN 0.540 nan 8.270 nan 0.000 0.427 21 E N -0.214 119.982 120.200 -0.006 0.000 2.110 21 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 21 E C 1.983 178.573 176.600 -0.017 0.000 0.988 21 E CA 1.249 57.641 56.400 -0.015 0.000 0.804 21 E CB -0.042 29.654 29.700 -0.007 0.000 0.745 21 E HN 0.120 nan 8.360 nan 0.000 0.458 22 V N 1.405 121.324 119.914 0.009 0.000 2.358 22 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 22 V C 2.257 178.350 176.094 -0.001 0.000 1.047 22 V CA 1.239 63.552 62.300 0.022 0.000 1.035 22 V CB -0.338 31.555 31.823 0.117 0.000 0.658 22 V HN 0.232 nan 8.190 nan 0.000 0.452 23 L N 0.962 122.183 121.223 -0.003 0.000 2.042 23 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 23 L C 2.408 179.209 176.870 -0.114 0.000 1.076 23 L CA 2.458 57.273 54.840 -0.041 0.000 0.749 23 L CB -1.044 40.930 42.059 -0.142 0.000 0.893 23 L HN 0.232 nan 8.230 nan 0.000 0.432 24 A N -1.332 121.422 122.820 -0.110 0.000 1.845 24 A HA -0.202 4.118 4.320 -0.000 0.000 0.215 24 A C 2.360 179.876 177.584 -0.113 0.000 1.195 24 A CA 2.099 54.061 52.037 -0.125 0.000 0.616 24 A CB -1.221 17.727 19.000 -0.088 0.000 0.832 24 A HN 0.517 nan 8.150 nan 0.000 0.443 25 S N 0.074 115.725 115.700 -0.082 0.000 2.372 25 S HA -0.210 4.260 4.470 -0.000 0.000 0.227 25 S C 1.859 176.408 174.600 -0.086 0.000 1.044 25 S CA 1.787 59.939 58.200 -0.080 0.000 1.050 25 S CB -0.656 62.496 63.200 -0.081 0.000 0.901 25 S HN 0.475 nan 8.310 nan 0.000 0.447 26 L N 0.549 121.727 121.223 -0.074 0.000 2.012 26 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 26 L C 2.787 179.670 176.870 0.022 0.000 1.073 26 L CA 1.428 56.268 54.840 -0.000 0.000 0.748 26 L CB -0.471 41.675 42.059 0.144 0.000 0.891 26 L HN 0.221 nan 8.230 nan 0.000 0.431 27 R N 0.036 120.427 120.500 -0.182 0.000 2.096 27 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 27 R C 1.921 178.112 176.300 -0.182 0.000 1.127 27 R CA 1.408 57.274 56.100 -0.391 0.000 0.968 27 R CB -0.042 29.909 30.300 -0.582 0.000 0.861 27 R HN 0.445 nan 8.270 nan 0.000 0.440 28 E N -1.123 118.999 120.200 -0.129 0.000 2.474 28 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 28 E C 0.483 177.051 176.600 -0.053 0.000 1.041 28 E CA 0.302 56.651 56.400 -0.085 0.000 0.874 28 E CB 0.704 30.357 29.700 -0.078 0.000 0.914 28 E HN 0.469 nan 8.360 nan 0.000 0.498 29 G N 2.886 111.659 108.800 -0.045 0.000 2.295 29 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.287 29 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.287 29 G C 0.009 174.887 174.900 -0.037 0.000 1.055 29 G CA 0.571 45.651 45.100 -0.032 0.000 0.922 29 G HN 0.210 nan 8.290 nan 0.000 0.503 30 R N 0.000 120.472 120.500 -0.047 0.000 2.357 30 R HA 0.554 4.894 4.340 -0.000 0.000 0.296 30 R C 0.728 177.004 176.300 -0.040 0.000 1.052 30 R CA 0.163 56.240 56.100 -0.038 0.000 0.988 30 R CB 0.724 31.000 30.300 -0.039 0.000 1.025 30 R HN 0.276 nan 8.270 nan 0.000 0.469 31 S N 1.664 117.350 115.700 -0.023 0.000 2.584 31 S HA 0.316 4.786 4.470 -0.000 0.000 0.273 31 S C 0.803 175.401 174.600 -0.003 0.000 1.311 31 S CA -0.286 57.905 58.200 -0.015 0.000 1.034 31 S CB 1.358 64.558 63.200 -0.001 0.000 0.939 31 S HN 0.791 nan 8.310 nan 0.000 0.513 32 G N 3.403 112.203 108.800 -0.000 0.000 3.277 32 G HA2 0.223 4.183 3.960 -0.000 0.000 0.243 32 G HA3 0.223 4.183 3.960 -0.000 0.000 0.243 32 G C 0.150 175.079 174.900 0.050 0.000 1.107 32 G CA -0.257 44.849 45.100 0.010 0.000 0.771 32 G HN 0.614 nan 8.290 nan 0.000 0.544 33 I N 2.767 123.379 120.570 0.071 0.000 2.441 33 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 33 I C 0.758 176.974 176.117 0.166 0.000 1.049 33 I CA -0.202 61.176 61.300 0.130 0.000 1.381 33 I CB 0.257 38.322 38.000 0.108 0.000 1.409 33 I HN 0.088 nan 8.210 nan 0.000 0.523 34 T N 2.718 117.428 114.554 0.260 0.000 2.804 34 T HA 0.553 4.903 4.350 -0.000 0.000 0.290 34 T C -0.589 174.270 174.700 0.265 0.000 1.099 34 T CA -0.741 61.517 62.100 0.263 0.000 1.011 34 T CB 1.715 70.751 68.868 0.281 0.000 1.291 34 T HN 0.207 nan 8.240 nan 0.000 0.523 35 F N 1.580 121.579 119.950 0.082 0.000 2.412 35 F HA 0.594 5.121 4.527 -0.000 0.000 0.348 35 F C 0.444 176.158 175.800 -0.144 0.000 1.102 35 F CA -0.286 57.704 58.000 -0.017 0.000 1.196 35 F CB 1.149 40.148 39.000 -0.001 0.000 1.144 35 F HN 0.669 nan 8.300 nan 0.000 0.541 36 S N 5.006 119.977 115.700 -1.214 0.000 2.520 36 S HA 0.182 4.652 4.470 -0.000 0.000 0.324 36 S C 0.624 174.477 174.600 -1.246 0.000 1.069 36 S CA -0.677 56.718 58.200 -1.342 0.000 1.121 36 S CB 1.173 63.006 63.200 -2.278 0.000 0.971 36 S HN 0.879 nan 8.310 nan 0.000 0.463 37 Q N 3.596 123.008 119.800 -0.647 0.000 2.124 37 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 37 Q C 1.776 177.551 176.000 -0.375 0.000 0.977 37 Q CA 2.292 57.890 55.803 -0.342 0.000 0.850 37 Q CB -0.261 28.457 28.738 -0.033 0.000 0.901 37 Q HN 0.919 nan 8.270 nan 0.000 0.429 38 E N -0.539 119.446 120.200 -0.359 0.000 2.058 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 38 E C 1.868 178.288 176.600 -0.300 0.000 0.997 38 E CA 1.372 57.632 56.400 -0.234 0.000 0.801 38 E CB -0.194 29.481 29.700 -0.042 0.000 0.746 38 E HN 0.447 nan 8.360 nan 0.000 0.450 39 L N 0.583 121.519 121.223 -0.478 0.000 2.046 39 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 39 L C 2.869 179.538 176.870 -0.335 0.000 1.077 39 L CA 1.511 56.158 54.840 -0.322 0.000 0.747 39 L CB -0.588 41.242 42.059 -0.381 0.000 0.896 39 L HN 0.179 nan 8.230 nan 0.000 0.432 40 K N 0.288 120.342 120.400 -0.577 0.000 2.026 40 K HA -0.205 4.114 4.320 -0.000 0.000 0.208 40 K C 1.652 178.026 176.600 -0.376 0.000 1.048 40 K CA 1.826 57.685 56.287 -0.713 0.000 0.929 40 K CB 0.005 32.025 32.500 -0.800 0.000 0.713 40 K HN 0.237 nan 8.250 nan 0.000 0.439 41 D N 0.254 120.467 120.400 -0.311 0.000 2.218 41 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 41 D C 1.914 178.030 176.300 -0.305 0.000 0.976 41 D CA 1.443 55.293 54.000 -0.250 0.000 0.853 41 D CB -0.129 40.543 40.800 -0.214 0.000 0.939 41 D HN 0.355 nan 8.370 nan 0.000 0.481 42 S N -0.670 114.807 115.700 -0.372 0.000 2.474 42 S HA 0.083 4.553 4.470 -0.000 0.000 0.235 42 S C 1.788 176.209 174.600 -0.299 0.000 0.997 42 S CA 1.128 59.017 58.200 -0.518 0.000 0.949 42 S CB 0.117 63.014 63.200 -0.505 0.000 0.766 42 S HN 0.335 nan 8.310 nan 0.000 0.517 43 G N 0.405 109.099 108.800 -0.177 0.000 2.163 43 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.213 43 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.213 43 G C 0.007 174.908 174.900 0.002 0.000 0.991 43 G CA 0.026 45.077 45.100 -0.083 0.000 0.653 43 G HN 0.473 nan 8.290 nan 0.000 0.518 44 M N -0.422 119.195 119.600 0.028 0.000 2.198 44 M HA 0.420 4.900 4.480 -0.000 0.000 0.315 44 M C 1.852 178.257 176.300 0.176 0.000 1.134 44 M CA 0.089 55.449 55.300 0.099 0.000 1.171 44 M CB 0.527 33.193 32.600 0.110 0.000 1.413 44 M HN 0.152 nan 8.290 nan 0.000 0.467 45 R N -0.436 120.109 120.500 0.075 0.000 2.189 45 R HA 0.114 4.454 4.340 -0.000 0.000 0.203 45 R C 0.439 176.591 176.300 -0.247 0.000 1.012 45 R CA 0.186 56.255 56.100 -0.051 0.000 1.015 45 R CB 0.279 30.551 30.300 -0.046 0.000 0.938 45 R HN 0.565 nan 8.270 nan 0.000 0.472 46 S N 0.417 116.072 115.700 -0.075 0.000 2.465 46 S HA 0.118 4.588 4.470 -0.000 0.000 0.279 46 S C -0.057 174.564 174.600 0.035 0.000 1.201 46 S CA -0.508 57.641 58.200 -0.085 0.000 1.053 46 S CB 0.317 63.497 63.200 -0.033 0.000 0.953 46 S HN 0.341 nan 8.310 nan 0.000 0.488 47 H N 2.762 121.766 119.070 -0.110 0.000 2.512 47 H HA 0.318 4.874 4.556 -0.000 0.000 0.276 47 H C 0.054 175.144 175.328 -0.397 0.000 1.126 47 H CA -0.591 55.272 56.048 -0.308 0.000 1.060 47 H CB 0.572 30.200 29.762 -0.223 0.000 1.646 47 H HN 0.462 nan 8.280 nan 0.000 0.571 48 V N -1.703 118.158 119.914 -0.087 0.000 2.960 48 V HA 0.652 4.772 4.120 -0.000 0.000 0.315 48 V C -1.275 174.887 176.094 0.112 0.000 1.087 48 V CA -0.897 61.389 62.300 -0.025 0.000 0.982 48 V CB 2.242 34.126 31.823 0.102 0.000 1.039 48 V HN 0.400 nan 8.190 nan 0.000 0.437 49 W N 0.773 122.085 121.300 0.019 0.000 3.059 49 W HA 0.784 5.444 4.660 -0.000 0.000 0.329 49 W C -0.462 176.073 176.519 0.027 0.000 1.246 49 W CA -1.601 55.759 57.345 0.024 0.000 1.190 49 W CB 0.741 30.211 29.460 0.017 0.000 1.423 49 W HN 1.055 nan 8.180 nan 0.000 0.571 50 G N 2.195 111.092 108.800 0.163 0.000 2.741 50 G HA2 0.425 4.385 3.960 -0.000 0.000 0.336 50 G HA3 0.425 4.385 3.960 -0.000 0.000 0.336 50 G C -0.464 174.294 174.900 -0.236 0.000 1.022 50 G CA -0.842 44.257 45.100 -0.001 0.000 1.193 50 G HN 0.619 nan 8.290 nan 0.000 0.455 51 N N 0.231 118.702 118.700 -0.381 0.000 2.495 51 N HA 0.445 5.185 4.740 -0.000 0.000 0.280 51 N C -0.510 174.814 175.510 -0.309 0.000 1.168 51 N CA -0.950 51.762 53.050 -0.563 0.000 0.978 51 N CB 2.130 40.150 38.487 -0.779 0.000 1.191 51 N HN 0.004 nan 8.380 nan 0.000 0.497 52 V N 1.590 121.307 119.914 -0.328 0.000 2.427 52 V HA 0.039 4.159 4.120 -0.000 0.000 0.268 52 V C 0.295 176.309 176.094 -0.133 0.000 1.046 52 V CA -0.385 61.758 62.300 -0.261 0.000 0.970 52 V CB 0.463 32.035 31.823 -0.417 0.000 1.001 52 V HN 0.680 nan 8.190 nan 0.000 0.476 53 K N 6.006 126.357 120.400 -0.082 0.000 2.307 53 K HA 0.422 4.742 4.320 -0.000 0.000 0.240 53 K C -0.807 175.788 176.600 -0.008 0.000 1.214 53 K CA -0.228 56.043 56.287 -0.026 0.000 1.149 53 K CB 0.115 32.609 32.500 -0.010 0.000 1.668 53 K HN 0.438 nan 8.250 nan 0.000 0.314 54 L N 0.439 121.665 121.223 0.006 0.000 2.549 54 L HA 0.298 4.638 4.340 -0.000 0.000 0.259 54 L C -1.822 175.080 176.870 0.052 0.000 0.934 54 L CA -0.542 54.316 54.840 0.029 0.000 0.865 54 L CB 2.280 44.358 42.059 0.031 0.000 1.352 54 L HN 0.153 nan 8.230 nan 0.000 0.410 55 D N 1.678 122.106 120.400 0.047 0.000 2.347 55 D HA 0.324 4.964 4.640 -0.000 0.000 0.235 55 D C 1.004 177.333 176.300 0.048 0.000 1.149 55 D CA 0.512 54.539 54.000 0.046 0.000 0.850 55 D CB 1.373 42.194 40.800 0.035 0.000 1.061 55 D HN 0.701 nan 8.370 nan 0.000 0.487 56 T N -0.081 114.506 114.554 0.055 0.000 3.088 56 T HA -0.014 4.336 4.350 -0.000 0.000 0.259 56 T C 0.882 175.590 174.700 0.013 0.000 1.122 56 T CA -0.151 61.977 62.100 0.047 0.000 1.095 56 T CB -0.531 68.366 68.868 0.048 0.000 0.930 56 T HN 0.320 nan 8.240 nan 0.000 0.508 57 T N 2.465 117.024 114.554 0.007 0.000 2.867 57 T HA 0.330 4.680 4.350 -0.000 0.000 0.290 57 T C 1.591 176.285 174.700 -0.010 0.000 1.025 57 T CA 0.923 63.018 62.100 -0.009 0.000 1.146 57 T CB -0.222 68.645 68.868 -0.002 0.000 1.024 57 T HN 0.753 nan 8.240 nan 0.000 0.519 58 G N 2.558 111.341 108.800 -0.028 0.000 2.186 58 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.266 58 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.266 58 G C 0.809 175.701 174.900 -0.014 0.000 0.982 58 G CA 0.485 45.569 45.100 -0.026 0.000 0.670 58 G HN 0.724 nan 8.290 nan 0.000 0.533 59 L N -0.580 120.640 121.223 -0.005 0.000 2.492 59 L HA 0.379 4.719 4.340 -0.000 0.000 0.223 59 L C 1.117 178.001 176.870 0.023 0.000 1.132 59 L CA 0.584 55.440 54.840 0.026 0.000 0.850 59 L CB -0.006 42.086 42.059 0.055 0.000 0.966 59 L HN 0.296 nan 8.230 nan 0.000 0.454 60 I N -1.186 119.351 120.570 -0.054 0.000 2.647 60 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 60 I C -0.560 175.466 176.117 -0.151 0.000 1.078 60 I CA -0.960 60.255 61.300 -0.142 0.000 1.048 60 I CB 2.390 40.187 38.000 -0.340 0.000 1.239 60 I HN -0.199 nan 8.210 nan 0.000 0.421 61 D N 3.873 124.186 120.400 -0.145 0.000 2.525 61 D HA 0.014 4.654 4.640 -0.000 0.000 0.235 61 D C 1.318 177.524 176.300 -0.156 0.000 1.137 61 D CA 0.454 54.381 54.000 -0.121 0.000 0.868 61 D CB 1.000 41.742 40.800 -0.097 0.000 1.180 61 D HN 0.395 nan 8.370 nan 0.000 0.465 62 R N 2.697 123.118 120.500 -0.132 0.000 2.103 62 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 62 R C 1.642 177.823 176.300 -0.198 0.000 1.142 62 R CA 0.946 56.950 56.100 -0.161 0.000 0.960 62 R CB -0.140 30.084 30.300 -0.126 0.000 0.858 62 R HN 0.425 nan 8.270 nan 0.000 0.439 63 K N 0.410 120.722 120.400 -0.147 0.000 2.211 63 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 63 K C 2.030 178.572 176.600 -0.097 0.000 1.050 63 K CA 0.819 57.029 56.287 -0.127 0.000 0.945 63 K CB -0.041 32.428 32.500 -0.050 0.000 0.732 63 K HN 0.100 nan 8.250 nan 0.000 0.451 64 V N 0.107 119.948 119.914 -0.121 0.000 2.492 64 V HA -0.057 4.063 4.120 -0.000 0.000 0.241 64 V C 2.157 178.152 176.094 -0.166 0.000 1.041 64 V CA 0.751 62.991 62.300 -0.101 0.000 1.057 64 V CB 0.030 31.716 31.823 -0.228 0.000 0.711 64 V HN -0.016 nan 8.190 nan 0.000 0.468 65 V N 2.355 122.102 119.914 -0.278 0.000 2.913 65 V HA -0.197 3.923 4.120 -0.000 0.000 0.260 65 V C 2.681 178.577 176.094 -0.331 0.000 1.098 65 V CA 2.062 64.181 62.300 -0.302 0.000 1.121 65 V CB -0.680 30.974 31.823 -0.281 0.000 0.714 65 V HN 0.718 nan 8.190 nan 0.000 0.487 66 R N -1.128 119.097 120.500 -0.459 0.000 2.237 66 R HA -0.089 4.251 4.340 -0.000 0.000 0.219 66 R C 1.754 177.564 176.300 -0.818 0.000 1.080 66 R CA 1.934 57.585 56.100 -0.749 0.000 0.995 66 R CB -0.644 28.974 30.300 -1.137 0.000 0.875 66 R HN 0.513 nan 8.270 nan 0.000 0.462 67 F N 0.847 120.559 119.950 -0.398 0.000 2.776 67 F HA 0.334 4.861 4.527 -0.000 0.000 0.300 67 F C 0.879 176.527 175.800 -0.253 0.000 1.116 67 F CA -0.338 57.514 58.000 -0.248 0.000 1.375 67 F CB 0.237 39.148 39.000 -0.148 0.000 1.109 67 F HN -0.121 nan 8.300 nan 0.000 0.585 68 M N -0.041 119.470 119.600 -0.148 0.000 2.367 68 M HA 0.323 4.803 4.480 -0.000 0.000 0.339 68 M C 0.393 176.515 176.300 -0.297 0.000 1.177 68 M CA -0.605 54.583 55.300 -0.188 0.000 1.068 68 M CB 1.544 34.034 32.600 -0.183 0.000 1.602 68 M HN -0.035 nan 8.290 nan 0.000 0.457 69 S N -0.418 115.150 115.700 -0.220 0.000 2.745 69 S HA 0.362 4.832 4.470 -0.000 0.000 0.292 69 S C 0.273 174.796 174.600 -0.129 0.000 1.133 69 S CA -0.861 57.257 58.200 -0.137 0.000 0.998 69 S CB 1.156 64.351 63.200 -0.008 0.000 1.087 69 S HN 0.670 nan 8.310 nan 0.000 0.551 70 D N 1.076 121.405 120.400 -0.117 0.000 2.149 70 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 70 D C 2.195 178.158 176.300 -0.562 0.000 0.990 70 D CA 1.746 55.484 54.000 -0.437 0.000 0.839 70 D CB -0.872 39.677 40.800 -0.418 0.000 0.948 70 D HN 0.681 nan 8.370 nan 0.000 0.460 71 A N 0.667 123.372 122.820 -0.193 0.000 1.908 71 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 71 A C 2.469 180.039 177.584 -0.023 0.000 1.181 71 A CA 2.038 54.059 52.037 -0.027 0.000 0.627 71 A CB -0.597 18.429 19.000 0.043 0.000 0.818 71 A HN 0.182 nan 8.150 nan 0.000 0.445 72 S N -0.368 115.302 115.700 -0.051 0.000 2.383 72 S HA -0.068 4.402 4.470 -0.000 0.000 0.227 72 S C 1.788 176.399 174.600 0.019 0.000 1.026 72 S CA 1.333 59.535 58.200 0.003 0.000 0.981 72 S CB -0.456 62.732 63.200 -0.020 0.000 0.818 72 S HN 0.543 nan 8.310 nan 0.000 0.472 73 I N 0.382 120.878 120.570 -0.123 0.000 2.179 73 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 73 I C 2.043 178.207 176.117 0.078 0.000 1.088 73 I CA 1.279 62.520 61.300 -0.099 0.000 1.357 73 I CB -0.405 37.441 38.000 -0.258 0.000 1.051 73 I HN 0.254 nan 8.210 nan 0.000 0.409 74 Y N 0.812 121.153 120.300 0.069 0.000 2.181 74 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 74 Y C 2.670 178.609 175.900 0.066 0.000 1.146 74 Y CA 0.750 58.882 58.100 0.054 0.000 1.164 74 Y CB -1.383 37.086 38.460 0.016 0.000 0.982 74 Y HN 0.115 nan 8.280 nan 0.000 0.515 75 A N -0.391 122.567 122.820 0.230 0.000 1.902 75 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 75 A C 2.216 179.883 177.584 0.139 0.000 1.181 75 A CA 1.404 53.524 52.037 0.138 0.000 0.623 75 A CB -1.368 17.695 19.000 0.105 0.000 0.818 75 A HN 0.442 nan 8.150 nan 0.000 0.443 76 F N 0.592 120.583 119.950 0.070 0.000 2.102 76 F HA -0.159 4.368 4.527 0.000 0.000 0.298 76 F C 1.947 177.817 175.800 0.116 0.000 1.105 76 F CA 1.837 59.910 58.000 0.122 0.000 1.239 76 F CB -0.199 38.861 39.000 0.101 0.000 0.991 76 F HN 0.141 nan 8.300 nan 0.000 0.474 77 L N -0.653 120.769 121.223 0.332 0.000 2.083 77 L HA -0.243 4.097 4.340 -0.000 0.000 0.209 77 L C 2.486 179.383 176.870 0.045 0.000 1.083 77 L CA 1.460 56.422 54.840 0.203 0.000 0.752 77 L CB -0.891 41.300 42.059 0.220 0.000 0.899 77 L HN 0.090 nan 8.230 nan 0.000 0.433 78 S N -0.592 115.127 115.700 0.032 0.000 2.402 78 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 78 S C 1.892 176.421 174.600 -0.118 0.000 1.021 78 S CA 1.314 59.496 58.200 -0.030 0.000 0.974 78 S CB -0.150 63.038 63.200 -0.019 0.000 0.800 78 S HN 0.355 nan 8.310 nan 0.000 0.484 79 M N 1.265 120.734 119.600 -0.218 0.000 2.200 79 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 79 M C 1.953 177.971 176.300 -0.471 0.000 1.066 79 M CA 1.320 56.359 55.300 -0.436 0.000 1.127 79 M CB -0.112 32.041 32.600 -0.745 0.000 1.379 79 M HN 0.233 nan 8.290 nan 0.000 0.420 80 E N -0.075 119.916 120.200 -0.349 0.000 2.058 80 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 80 E C 2.020 178.548 176.600 -0.120 0.000 0.997 80 E CA 1.652 57.936 56.400 -0.193 0.000 0.801 80 E CB -0.199 29.462 29.700 -0.064 0.000 0.746 80 E HN 0.660 nan 8.360 nan 0.000 0.450 81 Q N 0.068 119.818 119.800 -0.084 0.000 2.050 81 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 81 Q C 2.243 178.220 176.000 -0.039 0.000 0.980 81 Q CA 1.425 57.206 55.803 -0.036 0.000 0.840 81 Q CB -0.190 28.537 28.738 -0.019 0.000 0.898 81 Q HN 0.241 nan 8.270 nan 0.000 0.424 82 A N 0.735 123.510 122.820 -0.076 0.000 1.933 82 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 82 A C 2.013 179.586 177.584 -0.019 0.000 1.175 82 A CA 1.084 53.097 52.037 -0.040 0.000 0.628 82 A CB -0.591 18.382 19.000 -0.044 0.000 0.814 82 A HN 0.308 nan 8.150 nan 0.000 0.444 83 I N -0.393 120.111 120.570 -0.109 0.000 2.179 83 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 83 I C 2.980 179.093 176.117 -0.006 0.000 1.088 83 I CA 1.089 62.324 61.300 -0.108 0.000 1.357 83 I CB -0.343 37.456 38.000 -0.336 0.000 1.051 83 I HN 0.367 nan 8.210 nan 0.000 0.409 84 A N 0.286 123.105 122.820 -0.002 0.000 1.898 84 A HA -0.286 4.034 4.320 -0.000 0.000 0.216 84 A C 1.986 179.603 177.584 0.055 0.000 1.181 84 A CA 2.215 54.275 52.037 0.037 0.000 0.620 84 A CB -0.716 18.303 19.000 0.032 0.000 0.819 84 A HN 0.439 nan 8.150 nan 0.000 0.442 85 D N -0.367 120.070 120.400 0.062 0.000 2.264 85 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 85 D C 1.646 178.026 176.300 0.133 0.000 0.966 85 D CA 1.190 55.254 54.000 0.108 0.000 0.864 85 D CB -0.097 40.785 40.800 0.137 0.000 0.933 85 D HN 0.343 nan 8.370 nan 0.000 0.499 86 A N -0.802 122.079 122.820 0.102 0.000 2.218 86 A HA 0.455 4.775 4.320 -0.000 0.000 0.209 86 A C 1.795 179.429 177.584 0.085 0.000 1.168 86 A CA 0.738 52.834 52.037 0.098 0.000 0.804 86 A CB -0.442 18.595 19.000 0.063 0.000 0.834 86 A HN 0.378 nan 8.150 nan 0.000 0.482 87 G N -0.732 108.116 108.800 0.080 0.000 2.198 87 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 87 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 87 G C -0.012 174.943 174.900 0.093 0.000 1.025 87 G CA 0.502 45.646 45.100 0.074 0.000 0.769 87 G HN 0.455 nan 8.290 nan 0.000 0.507 88 L N 0.404 121.701 121.223 0.123 0.000 2.325 88 L HA 0.667 5.007 4.340 -0.000 0.000 0.279 88 L C 0.607 177.623 176.870 0.243 0.000 1.054 88 L CA -0.594 54.361 54.840 0.192 0.000 0.804 88 L CB 1.827 44.037 42.059 0.252 0.000 1.200 88 L HN 0.147 nan 8.230 nan 0.000 0.436 89 S N 1.850 117.686 115.700 0.227 0.000 2.607 89 S HA 0.384 4.854 4.470 -0.000 0.000 0.303 89 S C -1.825 172.813 174.600 0.063 0.000 1.086 89 S CA -1.129 57.172 58.200 0.169 0.000 0.995 89 S CB 2.136 65.381 63.200 0.075 0.000 1.084 89 S HN 0.376 nan 8.310 nan 0.000 0.507 90 P HA -0.243 nan 4.420 nan 0.000 0.219 90 P C 1.307 178.337 177.300 -0.451 0.000 1.158 90 P CA 1.374 64.168 63.100 -0.510 0.000 0.895 90 P CB 0.032 31.601 31.700 -0.219 0.000 0.792 91 E N -0.486 119.598 120.200 -0.194 0.000 2.209 91 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 91 E C 1.852 178.394 176.600 -0.096 0.000 0.993 91 E CA 1.699 58.023 56.400 -0.127 0.000 0.819 91 E CB -1.168 28.497 29.700 -0.059 0.000 0.745 91 E HN 0.279 nan 8.360 nan 0.000 0.477 92 A N 0.647 123.434 122.820 -0.055 0.000 2.030 92 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 92 A C 1.670 179.331 177.584 0.128 0.000 1.164 92 A CA 0.893 52.969 52.037 0.065 0.000 0.697 92 A CB -0.381 18.709 19.000 0.151 0.000 0.827 92 A HN 0.445 nan 8.150 nan 0.000 0.457 93 Y N -2.135 118.212 120.300 0.078 0.000 2.432 93 Y HA 0.446 4.996 4.550 -0.000 0.000 0.252 93 Y C 0.517 176.447 175.900 0.050 0.000 1.097 93 Y CA -0.729 57.435 58.100 0.106 0.000 1.250 93 Y CB -0.178 38.418 38.460 0.227 0.000 1.245 93 Y HN 0.139 nan 8.280 nan 0.000 0.522 94 Q N 2.292 121.840 119.800 -0.422 0.000 2.259 94 Q HA 0.200 4.540 4.340 -0.000 0.000 0.249 94 Q C -0.226 175.609 176.000 -0.276 0.000 0.914 94 Q CA -0.404 55.218 55.803 -0.302 0.000 0.904 94 Q CB 0.528 29.037 28.738 -0.382 0.000 1.213 94 Q HN 0.359 nan 8.270 nan 0.000 0.428 95 N N 1.866 120.285 118.700 -0.469 0.000 2.721 95 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 95 N C -1.063 174.230 175.510 -0.362 0.000 1.072 95 N CA 0.745 53.266 53.050 -0.882 0.000 0.710 95 N CB -1.024 37.184 38.487 -0.465 0.000 0.993 95 N HN 0.579 nan 8.380 nan 0.000 0.547 96 N N 0.297 118.896 118.700 -0.169 0.000 2.479 96 N HA 0.308 5.048 4.740 -0.000 0.000 0.261 96 N C -1.876 173.690 175.510 0.093 0.000 0.979 96 N CA -1.886 51.168 53.050 0.005 0.000 0.930 96 N CB 1.595 40.095 38.487 0.023 0.000 1.172 96 N HN -0.166 nan 8.380 nan 0.000 0.499 97 P HA -0.036 nan 4.420 nan 0.000 0.219 97 P C 0.743 178.082 177.300 0.066 0.000 1.146 97 P CA 0.970 64.140 63.100 0.117 0.000 0.808 97 P CB 0.395 32.149 31.700 0.090 0.000 0.779 98 R N -0.996 119.530 120.500 0.042 0.000 2.310 98 R HA 0.166 4.506 4.340 -0.000 0.000 0.202 98 R C -0.005 176.281 176.300 -0.024 0.000 0.933 98 R CA 0.183 56.284 56.100 0.001 0.000 1.054 98 R CB -0.215 30.078 30.300 -0.012 0.000 0.985 98 R HN 0.159 nan 8.270 nan 0.000 0.489 99 V N 0.247 120.174 119.914 0.022 0.000 2.409 99 V HA 0.637 4.757 4.120 -0.000 0.000 0.291 99 V C 0.496 176.635 176.094 0.075 0.000 1.020 99 V CA -0.754 61.565 62.300 0.032 0.000 0.848 99 V CB 1.728 33.624 31.823 0.123 0.000 0.990 99 V HN 0.281 nan 8.190 nan 0.000 0.430 100 G N 3.178 111.996 108.800 0.030 0.000 3.140 100 G HA2 0.836 4.796 3.960 -0.000 0.000 0.271 100 G HA3 0.836 4.796 3.960 -0.000 0.000 0.271 100 G C -1.739 173.205 174.900 0.073 0.000 1.370 100 G CA -0.767 44.353 45.100 0.033 0.000 1.014 100 G HN 0.714 nan 8.290 nan 0.000 0.541 101 L N -0.304 120.914 121.223 -0.009 0.000 2.505 101 L HA 0.704 5.044 4.340 -0.000 0.000 0.266 101 L C -1.553 175.235 176.870 -0.138 0.000 0.954 101 L CA -0.750 54.088 54.840 -0.003 0.000 0.852 101 L CB 1.773 43.849 42.059 0.030 0.000 1.282 101 L HN 0.433 nan 8.230 nan 0.000 0.403 102 I N 5.413 125.907 120.570 -0.126 0.000 2.493 102 I HA 0.696 4.866 4.170 -0.000 0.000 0.279 102 I C -0.457 175.633 176.117 -0.045 0.000 1.045 102 I CA -0.247 60.959 61.300 -0.157 0.000 1.106 102 I CB 1.644 39.530 38.000 -0.190 0.000 1.216 102 I HN 0.679 nan 8.210 nan 0.000 0.459 103 A N 4.211 127.027 122.820 -0.006 0.000 2.515 103 A HA 1.000 5.319 4.320 -0.000 0.000 0.298 103 A C -0.545 177.068 177.584 0.048 0.000 1.059 103 A CA -0.491 51.557 52.037 0.018 0.000 0.698 103 A CB 2.003 21.009 19.000 0.011 0.000 1.289 103 A HN 0.722 nan 8.150 nan 0.000 0.404 104 G N -0.440 108.390 108.800 0.051 0.000 2.721 104 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 104 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 104 G C -0.614 174.319 174.900 0.055 0.000 1.383 104 G CA 0.239 45.377 45.100 0.063 0.000 0.788 104 G HN 1.852 nan 8.290 nan 0.000 0.500 105 S N -2.025 113.711 115.700 0.059 0.000 2.661 105 S HA 0.708 5.178 4.470 -0.000 0.000 0.285 105 S C 0.945 175.578 174.600 0.054 0.000 1.138 105 S CA 0.235 58.467 58.200 0.054 0.000 0.855 105 S CB 1.555 64.790 63.200 0.058 0.000 1.136 105 S HN 1.538 nan 8.310 nan 0.000 0.484 106 G N -0.375 108.452 108.800 0.046 0.000 2.492 106 G HA2 0.355 4.315 3.960 -0.000 0.000 0.214 106 G HA3 0.355 4.315 3.960 -0.000 0.000 0.214 106 G C 0.858 175.799 174.900 0.068 0.000 1.147 106 G CA 0.344 45.474 45.100 0.051 0.000 0.809 106 G HN 1.181 nan 8.290 nan 0.000 0.533 107 G N -1.202 107.641 108.800 0.071 0.000 3.274 107 G HA2 0.460 4.420 3.960 -0.000 0.000 0.250 107 G HA3 0.460 4.420 3.960 -0.000 0.000 0.250 107 G C 1.055 175.995 174.900 0.066 0.000 1.024 107 G CA 0.818 45.963 45.100 0.075 0.000 0.840 107 G HN 1.101 nan 8.290 nan 0.000 0.522 108 G N 0.397 109.236 108.800 0.065 0.000 2.595 108 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.297 108 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.297 108 G C 0.428 175.373 174.900 0.075 0.000 1.181 108 G CA 0.817 45.956 45.100 0.065 0.000 0.963 108 G HN 1.490 nan 8.290 nan 0.000 0.541 109 S N 1.444 117.197 115.700 0.088 0.000 2.356 109 S HA 0.632 5.102 4.470 -0.000 0.000 0.171 109 S C -1.421 173.236 174.600 0.095 0.000 1.399 109 S CA 0.213 58.485 58.200 0.119 0.000 1.225 109 S CB 1.633 64.959 63.200 0.209 0.000 1.271 109 S HN 0.256 nan 8.310 nan 0.000 0.427 110 P HA -0.114 nan 4.420 nan 0.000 0.216 110 P C 1.547 178.802 177.300 -0.075 0.000 1.150 110 P CA 0.741 63.828 63.100 -0.022 0.000 0.837 110 P CB 0.119 31.787 31.700 -0.053 0.000 0.786 111 R N -0.855 119.575 120.500 -0.116 0.000 2.083 111 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 111 R C 1.824 177.978 176.300 -0.243 0.000 1.137 111 R CA 1.779 57.728 56.100 -0.252 0.000 0.951 111 R CB -0.946 29.153 30.300 -0.335 0.000 0.851 111 R HN 0.120 nan 8.270 nan 0.000 0.434 112 F N 0.411 120.382 119.950 0.034 0.000 2.615 112 F HA 0.080 4.607 4.527 -0.000 0.000 0.297 112 F C 2.445 178.334 175.800 0.148 0.000 1.124 112 F CA 0.627 58.700 58.000 0.122 0.000 1.451 112 F CB 0.061 39.102 39.000 0.069 0.000 1.103 112 F HN 0.126 nan 8.300 nan 0.000 0.569 113 Q N -0.219 119.702 119.800 0.202 0.000 2.119 113 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 113 Q C 2.326 178.378 176.000 0.087 0.000 0.972 113 Q CA 1.398 57.280 55.803 0.132 0.000 0.847 113 Q CB -0.108 28.676 28.738 0.076 0.000 0.903 113 Q HN 0.257 nan 8.270 nan 0.000 0.433 114 V N 0.352 120.293 119.914 0.044 0.000 2.379 114 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 114 V C 1.855 177.975 176.094 0.044 0.000 1.044 114 V CA 1.552 63.859 62.300 0.012 0.000 1.036 114 V CB -0.595 31.192 31.823 -0.061 0.000 0.664 114 V HN 0.372 nan 8.190 nan 0.000 0.453 115 F N 2.328 122.250 119.950 -0.047 0.000 2.126 115 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 115 F C 2.133 177.960 175.800 0.046 0.000 1.096 115 F CA 1.808 59.797 58.000 -0.018 0.000 1.255 115 F CB -0.867 38.098 39.000 -0.058 0.000 0.997 115 F HN 0.132 nan 8.300 nan 0.000 0.479 116 G N -0.294 108.478 108.800 -0.047 0.000 2.418 116 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 116 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 116 G C 1.832 176.631 174.900 -0.169 0.000 1.158 116 G CA 0.877 45.893 45.100 -0.140 0.000 0.771 116 G HN 0.647 nan 8.290 nan 0.000 0.545 117 A N 1.119 123.889 122.820 -0.084 0.000 1.877 117 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 117 A C 2.116 179.643 177.584 -0.095 0.000 1.186 117 A CA 2.182 54.181 52.037 -0.064 0.000 0.620 117 A CB -0.477 18.510 19.000 -0.022 0.000 0.822 117 A HN 0.282 nan 8.150 nan 0.000 0.443 118 D N 0.072 120.401 120.400 -0.119 0.000 2.097 118 D HA -0.048 4.592 4.640 -0.000 0.000 0.195 118 D C 2.299 178.492 176.300 -0.177 0.000 0.989 118 D CA 1.644 55.578 54.000 -0.110 0.000 0.827 118 D CB -0.586 40.170 40.800 -0.073 0.000 0.966 118 D HN 0.400 nan 8.370 nan 0.000 0.456 119 A N 0.819 123.425 122.820 -0.357 0.000 1.865 119 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 119 A C 2.184 179.654 177.584 -0.190 0.000 1.191 119 A CA 2.281 54.103 52.037 -0.359 0.000 0.623 119 A CB -0.721 17.884 19.000 -0.660 0.000 0.826 119 A HN 0.183 nan 8.150 nan 0.000 0.444 120 M N -0.060 119.440 119.600 -0.166 0.000 2.106 120 M HA -0.146 4.334 4.480 -0.000 0.000 0.259 120 M C 1.867 178.128 176.300 -0.065 0.000 1.068 120 M CA 1.681 56.925 55.300 -0.093 0.000 1.100 120 M CB -0.494 32.063 32.600 -0.072 0.000 1.351 120 M HN 0.388 nan 8.290 nan 0.000 0.404 121 R N -0.037 120.425 120.500 -0.063 0.000 2.323 121 R HA 0.172 4.512 4.340 -0.000 0.000 0.198 121 R C 0.945 177.224 176.300 -0.036 0.000 0.988 121 R CA 0.296 56.372 56.100 -0.040 0.000 1.041 121 R CB -0.549 29.732 30.300 -0.031 0.000 0.926 121 R HN 0.474 nan 8.270 nan 0.000 0.476 122 G N 1.022 109.794 108.800 -0.048 0.000 2.547 122 G HA2 0.159 4.119 3.960 -0.000 0.000 0.291 122 G HA3 0.159 4.119 3.960 -0.000 0.000 0.291 122 G C -1.539 173.346 174.900 -0.026 0.000 1.211 122 G CA -1.111 43.968 45.100 -0.034 0.000 0.950 122 G HN -0.083 nan 8.290 nan 0.000 0.504 123 P HA -0.052 nan 4.420 nan 0.000 0.226 123 P C 1.356 178.648 177.300 -0.012 0.000 1.153 123 P CA 0.502 63.595 63.100 -0.012 0.000 0.777 123 P CB 0.344 32.040 31.700 -0.006 0.000 0.794 124 R N -0.422 120.069 120.500 -0.014 0.000 2.193 124 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 124 R C 1.783 178.071 176.300 -0.019 0.000 1.055 124 R CA 0.934 57.027 56.100 -0.012 0.000 0.995 124 R CB -0.996 29.301 30.300 -0.005 0.000 0.893 124 R HN 0.241 nan 8.270 nan 0.000 0.459 125 G N 1.487 110.269 108.800 -0.030 0.000 2.611 125 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.301 125 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.301 125 G C 0.939 175.816 174.900 -0.038 0.000 1.233 125 G CA 0.425 45.505 45.100 -0.034 0.000 0.993 125 G HN 0.272 nan 8.290 nan 0.000 0.553 126 L N 0.424 121.629 121.223 -0.028 0.000 2.129 126 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 126 L C 3.006 179.864 176.870 -0.020 0.000 1.087 126 L CA 2.201 57.026 54.840 -0.026 0.000 0.757 126 L CB -0.474 41.572 42.059 -0.021 0.000 0.896 126 L HN 0.543 nan 8.230 nan 0.000 0.434 127 K N -0.111 120.280 120.400 -0.014 0.000 2.148 127 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 127 K C 2.191 178.799 176.600 0.013 0.000 1.050 127 K CA 1.258 57.543 56.287 -0.004 0.000 0.942 127 K CB -0.163 32.337 32.500 -0.001 0.000 0.724 127 K HN 0.308 nan 8.250 nan 0.000 0.446 128 A N 0.753 123.575 122.820 0.003 0.000 2.016 128 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 128 A C 2.256 179.858 177.584 0.031 0.000 1.162 128 A CA 0.771 52.820 52.037 0.019 0.000 0.662 128 A CB -0.273 18.707 19.000 -0.032 0.000 0.812 128 A HN 0.034 nan 8.150 nan 0.000 0.450 129 V N -0.398 119.503 119.914 -0.022 0.000 2.295 129 V HA 0.181 4.301 4.120 -0.000 0.000 0.246 129 V C 1.623 177.811 176.094 0.156 0.000 1.049 129 V CA 1.256 63.559 62.300 0.005 0.000 1.024 129 V CB -1.905 29.904 31.823 -0.023 0.000 0.648 129 V HN 1.248 nan 8.190 nan 0.000 0.447 130 G N 0.324 109.163 108.800 0.065 0.000 2.746 130 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.685 130 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.685 130 G C -1.637 173.206 174.900 -0.095 0.000 1.350 130 G CA -0.092 45.014 45.100 0.010 0.000 0.837 130 G HN 0.308 nan 8.290 nan 0.000 0.564 131 P HA 0.188 nan 4.420 nan 0.000 0.255 131 P C 0.266 177.301 177.300 -0.441 0.000 1.248 131 P CA 0.771 63.622 63.100 -0.414 0.000 0.807 131 P CB 0.066 31.442 31.700 -0.539 0.000 1.150 132 Y N -1.300 118.990 120.300 -0.016 0.000 2.507 132 Y HA 0.123 4.673 4.550 -0.000 0.000 0.254 132 Y C 2.185 178.064 175.900 -0.035 0.000 1.171 132 Y CA -0.256 57.811 58.100 -0.054 0.000 1.238 132 Y CB -0.438 37.884 38.460 -0.230 0.000 1.148 132 Y HN -0.277 nan 8.280 nan 0.000 0.525 133 V N -1.447 118.545 119.914 0.130 0.000 2.453 133 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 133 V C 2.122 178.276 176.094 0.099 0.000 1.048 133 V CA 1.344 63.723 62.300 0.132 0.000 1.049 133 V CB -0.687 31.272 31.823 0.227 0.000 0.672 133 V HN 0.228 nan 8.190 nan 0.000 0.457 134 V N 1.394 121.365 119.914 0.096 0.000 2.231 134 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 134 V C 2.870 179.008 176.094 0.075 0.000 1.054 134 V CA 2.833 65.181 62.300 0.081 0.000 1.015 134 V CB -1.310 30.554 31.823 0.069 0.000 0.638 134 V HN 0.820 nan 8.190 nan 0.000 0.444 135 T N -2.084 112.531 114.554 0.102 0.000 2.929 135 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 135 T C 1.687 176.406 174.700 0.031 0.000 1.085 135 T CA 1.390 63.539 62.100 0.081 0.000 1.125 135 T CB -0.272 68.685 68.868 0.149 0.000 0.874 135 T HN 0.496 nan 8.240 nan 0.000 0.494 136 K N 0.864 121.255 120.400 -0.015 0.000 2.137 136 K HA 0.365 4.684 4.320 -0.000 0.000 0.202 136 K C 2.599 179.198 176.600 -0.003 0.000 1.052 136 K CA 0.857 57.068 56.287 -0.126 0.000 0.961 136 K CB -0.078 32.145 32.500 -0.463 0.000 0.741 136 K HN 0.417 nan 8.250 nan 0.000 0.452 137 A N 1.809 124.664 122.820 0.060 0.000 2.095 137 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 137 A C 1.210 178.839 177.584 0.074 0.000 1.162 137 A CA -0.148 51.951 52.037 0.104 0.000 0.753 137 A CB -0.335 18.746 19.000 0.135 0.000 0.840 137 A HN 0.292 nan 8.150 nan 0.000 0.468 138 M N -1.487 118.147 119.600 0.058 0.000 2.252 138 M HA 0.460 4.940 4.480 -0.000 0.000 0.333 138 M C 0.940 177.270 176.300 0.050 0.000 1.111 138 M CA 0.457 55.787 55.300 0.050 0.000 1.140 138 M CB 0.485 33.110 32.600 0.042 0.000 1.538 138 M HN 0.057 nan 8.290 nan 0.000 0.448 139 A N 2.123 124.972 122.820 0.048 0.000 2.019 139 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 139 A C 2.000 179.616 177.584 0.054 0.000 1.164 139 A CA 1.858 53.926 52.037 0.051 0.000 0.644 139 A CB -0.898 18.131 19.000 0.048 0.000 0.805 139 A HN 1.006 nan 8.150 nan 0.000 0.449 140 S N -0.968 114.764 115.700 0.052 0.000 2.634 140 S HA 0.300 4.770 4.470 -0.000 0.000 0.221 140 S C 1.614 176.243 174.600 0.049 0.000 0.952 140 S CA 0.530 58.765 58.200 0.059 0.000 0.930 140 S CB -0.276 62.962 63.200 0.063 0.000 0.780 140 S HN 0.557 nan 8.310 nan 0.000 0.498 141 G N 2.184 111.009 108.800 0.042 0.000 2.476 141 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 141 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 141 G C 1.296 176.216 174.900 0.035 0.000 1.164 141 G CA 1.191 46.309 45.100 0.030 0.000 0.768 141 G HN 0.481 nan 8.290 nan 0.000 0.560 142 V N 1.711 121.652 119.914 0.045 0.000 2.392 142 V HA -0.213 3.907 4.120 -0.000 0.000 0.249 142 V C 3.213 179.343 176.094 0.060 0.000 1.059 142 V CA 2.474 64.807 62.300 0.054 0.000 1.051 142 V CB -0.382 31.475 31.823 0.056 0.000 0.658 142 V HN 0.642 nan 8.190 nan 0.000 0.455 143 S N 0.210 115.943 115.700 0.055 0.000 2.421 143 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 143 S C 2.077 176.706 174.600 0.048 0.000 1.035 143 S CA 0.826 59.055 58.200 0.049 0.000 0.953 143 S CB -0.158 63.072 63.200 0.049 0.000 0.810 143 S HN 0.508 nan 8.310 nan 0.000 0.497 144 A N 1.057 123.899 122.820 0.037 0.000 1.873 144 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 144 A C 2.319 179.902 177.584 -0.001 0.000 1.186 144 A CA 1.476 53.520 52.037 0.012 0.000 0.616 144 A CB -1.435 17.561 19.000 -0.006 0.000 0.823 144 A HN 0.686 nan 8.150 nan 0.000 0.442 145 C N -1.094 118.214 119.300 0.014 0.000 2.472 145 C HA 0.168 4.628 4.460 -0.000 0.000 0.278 145 C C 2.289 177.349 174.990 0.117 0.000 1.447 145 C CA 0.554 59.583 59.018 0.017 0.000 1.773 145 C CB -1.297 26.451 27.740 0.013 0.000 1.793 145 C HN 0.522 nan 8.230 nan 0.000 0.544 146 L N 0.639 121.962 121.223 0.166 0.000 2.349 146 L HA 0.251 4.591 4.340 -0.000 0.000 0.200 146 L C 2.662 179.702 176.870 0.283 0.000 1.064 146 L CA 1.688 56.715 54.840 0.311 0.000 0.821 146 L CB -1.220 40.967 42.059 0.212 0.000 1.027 146 L HN 0.155 nan 8.230 nan 0.000 0.476 147 A N -1.062 121.846 122.820 0.147 0.000 1.978 147 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 147 A C 2.285 179.944 177.584 0.125 0.000 1.170 147 A CA 2.392 54.504 52.037 0.125 0.000 0.636 147 A CB -0.934 18.111 19.000 0.075 0.000 0.810 147 A HN 0.432 nan 8.150 nan 0.000 0.448 148 T N 0.230 114.828 114.554 0.073 0.000 2.732 148 T HA -0.043 4.306 4.350 -0.000 0.000 0.261 148 T C -0.083 174.632 174.700 0.024 0.000 1.040 148 T CA 1.486 63.602 62.100 0.026 0.000 1.145 148 T CB -0.929 67.900 68.868 -0.064 0.000 0.866 148 T HN 0.522 nan 8.240 nan 0.000 0.427 149 P HA 0.050 nan 4.420 nan 0.000 0.222 149 P C 0.751 177.972 177.300 -0.131 0.000 1.153 149 P CA 0.910 63.962 63.100 -0.080 0.000 0.798 149 P CB -0.225 31.409 31.700 -0.111 0.000 0.796 150 F N 0.599 120.593 119.950 0.073 0.000 2.773 150 F HA 0.164 4.691 4.527 -0.000 0.000 0.304 150 F C 0.813 176.663 175.800 0.084 0.000 1.129 150 F CA -0.058 57.984 58.000 0.070 0.000 1.378 150 F CB -0.113 38.847 39.000 -0.065 0.000 1.095 150 F HN -0.244 nan 8.300 nan 0.000 0.565 151 K N 0.401 120.901 120.400 0.168 0.000 3.096 151 K HA -0.196 4.124 4.320 -0.000 0.000 0.266 151 K C -0.438 176.215 176.600 0.088 0.000 1.043 151 K CA 0.328 56.666 56.287 0.085 0.000 0.758 151 K CB -2.356 30.127 32.500 -0.029 0.000 1.260 151 K HN 0.188 nan 8.250 nan 0.000 0.481 152 I N 1.182 121.861 120.570 0.182 0.000 2.496 152 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 152 I C 1.928 178.226 176.117 0.302 0.000 1.080 152 I CA 0.295 61.710 61.300 0.192 0.000 1.404 152 I CB 0.361 38.456 38.000 0.158 0.000 1.403 152 I HN 0.251 nan 8.210 nan 0.000 0.539 153 H N 3.203 122.314 119.070 0.069 0.000 2.874 153 H HA 0.181 4.737 4.556 -0.000 0.000 0.264 153 H C 1.332 176.679 175.328 0.033 0.000 1.007 153 H CA -0.017 56.057 56.048 0.043 0.000 1.207 153 H CB 1.397 31.181 29.762 0.037 0.000 1.487 153 H HN 0.765 nan 8.280 nan 0.000 0.505 154 G N 1.153 110.042 108.800 0.148 0.000 2.624 154 G HA2 0.217 4.177 3.960 -0.000 0.000 0.217 154 G HA3 0.217 4.177 3.960 -0.000 0.000 0.217 154 G C 0.240 175.159 174.900 0.031 0.000 1.506 154 G CA 0.070 45.212 45.100 0.070 0.000 1.072 154 G HN 0.122 nan 8.290 nan 0.000 0.568 155 V N -0.902 119.002 119.914 -0.017 0.000 2.999 155 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 155 V C -0.153 175.858 176.094 -0.137 0.000 1.084 155 V CA -0.143 62.111 62.300 -0.076 0.000 1.155 155 V CB 1.173 32.891 31.823 -0.175 0.000 0.975 155 V HN 0.826 nan 8.190 nan 0.000 0.490 156 N N 2.882 121.489 118.700 -0.154 0.000 2.699 156 N HA 0.451 5.191 4.740 -0.000 0.000 0.271 156 N C -1.193 174.314 175.510 -0.006 0.000 1.216 156 N CA -0.572 52.410 53.050 -0.112 0.000 0.844 156 N CB 0.988 39.477 38.487 0.003 0.000 1.462 156 N HN 1.030 nan 8.380 nan 0.000 0.555 157 Y N -1.133 119.185 120.300 0.029 0.000 2.713 157 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 157 Y C -1.204 174.712 175.900 0.026 0.000 1.222 157 Y CA -1.190 56.925 58.100 0.024 0.000 1.061 157 Y CB 0.559 39.030 38.460 0.018 0.000 1.314 157 Y HN 0.106 nan 8.280 nan 0.000 0.453 158 S N 1.520 117.413 115.700 0.320 0.000 2.537 158 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 158 S C -0.883 173.849 174.600 0.220 0.000 1.092 158 S CA -0.735 57.591 58.200 0.210 0.000 1.048 158 S CB 1.159 64.433 63.200 0.123 0.000 1.053 158 S HN 0.514 nan 8.310 nan 0.000 0.501 159 I N 1.909 122.587 120.570 0.181 0.000 2.433 159 I HA 0.446 4.616 4.170 -0.000 0.000 0.292 159 I C -0.195 175.989 176.117 0.112 0.000 1.001 159 I CA -0.322 61.062 61.300 0.140 0.000 1.119 159 I CB 1.981 40.081 38.000 0.165 0.000 1.289 159 I HN 0.484 nan 8.210 nan 0.000 0.438 160 S N 3.433 119.185 115.700 0.087 0.000 2.561 160 S HA 0.593 5.063 4.470 -0.000 0.000 0.303 160 S C -0.326 174.332 174.600 0.097 0.000 1.110 160 S CA -0.419 57.834 58.200 0.089 0.000 1.034 160 S CB 1.050 64.293 63.200 0.071 0.000 1.010 160 S HN 0.672 nan 8.310 nan 0.000 0.482 161 S N 2.941 118.719 115.700 0.131 0.000 2.607 161 S HA 0.631 5.101 4.470 -0.000 0.000 0.196 161 S C 0.545 175.232 174.600 0.145 0.000 0.911 161 S CA -0.011 58.285 58.200 0.160 0.000 1.133 161 S CB -0.170 63.198 63.200 0.280 0.000 1.612 161 S HN 1.899 nan 8.310 nan 0.000 0.437 162 A N 2.219 125.100 122.820 0.102 0.000 5.479 162 A HA -0.265 4.055 4.320 -0.000 0.000 0.301 162 A C 1.728 179.325 177.584 0.022 0.000 1.961 162 A CA 1.310 53.381 52.037 0.057 0.000 0.716 162 A CB -2.226 16.823 19.000 0.082 0.000 1.266 162 A HN 1.401 nan 8.150 nan 0.000 0.372 163 S N 0.124 115.827 115.700 0.005 0.000 2.547 163 S HA 0.242 4.712 4.470 -0.000 0.000 0.235 163 S C 1.651 176.267 174.600 0.028 0.000 0.980 163 S CA 1.607 59.841 58.200 0.056 0.000 0.941 163 S CB -0.326 63.013 63.200 0.232 0.000 0.763 163 S HN 1.769 nan 8.310 nan 0.000 0.532 164 A N 0.855 123.684 122.820 0.015 0.000 2.348 164 A HA 0.214 4.534 4.320 -0.000 0.000 0.224 164 A C 1.911 179.491 177.584 -0.008 0.000 1.227 164 A CA 0.357 52.355 52.037 -0.064 0.000 0.885 164 A CB -0.660 18.299 19.000 -0.069 0.000 0.933 164 A HN 0.335 nan 8.150 nan 0.000 0.506 165 T N 1.563 116.164 114.554 0.079 0.000 2.493 165 T HA -0.276 4.074 4.350 -0.000 0.000 0.256 165 T C 2.200 176.940 174.700 0.067 0.000 1.195 165 T CA 2.768 64.931 62.100 0.105 0.000 1.183 165 T CB -0.589 68.320 68.868 0.069 0.000 0.863 165 T HN 0.812 nan 8.240 nan 0.000 0.418 166 S N 1.368 117.073 115.700 0.008 0.000 2.507 166 S HA 0.220 4.690 4.470 -0.000 0.000 0.235 166 S C 2.142 176.705 174.600 -0.061 0.000 0.988 166 S CA 0.711 58.898 58.200 -0.022 0.000 0.944 166 S CB -0.363 62.811 63.200 -0.043 0.000 0.762 166 S HN 0.573 nan 8.310 nan 0.000 0.526 167 A N 1.632 124.396 122.820 -0.095 0.000 1.903 167 A HA 0.102 4.422 4.320 -0.000 0.000 0.213 167 A C 1.884 179.391 177.584 -0.128 0.000 1.185 167 A CA 1.000 52.947 52.037 -0.150 0.000 0.628 167 A CB -0.884 17.985 19.000 -0.219 0.000 0.830 167 A HN 0.647 nan 8.150 nan 0.000 0.446 168 H N -1.477 117.610 119.070 0.028 0.000 2.423 168 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 168 H C 2.167 177.479 175.328 -0.027 0.000 1.075 168 H CA 1.275 57.362 56.048 0.064 0.000 1.342 168 H CB -0.139 29.695 29.762 0.120 0.000 1.395 168 H HN 0.531 nan 8.280 nan 0.000 0.530 169 C N 0.312 119.664 119.300 0.086 0.000 2.432 169 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 169 C C 2.684 177.630 174.990 -0.072 0.000 1.249 169 C CA 0.812 59.846 59.018 0.028 0.000 1.725 169 C CB -0.806 26.944 27.740 0.017 0.000 2.028 169 C HN 0.530 nan 8.230 nan 0.000 0.477 170 I N 1.066 121.558 120.570 -0.130 0.000 2.252 170 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 170 I C 2.738 178.655 176.117 -0.333 0.000 1.102 170 I CA 1.824 63.006 61.300 -0.197 0.000 1.385 170 I CB -0.977 36.910 38.000 -0.188 0.000 1.064 170 I HN 0.446 nan 8.210 nan 0.000 0.414 171 G N 0.474 108.927 108.800 -0.580 0.000 2.432 171 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 171 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 171 G C 1.472 175.958 174.900 -0.690 0.000 1.135 171 G CA 0.618 44.903 45.100 -1.360 0.000 0.767 171 G HN 0.357 nan 8.290 nan 0.000 0.550 172 N N 0.877 119.422 118.700 -0.258 0.000 2.300 172 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 172 N C 2.504 177.988 175.510 -0.043 0.000 1.016 172 N CA 0.915 53.956 53.050 -0.016 0.000 0.876 172 N CB -0.028 38.524 38.487 0.108 0.000 0.979 172 N HN 0.250 nan 8.380 nan 0.000 0.432 173 A N 0.688 123.441 122.820 -0.111 0.000 1.898 173 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 173 A C 2.439 179.958 177.584 -0.109 0.000 1.181 173 A CA 0.988 52.956 52.037 -0.116 0.000 0.620 173 A CB -0.713 18.200 19.000 -0.145 0.000 0.819 173 A HN 0.139 nan 8.150 nan 0.000 0.442 174 V N 0.232 120.063 119.914 -0.137 0.000 2.287 174 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 174 V C 2.426 178.500 176.094 -0.034 0.000 1.053 174 V CA 2.423 64.666 62.300 -0.095 0.000 1.027 174 V CB -0.873 30.882 31.823 -0.113 0.000 0.646 174 V HN 0.653 nan 8.190 nan 0.000 0.447 175 E N -0.623 119.575 120.200 -0.003 0.000 2.077 175 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 175 E C 2.387 179.003 176.600 0.026 0.000 0.989 175 E CA 1.097 57.526 56.400 0.048 0.000 0.800 175 E CB -0.168 29.593 29.700 0.102 0.000 0.746 175 E HN 0.535 nan 8.360 nan 0.000 0.452 176 Q N 0.205 120.010 119.800 0.009 0.000 2.135 176 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 176 Q C 2.216 178.205 176.000 -0.018 0.000 0.981 176 Q CA 1.103 56.906 55.803 0.001 0.000 0.856 176 Q CB -0.087 28.639 28.738 -0.021 0.000 0.902 176 Q HN 0.434 nan 8.270 nan 0.000 0.425 177 I N 0.354 120.903 120.570 -0.036 0.000 2.333 177 I HA -0.241 3.929 4.170 -0.000 0.000 0.246 177 I C 2.295 178.400 176.117 -0.020 0.000 1.106 177 I CA 0.758 62.031 61.300 -0.044 0.000 1.411 177 I CB -0.186 37.773 38.000 -0.068 0.000 1.082 177 I HN 0.202 nan 8.210 nan 0.000 0.420 178 Q N 0.565 120.362 119.800 -0.005 0.000 2.170 178 Q HA -0.151 4.189 4.340 -0.000 0.000 0.203 178 Q C 2.172 178.179 176.000 0.013 0.000 0.976 178 Q CA 1.218 57.027 55.803 0.009 0.000 0.858 178 Q CB -0.064 28.690 28.738 0.026 0.000 0.907 178 Q HN 0.536 nan 8.270 nan 0.000 0.433 179 L N -0.598 120.633 121.223 0.014 0.000 2.552 179 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 179 L C 1.164 178.040 176.870 0.010 0.000 1.146 179 L CA 0.484 55.333 54.840 0.016 0.000 0.858 179 L CB -0.229 41.843 42.059 0.023 0.000 0.969 179 L HN 0.454 nan 8.230 nan 0.000 0.451 180 G N 0.149 108.950 108.800 0.002 0.000 2.143 180 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 180 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 180 G C 0.978 175.877 174.900 -0.003 0.000 0.991 180 G CA 0.602 45.701 45.100 -0.001 0.000 0.689 180 G HN 0.392 nan 8.290 nan 0.000 0.522 181 K N -0.903 119.495 120.400 -0.003 0.000 2.243 181 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 181 K C 0.995 177.586 176.600 -0.015 0.000 1.051 181 K CA 0.790 57.077 56.287 -0.001 0.000 0.970 181 K CB 0.083 32.589 32.500 0.011 0.000 0.755 181 K HN 0.439 nan 8.250 nan 0.000 0.465 182 Q N -0.340 119.438 119.800 -0.037 0.000 2.456 182 Q HA 0.158 4.498 4.340 -0.000 0.000 0.283 182 Q C -0.468 175.467 176.000 -0.109 0.000 1.084 182 Q CA -0.377 55.386 55.803 -0.067 0.000 0.801 182 Q CB 1.981 30.672 28.738 -0.079 0.000 1.434 182 Q HN -0.049 nan 8.270 nan 0.000 0.419 183 D N 0.069 120.367 120.400 -0.171 0.000 2.394 183 D HA 0.282 4.922 4.640 -0.000 0.000 0.226 183 D C 0.322 176.404 176.300 -0.363 0.000 0.990 183 D CA 0.771 54.596 54.000 -0.292 0.000 0.902 183 D CB 1.381 41.905 40.800 -0.460 0.000 1.038 183 D HN 0.354 nan 8.370 nan 0.000 0.499 184 I N 0.716 121.090 120.570 -0.328 0.000 2.647 184 I HA 0.319 4.489 4.170 -0.000 0.000 0.295 184 I C -1.115 174.798 176.117 -0.340 0.000 1.078 184 I CA -0.847 60.231 61.300 -0.371 0.000 1.048 184 I CB 3.343 41.090 38.000 -0.422 0.000 1.239 184 I HN -0.402 nan 8.210 nan 0.000 0.421 185 V N 5.354 125.022 119.914 -0.411 0.000 2.612 185 V HA 0.365 4.485 4.120 -0.000 0.000 0.301 185 V C -0.861 174.986 176.094 -0.412 0.000 1.059 185 V CA -0.590 61.521 62.300 -0.316 0.000 0.886 185 V CB 1.845 33.550 31.823 -0.198 0.000 1.007 185 V HN 0.382 nan 8.190 nan 0.000 0.426 186 F N 3.405 123.250 119.950 -0.175 0.000 2.445 186 F HA 0.698 5.225 4.527 -0.000 0.000 0.359 186 F C 0.742 176.439 175.800 -0.172 0.000 1.101 186 F CA -0.010 57.870 58.000 -0.200 0.000 1.177 186 F CB 1.197 40.039 39.000 -0.264 0.000 1.110 186 F HN 0.581 nan 8.300 nan 0.000 0.522 187 A N 2.551 125.351 122.820 -0.034 0.000 2.386 187 A HA 0.944 5.264 4.320 -0.000 0.000 0.311 187 A C -0.015 177.536 177.584 -0.056 0.000 1.068 187 A CA 0.083 52.084 52.037 -0.059 0.000 0.743 187 A CB 1.421 20.358 19.000 -0.104 0.000 1.258 187 A HN 1.014 nan 8.150 nan 0.000 0.429 188 G N -0.304 108.469 108.800 -0.044 0.000 2.452 188 G HA2 0.743 4.703 3.960 -0.000 0.000 0.224 188 G HA3 0.743 4.703 3.960 -0.000 0.000 0.224 188 G C -0.165 174.722 174.900 -0.020 0.000 1.208 188 G CA 0.421 45.493 45.100 -0.047 0.000 0.946 188 G HN 2.326 nan 8.290 nan 0.000 0.481 189 G N -2.228 106.566 108.800 -0.010 0.000 2.320 189 G HA2 0.802 4.762 3.960 -0.000 0.000 0.296 189 G HA3 0.802 4.762 3.960 -0.000 0.000 0.296 189 G C -0.517 174.405 174.900 0.037 0.000 1.306 189 G CA 0.714 45.824 45.100 0.017 0.000 0.836 189 G HN 2.142 nan 8.290 nan 0.000 0.517 190 G N -1.315 107.522 108.800 0.061 0.000 2.660 190 G HA2 0.680 4.640 3.960 -0.000 0.000 0.290 190 G HA3 0.680 4.640 3.960 -0.000 0.000 0.290 190 G C -2.000 172.965 174.900 0.107 0.000 1.432 190 G CA -0.243 44.924 45.100 0.112 0.000 0.807 190 G HN 0.742 nan 8.290 nan 0.000 0.485 191 E N -0.179 120.117 120.200 0.159 0.000 2.311 191 E HA 0.359 4.709 4.350 -0.000 0.000 0.281 191 E C -0.137 176.578 176.600 0.191 0.000 0.905 191 E CA -0.668 55.803 56.400 0.117 0.000 0.778 191 E CB 1.428 31.154 29.700 0.042 0.000 1.240 191 E HN 0.711 nan 8.360 nan 0.000 0.410 192 E N 2.988 123.271 120.200 0.138 0.000 2.392 192 E HA 0.358 4.708 4.350 -0.000 0.000 0.256 192 E C -0.705 175.957 176.600 0.105 0.000 1.145 192 E CA -0.772 55.714 56.400 0.142 0.000 0.929 192 E CB 1.025 30.759 29.700 0.058 0.000 0.998 192 E HN 0.239 nan 8.360 nan 0.000 0.442 193 L N 2.144 123.411 121.223 0.073 0.000 2.343 193 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 193 L C -1.284 175.634 176.870 0.079 0.000 0.996 193 L CA -0.378 54.469 54.840 0.012 0.000 0.831 193 L CB 0.838 42.767 42.059 -0.218 0.000 1.232 193 L HN 0.939 nan 8.230 nan 0.000 0.413 194 C N 2.096 121.494 119.300 0.163 0.000 3.307 194 C HA 0.455 4.915 4.460 -0.000 0.000 0.333 194 C C 1.043 176.136 174.990 0.171 0.000 1.291 194 C CA -0.929 58.187 59.018 0.164 0.000 1.273 194 C CB 0.724 28.431 27.740 -0.054 0.000 1.580 194 C HN 1.035 nan 8.230 nan 0.000 0.481 195 W N 0.827 122.229 121.300 0.171 0.000 2.402 195 W HA 0.060 4.720 4.660 -0.000 0.000 0.286 195 W C 1.033 177.613 176.519 0.101 0.000 1.221 195 W CA 1.733 59.146 57.345 0.114 0.000 1.257 195 W CB -1.017 28.473 29.460 0.049 0.000 1.120 195 W HN 0.864 nan 8.180 nan 0.000 0.551 196 E N 0.850 120.408 120.200 -1.070 0.000 2.130 196 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 196 E C 2.316 178.740 176.600 -0.293 0.000 0.998 196 E CA 2.609 58.399 56.400 -1.016 0.000 0.806 196 E CB -0.608 28.550 29.700 -0.902 0.000 0.738 196 E HN 0.388 nan 8.360 nan 0.000 0.459 197 M N -0.778 118.756 119.600 -0.111 0.000 2.556 197 M HA 0.150 4.630 4.480 -0.000 0.000 0.264 197 M C 2.077 178.524 176.300 0.245 0.000 1.163 197 M CA 1.055 56.399 55.300 0.073 0.000 1.186 197 M CB 0.142 32.815 32.600 0.120 0.000 1.321 197 M HN 0.152 nan 8.290 nan 0.000 0.485 198 A N 0.785 123.766 122.820 0.268 0.000 1.908 198 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 198 A C 2.348 180.121 177.584 0.314 0.000 1.181 198 A CA 1.903 54.147 52.037 0.345 0.000 0.627 198 A CB -1.806 17.368 19.000 0.289 0.000 0.818 198 A HN 0.879 nan 8.150 nan 0.000 0.445 199 C N -0.401 119.063 119.300 0.273 0.000 2.410 199 C HA -0.112 4.348 4.460 -0.000 0.000 0.281 199 C C 2.159 177.247 174.990 0.163 0.000 1.318 199 C CA 1.143 60.302 59.018 0.236 0.000 1.776 199 C CB -1.637 26.293 27.740 0.317 0.000 1.942 199 C HN 0.660 nan 8.230 nan 0.000 0.508 200 E N 0.211 120.482 120.200 0.119 0.000 2.150 200 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 200 E C 1.743 178.298 176.600 -0.074 0.000 0.985 200 E CA 1.332 57.721 56.400 -0.019 0.000 0.814 200 E CB -0.288 29.330 29.700 -0.136 0.000 0.752 200 E HN 0.792 nan 8.360 nan 0.000 0.466 201 F N 1.073 121.093 119.950 0.118 0.000 2.270 201 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 201 F C 2.206 178.035 175.800 0.048 0.000 1.087 201 F CA 0.825 58.899 58.000 0.123 0.000 1.365 201 F CB -0.043 39.023 39.000 0.109 0.000 1.056 201 F HN -0.064 nan 8.300 nan 0.000 0.506 202 D N 0.420 120.945 120.400 0.208 0.000 2.117 202 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 202 D C 2.263 178.616 176.300 0.089 0.000 0.987 202 D CA 1.272 55.337 54.000 0.107 0.000 0.829 202 D CB -0.246 40.615 40.800 0.102 0.000 0.961 202 D HN 0.156 nan 8.370 nan 0.000 0.460 203 A N 0.630 123.504 122.820 0.089 0.000 2.131 203 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 203 A C 2.120 179.738 177.584 0.056 0.000 1.158 203 A CA 1.714 53.788 52.037 0.063 0.000 0.665 203 A CB -0.755 18.276 19.000 0.052 0.000 0.795 203 A HN 0.534 nan 8.150 nan 0.000 0.460 204 M N -3.278 116.367 119.600 0.076 0.000 2.484 204 M HA 0.484 4.964 4.480 -0.000 0.000 0.307 204 M C 0.874 177.231 176.300 0.095 0.000 1.149 204 M CA 0.431 55.779 55.300 0.079 0.000 0.972 204 M CB -0.005 32.650 32.600 0.091 0.000 1.400 204 M HN 0.533 nan 8.290 nan 0.000 0.508 205 G N 1.344 110.193 108.800 0.082 0.000 2.323 205 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.292 205 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.292 205 G C 0.604 175.554 174.900 0.083 0.000 1.040 205 G CA 0.434 45.573 45.100 0.066 0.000 0.942 205 G HN 0.831 nan 8.290 nan 0.000 0.506 206 A N -1.079 121.802 122.820 0.103 0.000 2.252 206 A HA 0.671 4.991 4.320 -0.000 0.000 0.213 206 A C 1.183 178.631 177.584 -0.226 0.000 1.188 206 A CA 0.455 52.558 52.037 0.110 0.000 0.863 206 A CB 0.305 19.552 19.000 0.412 0.000 0.893 206 A HN 0.593 nan 8.150 nan 0.000 0.495 207 L N -0.050 121.014 121.223 -0.265 0.000 2.360 207 L HA 0.394 4.734 4.340 -0.000 0.000 0.271 207 L C 0.758 177.543 176.870 -0.142 0.000 1.057 207 L CA -0.632 53.977 54.840 -0.386 0.000 0.803 207 L CB 1.580 43.462 42.059 -0.294 0.000 1.207 207 L HN 0.156 nan 8.230 nan 0.000 0.445 208 S N -0.008 115.638 115.700 -0.090 0.000 2.562 208 S HA 0.170 4.640 4.470 -0.000 0.000 0.281 208 S C 0.702 175.311 174.600 0.015 0.000 1.333 208 S CA 0.283 58.503 58.200 0.034 0.000 1.052 208 S CB 0.457 63.716 63.200 0.099 0.000 0.884 208 S HN 0.841 nan 8.310 nan 0.000 0.506 209 T N 1.016 115.584 114.554 0.023 0.000 3.092 209 T HA 0.332 4.682 4.350 -0.000 0.000 0.273 209 T C 0.791 175.438 174.700 -0.087 0.000 0.898 209 T CA -0.452 61.614 62.100 -0.057 0.000 0.868 209 T CB -0.189 68.634 68.868 -0.075 0.000 1.228 209 T HN 0.569 nan 8.240 nan 0.000 0.555 210 K N 0.379 120.724 120.400 -0.092 0.000 2.404 210 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 210 K C -0.424 175.864 176.600 -0.520 0.000 1.023 210 K CA 0.264 56.356 56.287 -0.324 0.000 1.094 210 K CB 0.125 32.344 32.500 -0.467 0.000 0.841 210 K HN 0.481 nan 8.250 nan 0.000 0.523 211 Y N -0.739 119.555 120.300 -0.011 0.000 2.721 211 Y HA 0.191 4.741 4.550 -0.000 0.000 0.251 211 Y C 0.708 176.626 175.900 0.030 0.000 1.136 211 Y CA -0.679 57.427 58.100 0.010 0.000 1.142 211 Y CB 0.179 38.652 38.460 0.022 0.000 1.212 211 Y HN -0.005 nan 8.280 nan 0.000 0.565 212 N N 0.708 119.477 118.700 0.114 0.000 2.430 212 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 212 N C 0.734 176.363 175.510 0.198 0.000 1.032 212 N CA 1.350 54.501 53.050 0.168 0.000 0.893 212 N CB 0.080 38.629 38.487 0.102 0.000 0.957 212 N HN 0.514 nan 8.380 nan 0.000 0.442 213 D N -0.414 120.055 120.400 0.116 0.000 2.354 213 D HA 0.009 4.649 4.640 -0.000 0.000 0.209 213 D C 0.353 176.700 176.300 0.079 0.000 1.015 213 D CA 0.692 54.730 54.000 0.063 0.000 0.867 213 D CB 0.402 41.216 40.800 0.023 0.000 0.933 213 D HN 0.293 nan 8.370 nan 0.000 0.520 214 T N -1.981 112.653 114.554 0.133 0.000 3.583 214 T HA 0.287 4.637 4.350 -0.000 0.000 0.266 214 T C -2.347 172.430 174.700 0.127 0.000 1.296 214 T CA -1.512 60.659 62.100 0.118 0.000 1.668 214 T CB 1.739 70.683 68.868 0.126 0.000 0.832 214 T HN -0.307 nan 8.240 nan 0.000 0.649 215 P HA -0.212 nan 4.420 nan 0.000 0.219 215 P C 1.197 178.547 177.300 0.084 0.000 1.161 215 P CA 1.532 64.716 63.100 0.140 0.000 0.909 215 P CB 0.060 31.864 31.700 0.172 0.000 0.793 216 E N -0.944 119.294 120.200 0.063 0.000 2.515 216 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 216 E C 1.116 177.706 176.600 -0.015 0.000 1.071 216 E CA 0.637 57.053 56.400 0.028 0.000 0.880 216 E CB -0.281 29.436 29.700 0.027 0.000 0.828 216 E HN 0.406 nan 8.360 nan 0.000 0.540 217 K N -0.933 119.442 120.400 -0.043 0.000 2.477 217 K HA 0.254 4.574 4.320 -0.000 0.000 0.208 217 K C 1.513 177.897 176.600 -0.361 0.000 1.117 217 K CA 0.285 56.483 56.287 -0.150 0.000 1.039 217 K CB 0.990 33.424 32.500 -0.111 0.000 0.937 217 K HN -0.017 nan 8.250 nan 0.000 0.570 218 A N 1.530 124.216 122.820 -0.224 0.000 1.858 218 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 218 A C 1.418 178.873 177.584 -0.215 0.000 1.190 218 A CA 1.278 53.170 52.037 -0.242 0.000 0.617 218 A CB -0.188 18.833 19.000 0.035 0.000 0.827 218 A HN 0.161 nan 8.150 nan 0.000 0.443 219 S N 0.501 116.138 115.700 -0.104 0.000 2.422 219 S HA 0.407 4.877 4.470 -0.000 0.000 0.283 219 S C 0.226 174.758 174.600 -0.114 0.000 1.163 219 S CA -0.517 57.642 58.200 -0.068 0.000 1.054 219 S CB -0.212 62.976 63.200 -0.019 0.000 0.967 219 S HN 0.488 nan 8.310 nan 0.000 0.499 220 R N 2.579 123.006 120.500 -0.121 0.000 2.627 220 R HA 0.235 4.575 4.340 -0.000 0.000 0.251 220 R C -0.584 175.659 176.300 -0.095 0.000 1.524 220 R CA -0.660 55.375 56.100 -0.109 0.000 1.606 220 R CB -0.773 29.441 30.300 -0.144 0.000 1.396 220 R HN 0.398 nan 8.270 nan 0.000 0.724 221 T N 1.928 116.383 114.554 -0.164 0.000 2.923 221 T HA -0.114 4.236 4.350 -0.000 0.000 0.304 221 T C 0.060 174.611 174.700 -0.248 0.000 1.044 221 T CA 0.945 62.833 62.100 -0.352 0.000 1.141 221 T CB -0.068 68.451 68.868 -0.582 0.000 1.023 221 T HN 0.562 nan 8.240 nan 0.000 0.533 222 Y N -1.538 118.772 120.300 0.016 0.000 4.897 222 Y HA -0.227 4.323 4.550 -0.000 0.000 0.263 222 Y C 0.783 176.696 175.900 0.021 0.000 0.945 222 Y CA 0.652 58.764 58.100 0.019 0.000 1.858 222 Y CB -2.253 36.217 38.460 0.017 0.000 1.296 222 Y HN 0.801 nan 8.280 nan 0.000 0.490 223 D N 0.617 121.094 120.400 0.129 0.000 2.390 223 D HA 0.530 5.170 4.640 -0.000 0.000 0.249 223 D C 1.260 177.608 176.300 0.080 0.000 1.144 223 D CA 0.787 54.853 54.000 0.109 0.000 0.880 223 D CB 1.268 42.122 40.800 0.090 0.000 1.182 223 D HN 0.284 nan 8.370 nan 0.000 0.451 224 A N 3.475 126.320 122.820 0.041 0.000 2.084 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.221 224 A C 1.076 178.486 177.584 -0.290 0.000 1.161 224 A CA 1.415 53.379 52.037 -0.122 0.000 0.653 224 A CB -0.600 18.283 19.000 -0.195 0.000 0.802 224 A HN 0.784 nan 8.150 nan 0.000 0.457 225 H N -0.507 118.620 119.070 0.095 0.000 2.488 225 H HA 0.195 4.751 4.556 -0.000 0.000 0.294 225 H C 0.447 175.877 175.328 0.169 0.000 1.088 225 H CA -0.326 55.801 56.048 0.132 0.000 1.086 225 H CB 0.055 29.917 29.762 0.165 0.000 1.569 225 H HN 0.598 nan 8.280 nan 0.000 0.548 226 R N 1.229 121.823 120.500 0.157 0.000 2.594 226 R HA 0.071 4.411 4.340 -0.000 0.000 0.272 226 R C -0.535 175.861 176.300 0.160 0.000 1.074 226 R CA 0.020 56.197 56.100 0.127 0.000 1.105 226 R CB 0.566 30.898 30.300 0.054 0.000 1.008 226 R HN 0.205 nan 8.270 nan 0.000 0.472 227 D N 0.753 121.263 120.400 0.184 0.000 2.908 227 D HA 0.242 4.882 4.640 -0.000 0.000 0.361 227 D C 0.090 176.458 176.300 0.113 0.000 1.416 227 D CA -0.080 54.013 54.000 0.154 0.000 0.796 227 D CB 0.432 41.338 40.800 0.177 0.000 1.185 227 D HN 0.920 nan 8.370 nan 0.000 0.451 228 G N 0.336 109.202 108.800 0.110 0.000 2.440 228 G HA2 0.193 4.153 3.960 -0.000 0.000 0.684 228 G HA3 0.193 4.153 3.960 -0.000 0.000 0.684 228 G C -0.589 174.378 174.900 0.112 0.000 1.309 228 G CA -0.688 44.471 45.100 0.097 0.000 0.931 228 G HN 0.347 nan 8.290 nan 0.000 0.612 229 F N -0.738 119.252 119.950 0.068 0.000 2.380 229 F HA 0.835 5.362 4.527 -0.000 0.000 0.319 229 F C 0.233 176.059 175.800 0.043 0.000 1.113 229 F CA -1.488 56.533 58.000 0.035 0.000 1.056 229 F CB 1.343 40.372 39.000 0.048 0.000 1.289 229 F HN 0.422 nan 8.300 nan 0.000 0.515 230 V N 3.946 124.050 119.914 0.317 0.000 2.357 230 V HA 0.264 4.384 4.120 -0.000 0.000 0.284 230 V C 0.177 176.482 176.094 0.352 0.000 1.018 230 V CA -0.863 61.559 62.300 0.203 0.000 0.841 230 V CB 1.084 32.997 31.823 0.150 0.000 0.991 230 V HN 0.850 nan 8.190 nan 0.000 0.437 231 I N 4.743 125.475 120.570 0.271 0.000 2.692 231 I HA 0.537 4.707 4.170 -0.000 0.000 0.284 231 I C 0.457 176.675 176.117 0.169 0.000 1.159 231 I CA 0.449 61.899 61.300 0.249 0.000 1.423 231 I CB 0.891 38.979 38.000 0.147 0.000 1.380 231 I HN 0.788 nan 8.210 nan 0.000 0.580 232 A N 4.955 127.813 122.820 0.064 0.000 2.569 232 A HA 0.890 5.210 4.320 -0.000 0.000 0.290 232 A C -0.591 176.953 177.584 -0.067 0.000 1.136 232 A CA -0.099 51.932 52.037 -0.011 0.000 0.710 232 A CB 1.375 20.376 19.000 0.002 0.000 1.303 232 A HN 0.838 nan 8.150 nan 0.000 0.413 233 G N -1.816 106.902 108.800 -0.136 0.000 3.015 233 G HA2 0.944 4.904 3.960 -0.000 0.000 0.281 233 G HA3 0.944 4.904 3.960 -0.000 0.000 0.281 233 G C 0.029 174.778 174.900 -0.253 0.000 1.386 233 G CA -0.300 44.726 45.100 -0.124 0.000 0.959 233 G HN 2.395 nan 8.290 nan 0.000 0.522 234 G N -2.392 106.211 108.800 -0.329 0.000 2.331 234 G HA2 0.576 4.536 3.960 -0.000 0.000 0.402 234 G HA3 0.576 4.536 3.960 -0.000 0.000 0.402 234 G C -0.208 174.616 174.900 -0.126 0.000 1.275 234 G CA 0.161 44.921 45.100 -0.566 0.000 1.003 234 G HN 2.003 nan 8.290 nan 0.000 0.500 235 G N -1.889 106.860 108.800 -0.085 0.000 2.727 235 G HA2 1.078 5.038 3.960 -0.000 0.000 0.289 235 G HA3 1.078 5.038 3.960 -0.000 0.000 0.289 235 G C -0.241 174.637 174.900 -0.036 0.000 1.418 235 G CA 0.287 45.404 45.100 0.027 0.000 0.818 235 G HN 2.204 nan 8.290 nan 0.000 0.486 236 G N -1.405 107.374 108.800 -0.036 0.000 2.667 236 G HA2 0.639 4.599 3.960 -0.000 0.000 0.294 236 G HA3 0.639 4.599 3.960 -0.000 0.000 0.294 236 G C -1.733 173.124 174.900 -0.073 0.000 1.467 236 G CA -0.523 44.529 45.100 -0.080 0.000 0.852 236 G HN 0.868 nan 8.290 nan 0.000 0.521 237 M N 0.967 120.515 119.600 -0.087 0.000 2.413 237 M HA 0.710 5.190 4.480 -0.000 0.000 0.287 237 M C -1.066 175.180 176.300 -0.090 0.000 1.186 237 M CA -0.717 54.537 55.300 -0.076 0.000 0.927 237 M CB 2.450 35.004 32.600 -0.076 0.000 1.715 237 M HN 1.269 nan 8.290 nan 0.000 0.478 238 V N 1.445 121.306 119.914 -0.088 0.000 2.876 238 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 238 V C -1.282 174.736 176.094 -0.127 0.000 1.085 238 V CA -0.916 61.313 62.300 -0.118 0.000 0.945 238 V CB 1.812 33.543 31.823 -0.153 0.000 1.017 238 V HN 0.607 nan 8.190 nan 0.000 0.428 239 V N 4.099 123.922 119.914 -0.153 0.000 2.368 239 V HA 0.357 4.477 4.120 -0.000 0.000 0.266 239 V C 0.202 176.148 176.094 -0.246 0.000 1.045 239 V CA -0.323 61.800 62.300 -0.295 0.000 0.899 239 V CB 1.080 32.745 31.823 -0.263 0.000 1.006 239 V HN 0.740 nan 8.190 nan 0.000 0.470 240 V N 5.250 124.993 119.914 -0.285 0.000 2.406 240 V HA 0.453 4.573 4.120 -0.000 0.000 0.272 240 V C 0.087 176.042 176.094 -0.231 0.000 1.043 240 V CA -0.279 61.895 62.300 -0.211 0.000 0.915 240 V CB 1.316 33.024 31.823 -0.192 0.000 0.988 240 V HN 0.973 nan 8.190 nan 0.000 0.466 241 E N 2.906 123.007 120.200 -0.165 0.000 2.317 241 E HA 0.347 4.697 4.350 -0.000 0.000 0.270 241 E C -0.665 175.878 176.600 -0.095 0.000 0.885 241 E CA -0.729 55.578 56.400 -0.156 0.000 0.760 241 E CB 1.800 31.433 29.700 -0.112 0.000 1.227 241 E HN 0.696 nan 8.360 nan 0.000 0.434 242 E N 3.239 123.382 120.200 -0.096 0.000 2.415 242 E HA -0.052 4.298 4.350 -0.000 0.000 0.262 242 E C 0.670 177.277 176.600 0.013 0.000 1.038 242 E CA -0.057 56.320 56.400 -0.038 0.000 0.921 242 E CB 1.087 30.768 29.700 -0.032 0.000 0.950 242 E HN 0.615 nan 8.360 nan 0.000 0.438 243 L N 4.707 125.936 121.223 0.009 0.000 1.994 243 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 243 L C 1.972 178.857 176.870 0.025 0.000 1.071 243 L CA 1.878 56.725 54.840 0.011 0.000 0.745 243 L CB -0.509 41.551 42.059 0.001 0.000 0.892 243 L HN 0.542 nan 8.230 nan 0.000 0.431 244 E N -0.968 119.251 120.200 0.033 0.000 2.077 244 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 244 E C 2.216 178.838 176.600 0.036 0.000 0.989 244 E CA 1.332 57.748 56.400 0.026 0.000 0.800 244 E CB -0.718 28.997 29.700 0.024 0.000 0.746 244 E HN 0.659 nan 8.360 nan 0.000 0.452 245 H N 0.611 119.667 119.070 -0.023 0.000 2.387 245 H HA -0.047 4.509 4.556 -0.000 0.000 0.299 245 H C 1.796 177.109 175.328 -0.025 0.000 1.099 245 H CA 1.715 57.749 56.048 -0.023 0.000 1.315 245 H CB 0.226 29.970 29.762 -0.029 0.000 1.380 245 H HN 0.133 nan 8.280 nan 0.000 0.513 246 A N 0.892 123.777 122.820 0.108 0.000 1.897 246 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 246 A C 2.858 180.435 177.584 -0.012 0.000 1.181 246 A CA 0.871 52.938 52.037 0.049 0.000 0.620 246 A CB -0.716 18.302 19.000 0.029 0.000 0.821 246 A HN 0.387 nan 8.150 nan 0.000 0.443 247 L N -0.635 120.578 121.223 -0.016 0.000 2.093 247 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 247 L C 3.054 179.899 176.870 -0.043 0.000 1.085 247 L CA 0.988 55.812 54.840 -0.027 0.000 0.755 247 L CB -0.550 41.497 42.059 -0.020 0.000 0.904 247 L HN 0.426 nan 8.230 nan 0.000 0.435 248 A N 1.045 123.825 122.820 -0.066 0.000 1.972 248 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 248 A C 2.222 179.747 177.584 -0.098 0.000 1.169 248 A CA 1.722 53.706 52.037 -0.088 0.000 0.635 248 A CB -0.504 18.422 19.000 -0.125 0.000 0.810 248 A HN 0.580 nan 8.150 nan 0.000 0.446 249 R N -1.162 119.270 120.500 -0.113 0.000 2.388 249 R HA 0.352 4.692 4.340 -0.000 0.000 0.247 249 R C 0.909 177.186 176.300 -0.039 0.000 0.931 249 R CA 0.581 56.629 56.100 -0.085 0.000 1.082 249 R CB -0.693 29.544 30.300 -0.106 0.000 1.135 249 R HN 0.693 nan 8.270 nan 0.000 0.525 250 G N 0.854 109.635 108.800 -0.033 0.000 2.273 250 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.280 250 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.280 250 G C 0.316 175.215 174.900 -0.000 0.000 1.047 250 G CA 0.257 45.348 45.100 -0.016 0.000 0.869 250 G HN 0.724 nan 8.290 nan 0.000 0.502 251 A N -0.436 122.384 122.820 0.000 0.000 2.366 251 A HA 0.582 4.902 4.320 -0.000 0.000 0.249 251 A C 0.444 178.039 177.584 0.019 0.000 1.084 251 A CA 0.317 52.365 52.037 0.018 0.000 0.794 251 A CB 0.317 19.327 19.000 0.016 0.000 1.034 251 A HN 1.397 nan 8.150 nan 0.000 0.491 252 H N 0.720 119.743 119.070 -0.078 0.000 2.668 252 H HA 0.517 5.073 4.556 -0.000 0.000 0.303 252 H C -0.742 174.479 175.328 -0.179 0.000 1.074 252 H CA -0.458 55.497 56.048 -0.156 0.000 1.406 252 H CB 0.115 29.744 29.762 -0.222 0.000 1.442 252 H HN 0.406 nan 8.280 nan 0.000 0.482 253 I N 7.118 127.324 120.570 -0.607 0.000 2.330 253 I HA 0.025 4.195 4.170 -0.000 0.000 0.289 253 I C 0.061 175.801 176.117 -0.628 0.000 1.001 253 I CA -0.465 60.553 61.300 -0.469 0.000 1.193 253 I CB 0.905 38.785 38.000 -0.201 0.000 1.345 253 I HN 0.749 nan 8.210 nan 0.000 0.461 254 Y N 5.170 125.214 120.300 -0.426 0.000 2.243 254 Y HA 0.228 4.778 4.550 -0.000 0.000 0.293 254 Y C 1.242 177.054 175.900 -0.147 0.000 1.124 254 Y CA 0.898 58.840 58.100 -0.262 0.000 1.159 254 Y CB 0.165 38.538 38.460 -0.146 0.000 1.008 254 Y HN 0.672 nan 8.280 nan 0.000 0.527 255 A N -0.726 122.120 122.820 0.043 0.000 2.522 255 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 255 A C -1.510 176.071 177.584 -0.005 0.000 1.039 255 A CA -0.850 51.194 52.037 0.011 0.000 0.643 255 A CB 0.586 19.603 19.000 0.029 0.000 1.310 255 A HN 0.076 nan 8.150 nan 0.000 0.436 256 E N 0.468 120.664 120.200 -0.007 0.000 2.204 256 E HA 0.634 4.984 4.350 -0.000 0.000 0.276 256 E C -1.150 175.448 176.600 -0.004 0.000 0.974 256 E CA -0.608 55.786 56.400 -0.010 0.000 0.815 256 E CB 0.937 30.633 29.700 -0.007 0.000 1.119 256 E HN 0.495 nan 8.360 nan 0.000 0.393 257 I N 5.645 126.210 120.570 -0.009 0.000 2.291 257 I HA 0.055 4.225 4.170 -0.000 0.000 0.292 257 I C 0.967 177.096 176.117 0.020 0.000 1.064 257 I CA -0.363 60.937 61.300 -0.001 0.000 1.269 257 I CB 1.109 39.096 38.000 -0.023 0.000 1.418 257 I HN 0.524 nan 8.210 nan 0.000 0.485 258 V N 2.618 122.551 119.914 0.033 0.000 3.660 258 V HA 0.506 4.626 4.120 -0.000 0.000 0.276 258 V C 0.683 176.817 176.094 0.067 0.000 1.317 258 V CA 0.130 62.456 62.300 0.043 0.000 1.097 258 V CB 0.040 31.883 31.823 0.033 0.000 0.863 258 V HN 0.720 nan 8.190 nan 0.000 0.438 259 G N -0.392 108.460 108.800 0.086 0.000 2.766 259 G HA2 0.536 4.496 3.960 -0.000 0.000 0.297 259 G HA3 0.536 4.496 3.960 -0.000 0.000 0.297 259 G C -2.295 172.716 174.900 0.185 0.000 1.431 259 G CA -0.556 44.614 45.100 0.117 0.000 1.042 259 G HN 0.341 nan 8.290 nan 0.000 0.542 260 Y N 1.467 121.786 120.300 0.032 0.000 2.307 260 Y HA 0.676 5.226 4.550 -0.000 0.000 0.323 260 Y C -0.137 175.787 175.900 0.041 0.000 1.100 260 Y CA -1.202 56.915 58.100 0.029 0.000 1.140 260 Y CB 1.659 40.136 38.460 0.027 0.000 1.159 260 Y HN 0.830 nan 8.280 nan 0.000 0.436 261 G N 3.066 111.752 108.800 -0.190 0.000 2.416 261 G HA2 0.750 4.710 3.960 -0.000 0.000 0.329 261 G HA3 0.750 4.710 3.960 -0.000 0.000 0.329 261 G C -1.641 173.051 174.900 -0.347 0.000 1.173 261 G CA -0.634 44.290 45.100 -0.293 0.000 0.929 261 G HN 1.142 nan 8.290 nan 0.000 0.475 262 A N 1.443 124.083 122.820 -0.301 0.000 2.446 262 A HA 0.835 5.155 4.320 -0.000 0.000 0.282 262 A C 0.002 177.576 177.584 -0.017 0.000 1.102 262 A CA -0.125 51.880 52.037 -0.055 0.000 0.737 262 A CB 1.178 20.131 19.000 -0.077 0.000 1.212 262 A HN 1.492 nan 8.150 nan 0.000 0.434 263 T N -1.400 113.188 114.554 0.056 0.000 2.831 263 T HA 0.864 5.214 4.350 -0.000 0.000 0.287 263 T C -0.234 174.491 174.700 0.042 0.000 1.070 263 T CA -0.536 61.576 62.100 0.019 0.000 1.010 263 T CB 1.764 70.629 68.868 -0.004 0.000 1.264 263 T HN 1.303 nan 8.240 nan 0.000 0.532 264 S N -1.027 114.679 115.700 0.010 0.000 2.536 264 S HA 0.461 4.931 4.470 -0.000 0.000 0.287 264 S C -0.236 174.359 174.600 -0.008 0.000 1.101 264 S CA -0.631 57.577 58.200 0.013 0.000 0.950 264 S CB 1.604 64.807 63.200 0.005 0.000 1.056 264 S HN 0.692 nan 8.310 nan 0.000 0.481 265 D N 2.638 123.033 120.400 -0.008 0.000 2.137 265 D HA 0.155 4.795 4.640 -0.000 0.000 0.202 265 D C 1.471 177.760 176.300 -0.019 0.000 0.970 265 D CA 1.414 55.398 54.000 -0.026 0.000 0.837 265 D CB -0.520 40.262 40.800 -0.030 0.000 0.981 265 D HN 1.042 nan 8.370 nan 0.000 0.475 266 G N 0.353 109.148 108.800 -0.008 0.000 2.305 266 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.287 266 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.287 266 G C 0.660 175.553 174.900 -0.012 0.000 1.036 266 G CA 0.928 46.023 45.100 -0.009 0.000 0.887 266 G HN 0.620 nan 8.290 nan 0.000 0.505 267 A N -0.890 121.923 122.820 -0.012 0.000 1.857 267 A HA 0.683 5.003 4.320 -0.000 0.000 0.192 267 A C 0.460 178.035 177.584 -0.015 0.000 2.203 267 A CA 1.074 53.102 52.037 -0.015 0.000 1.377 267 A CB 0.280 19.268 19.000 -0.020 0.000 0.976 267 A HN 0.501 nan 8.150 nan 0.000 0.594 268 D N -1.481 118.909 120.400 -0.017 0.000 2.181 268 D HA 0.486 5.126 4.640 -0.000 0.000 0.248 268 D C 0.748 177.029 176.300 -0.032 0.000 1.020 268 D CA -0.452 53.533 54.000 -0.026 0.000 0.891 268 D CB 1.431 42.213 40.800 -0.029 0.000 1.187 268 D HN 0.161 nan 8.370 nan 0.000 0.443 269 M N 2.380 121.947 119.600 -0.055 0.000 2.200 269 M HA 0.028 4.508 4.480 -0.000 0.000 0.265 269 M C 0.808 177.002 176.300 -0.176 0.000 1.066 269 M CA 1.531 56.788 55.300 -0.073 0.000 1.127 269 M CB 0.217 32.772 32.600 -0.075 0.000 1.379 269 M HN 0.426 nan 8.290 nan 0.000 0.420 270 V N -1.326 118.429 119.914 -0.264 0.000 3.455 270 V HA 0.418 4.538 4.120 -0.000 0.000 0.250 270 V C 0.510 176.460 176.094 -0.239 0.000 1.230 270 V CA 0.399 62.362 62.300 -0.562 0.000 1.105 270 V CB 0.113 31.582 31.823 -0.589 0.000 0.850 270 V HN 0.335 nan 8.190 nan 0.000 0.461 271 A N 2.142 124.915 122.820 -0.079 0.000 2.317 271 A HA 0.777 5.097 4.320 -0.000 0.000 0.327 271 A C -2.638 174.966 177.584 0.033 0.000 1.178 271 A CA -1.635 50.414 52.037 0.020 0.000 0.817 271 A CB 0.636 19.645 19.000 0.015 0.000 1.189 271 A HN 0.153 nan 8.150 nan 0.000 0.489 272 P HA 0.084 nan 4.420 nan 0.000 0.272 272 P C 0.635 177.917 177.300 -0.031 0.000 1.223 272 P CA 0.091 63.190 63.100 -0.001 0.000 0.784 272 P CB 1.259 32.948 31.700 -0.019 0.000 0.923 273 S N 0.498 116.158 115.700 -0.066 0.000 2.486 273 S HA 0.210 4.680 4.470 -0.000 0.000 0.220 273 S C 1.578 176.135 174.600 -0.072 0.000 1.011 273 S CA 0.799 58.965 58.200 -0.055 0.000 0.921 273 S CB -0.768 62.400 63.200 -0.053 0.000 0.785 273 S HN 0.742 nan 8.310 nan 0.000 0.517 274 G N 2.044 110.769 108.800 -0.125 0.000 2.579 274 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.222 274 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.222 274 G C 0.931 175.750 174.900 -0.135 0.000 1.201 274 G CA 0.524 45.546 45.100 -0.131 0.000 0.710 274 G HN 0.453 nan 8.290 nan 0.000 0.516 275 E N 1.822 121.964 120.200 -0.097 0.000 2.085 275 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 275 E C 2.623 179.164 176.600 -0.098 0.000 0.994 275 E CA 2.340 58.692 56.400 -0.081 0.000 0.801 275 E CB -0.948 28.717 29.700 -0.058 0.000 0.743 275 E HN 0.668 nan 8.360 nan 0.000 0.453 276 G N 0.628 109.356 108.800 -0.119 0.000 2.422 276 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 276 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 276 G C 1.719 176.523 174.900 -0.160 0.000 1.146 276 G CA 1.208 46.237 45.100 -0.117 0.000 0.769 276 G HN 0.427 nan 8.290 nan 0.000 0.547 277 A N 0.207 122.848 122.820 -0.298 0.000 1.898 277 A HA 0.097 4.417 4.320 -0.000 0.000 0.216 277 A C 2.602 180.119 177.584 -0.112 0.000 1.181 277 A CA 1.717 53.526 52.037 -0.380 0.000 0.620 277 A CB -0.609 17.959 19.000 -0.721 0.000 0.819 277 A HN 0.233 nan 8.150 nan 0.000 0.442 278 V N 0.157 120.008 119.914 -0.106 0.000 2.233 278 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 278 V C 2.642 178.702 176.094 -0.058 0.000 1.050 278 V CA 2.418 64.677 62.300 -0.068 0.000 1.010 278 V CB -0.845 30.937 31.823 -0.069 0.000 0.637 278 V HN 0.543 nan 8.190 nan 0.000 0.444 279 R N -1.083 119.382 120.500 -0.058 0.000 2.127 279 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 279 R C 2.385 178.665 176.300 -0.034 0.000 1.134 279 R CA 1.675 57.746 56.100 -0.049 0.000 0.975 279 R CB -0.885 29.386 30.300 -0.050 0.000 0.865 279 R HN 0.594 nan 8.270 nan 0.000 0.447 280 C N 0.672 119.965 119.300 -0.012 0.000 2.453 280 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 280 C C 2.602 177.614 174.990 0.037 0.000 1.262 280 C CA 0.798 59.831 59.018 0.026 0.000 1.718 280 C CB -0.649 27.157 27.740 0.109 0.000 2.031 280 C HN 0.458 nan 8.230 nan 0.000 0.480 281 M N 0.223 119.856 119.600 0.056 0.000 2.117 281 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 281 M C 2.274 178.566 176.300 -0.013 0.000 1.065 281 M CA 1.779 57.107 55.300 0.047 0.000 1.114 281 M CB -0.518 32.115 32.600 0.055 0.000 1.361 281 M HN 0.377 nan 8.290 nan 0.000 0.408 282 K N 0.056 120.427 120.400 -0.048 0.000 2.097 282 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 282 K C 1.999 178.598 176.600 -0.001 0.000 1.049 282 K CA 1.365 57.620 56.287 -0.052 0.000 0.933 282 K CB -0.237 32.227 32.500 -0.061 0.000 0.717 282 K HN 0.378 nan 8.250 nan 0.000 0.442 283 M N 0.527 120.121 119.600 -0.011 0.000 2.132 283 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 283 M C 2.134 178.447 176.300 0.023 0.000 1.065 283 M CA 1.622 56.914 55.300 -0.014 0.000 1.122 283 M CB -0.084 32.478 32.600 -0.064 0.000 1.365 283 M HN 0.154 nan 8.290 nan 0.000 0.411 284 A N 0.243 123.077 122.820 0.023 0.000 1.972 284 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 284 A C 1.980 179.608 177.584 0.074 0.000 1.169 284 A CA 1.577 53.647 52.037 0.055 0.000 0.635 284 A CB -0.625 18.416 19.000 0.068 0.000 0.810 284 A HN 0.642 nan 8.150 nan 0.000 0.446 285 M N -1.063 118.573 119.600 0.061 0.000 2.506 285 M HA 0.003 4.483 4.480 -0.000 0.000 0.260 285 M C 0.792 177.124 176.300 0.054 0.000 1.104 285 M CA 0.195 55.526 55.300 0.052 0.000 1.112 285 M CB -0.138 32.470 32.600 0.014 0.000 1.401 285 M HN 0.480 nan 8.290 nan 0.000 0.473 286 H N 0.809 119.873 119.070 -0.010 0.000 3.145 286 H HA 0.019 4.575 4.556 -0.000 0.000 0.288 286 H C 0.966 176.295 175.328 0.002 0.000 0.969 286 H CA 1.858 57.900 56.048 -0.010 0.000 1.444 286 H CB 0.318 30.070 29.762 -0.016 0.000 1.500 286 H HN 0.572 nan 8.280 nan 0.000 0.552 287 G N 3.952 112.517 108.800 -0.392 0.000 2.213 287 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 287 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 287 G C 0.078 174.925 174.900 -0.088 0.000 0.991 287 G CA 0.131 45.094 45.100 -0.228 0.000 0.629 287 G HN 0.623 nan 8.290 nan 0.000 0.517 288 V N 2.942 122.825 119.914 -0.051 0.000 2.372 288 V HA 0.369 4.489 4.120 -0.000 0.000 0.261 288 V C 1.337 177.420 176.094 -0.018 0.000 1.055 288 V CA 0.455 62.748 62.300 -0.011 0.000 0.930 288 V CB 1.170 33.005 31.823 0.021 0.000 1.031 288 V HN 0.494 nan 8.190 nan 0.000 0.479 289 D N 2.631 123.020 120.400 -0.017 0.000 2.277 289 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 289 D C 1.080 177.382 176.300 0.003 0.000 0.962 289 D CA 0.600 54.591 54.000 -0.015 0.000 0.865 289 D CB -0.194 40.596 40.800 -0.017 0.000 0.939 289 D HN 0.589 nan 8.370 nan 0.000 0.510 290 T N -1.730 112.832 114.554 0.013 0.000 2.918 290 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 290 T C -2.270 172.453 174.700 0.040 0.000 1.001 290 T CA -1.591 60.522 62.100 0.022 0.000 1.041 290 T CB 1.719 70.599 68.868 0.021 0.000 1.028 290 T HN -0.086 nan 8.240 nan 0.000 0.511 291 P HA 0.357 nan 4.420 nan 0.000 0.276 291 P C -0.545 176.796 177.300 0.068 0.000 1.252 291 P CA -0.759 62.383 63.100 0.070 0.000 0.802 291 P CB 0.581 32.315 31.700 0.056 0.000 1.035 292 I N 2.495 123.120 120.570 0.091 0.000 2.337 292 I HA 0.048 4.218 4.170 -0.000 0.000 0.291 292 I C 1.301 177.400 176.117 -0.029 0.000 1.046 292 I CA 0.247 61.573 61.300 0.042 0.000 1.324 292 I CB 0.193 38.231 38.000 0.062 0.000 1.409 292 I HN 0.314 nan 8.210 nan 0.000 0.494 293 D N 4.967 125.371 120.400 0.007 0.000 2.183 293 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 293 D C 0.088 176.422 176.300 0.057 0.000 0.962 293 D CA 1.477 55.488 54.000 0.019 0.000 0.849 293 D CB 0.404 41.227 40.800 0.040 0.000 0.978 293 D HN 0.501 nan 8.370 nan 0.000 0.488 294 Y N 0.210 120.459 120.300 -0.085 0.000 2.524 294 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 294 Y C -1.846 174.004 175.900 -0.084 0.000 1.005 294 Y CA -1.211 56.834 58.100 -0.092 0.000 1.025 294 Y CB 1.596 40.006 38.460 -0.083 0.000 1.275 294 Y HN -0.231 nan 8.280 nan 0.000 0.460 295 L N 6.935 127.542 121.223 -1.028 0.000 2.372 295 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 295 L C -1.189 175.069 176.870 -1.022 0.000 0.989 295 L CA -0.479 53.891 54.840 -0.783 0.000 0.841 295 L CB 0.824 42.639 42.059 -0.406 0.000 1.225 295 L HN 0.787 nan 8.230 nan 0.000 0.414 296 N N 3.692 121.938 118.700 -0.756 0.000 2.482 296 N HA 0.096 4.835 4.740 -0.000 0.000 0.242 296 N C -0.215 175.203 175.510 -0.154 0.000 1.100 296 N CA -0.132 52.726 53.050 -0.319 0.000 0.946 296 N CB 0.909 39.405 38.487 0.016 0.000 1.227 296 N HN 0.728 nan 8.380 nan 0.000 0.508 297 S N 2.677 118.326 115.700 -0.085 0.000 2.596 297 S HA -0.015 4.455 4.470 -0.000 0.000 0.260 297 S C 1.305 175.889 174.600 -0.026 0.000 1.336 297 S CA -0.175 58.023 58.200 -0.002 0.000 0.993 297 S CB 1.069 64.357 63.200 0.146 0.000 0.923 297 S HN 0.725 nan 8.310 nan 0.000 0.567 298 H N 1.733 120.710 119.070 -0.154 0.000 2.333 298 H HA 0.168 4.724 4.556 -0.000 0.000 0.302 298 H C 1.575 176.789 175.328 -0.190 0.000 1.075 298 H CA 1.288 57.194 56.048 -0.237 0.000 1.348 298 H CB -1.105 28.473 29.762 -0.307 0.000 1.393 298 H HN 1.064 nan 8.280 nan 0.000 0.509 299 G N 0.906 109.616 108.800 -0.150 0.000 2.167 299 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.233 299 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.233 299 G C 1.016 175.643 174.900 -0.455 0.000 0.493 299 G CA 0.981 45.890 45.100 -0.318 0.000 1.034 299 G HN 0.769 nan 8.290 nan 0.000 0.410 300 T N -1.235 113.039 114.554 -0.467 0.000 3.113 300 T HA 0.342 4.692 4.350 -0.000 0.000 0.256 300 T C 1.360 175.964 174.700 -0.160 0.000 1.131 300 T CA 1.047 62.879 62.100 -0.447 0.000 1.074 300 T CB 0.247 68.807 68.868 -0.513 0.000 0.944 300 T HN 1.981 nan 8.240 nan 0.000 0.516 301 S N 0.819 116.422 115.700 -0.163 0.000 3.931 301 S HA -0.130 4.340 4.470 -0.000 0.000 0.318 301 S C 0.162 174.785 174.600 0.037 0.000 1.098 301 S CA 0.554 58.703 58.200 -0.085 0.000 0.900 301 S CB -2.152 61.011 63.200 -0.060 0.000 0.886 301 S HN 1.290 nan 8.310 nan 0.000 0.513 302 T N -1.233 113.359 114.554 0.064 0.000 2.918 302 T HA 0.730 5.080 4.350 -0.000 0.000 0.286 302 T C -1.591 173.169 174.700 0.100 0.000 1.026 302 T CA -1.604 60.575 62.100 0.132 0.000 1.031 302 T CB 1.783 70.780 68.868 0.216 0.000 1.046 302 T HN -0.050 nan 8.240 nan 0.000 0.479 303 P HA -0.120 nan 4.420 nan 0.000 0.213 303 P C 1.691 179.044 177.300 0.088 0.000 1.170 303 P CA 0.744 63.894 63.100 0.083 0.000 0.902 303 P CB -0.058 31.687 31.700 0.075 0.000 0.789 304 V N -0.361 119.612 119.914 0.098 0.000 2.283 304 V HA -0.108 4.012 4.120 -0.000 0.000 0.243 304 V C 2.609 178.772 176.094 0.115 0.000 1.039 304 V CA 2.417 64.774 62.300 0.095 0.000 1.016 304 V CB -2.008 29.869 31.823 0.090 0.000 0.650 304 V HN 0.169 nan 8.190 nan 0.000 0.449 305 G N 0.150 109.037 108.800 0.145 0.000 2.491 305 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 305 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 305 G C 1.212 176.213 174.900 0.169 0.000 1.180 305 G CA 1.347 46.553 45.100 0.176 0.000 0.774 305 G HN 0.495 nan 8.290 nan 0.000 0.562 306 D N 0.117 120.594 120.400 0.129 0.000 2.116 306 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 306 D C 2.920 179.368 176.300 0.247 0.000 0.998 306 D CA 1.858 55.951 54.000 0.156 0.000 0.836 306 D CB -0.634 40.209 40.800 0.071 0.000 0.951 306 D HN 0.377 nan 8.370 nan 0.000 0.449 307 V N -1.020 118.997 119.914 0.173 0.000 2.453 307 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 307 V C 2.009 178.170 176.094 0.112 0.000 1.048 307 V CA 1.020 63.403 62.300 0.138 0.000 1.049 307 V CB -0.452 31.427 31.823 0.094 0.000 0.672 307 V HN -0.075 nan 8.190 nan 0.000 0.457 308 K N 1.078 121.539 120.400 0.101 0.000 2.063 308 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 308 K C 2.186 178.827 176.600 0.068 0.000 1.048 308 K CA 2.231 58.555 56.287 0.062 0.000 0.928 308 K CB -0.571 31.954 32.500 0.043 0.000 0.713 308 K HN 0.793 nan 8.250 nan 0.000 0.442 309 E N 0.914 121.198 120.200 0.140 0.000 2.106 309 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 309 E C 2.140 178.844 176.600 0.173 0.000 0.984 309 E CA 0.558 57.076 56.400 0.196 0.000 0.806 309 E CB -0.002 29.919 29.700 0.367 0.000 0.750 309 E HN 0.176 nan 8.360 nan 0.000 0.458 310 L N 0.463 121.784 121.223 0.163 0.000 2.046 310 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 310 L C 2.694 179.603 176.870 0.066 0.000 1.077 310 L CA 1.127 56.021 54.840 0.091 0.000 0.747 310 L CB -0.497 41.595 42.059 0.054 0.000 0.896 310 L HN 0.253 nan 8.230 nan 0.000 0.432 311 A N -0.083 122.773 122.820 0.060 0.000 1.902 311 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 311 A C 2.527 180.132 177.584 0.035 0.000 1.181 311 A CA 1.657 53.717 52.037 0.038 0.000 0.623 311 A CB -0.656 18.360 19.000 0.026 0.000 0.818 311 A HN 0.406 nan 8.150 nan 0.000 0.443 312 A N 0.034 122.876 122.820 0.036 0.000 1.902 312 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 312 A C 2.110 179.733 177.584 0.065 0.000 1.181 312 A CA 1.553 53.602 52.037 0.021 0.000 0.623 312 A CB -0.633 18.361 19.000 -0.011 0.000 0.818 312 A HN 0.503 nan 8.150 nan 0.000 0.443 313 I N -1.115 119.532 120.570 0.128 0.000 2.226 313 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 313 I C 2.713 178.966 176.117 0.226 0.000 1.100 313 I CA 1.641 63.080 61.300 0.231 0.000 1.374 313 I CB -0.321 37.803 38.000 0.206 0.000 1.057 313 I HN 0.359 nan 8.210 nan 0.000 0.413 314 R N 1.016 121.589 120.500 0.122 0.000 2.096 314 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 314 R C 2.217 178.555 176.300 0.064 0.000 1.127 314 R CA 1.758 57.913 56.100 0.092 0.000 0.968 314 R CB -0.111 30.218 30.300 0.049 0.000 0.861 314 R HN 0.369 nan 8.270 nan 0.000 0.440 315 E N -0.487 119.731 120.200 0.031 0.000 2.150 315 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 315 E C 1.694 178.263 176.600 -0.052 0.000 0.985 315 E CA 1.102 57.498 56.400 -0.008 0.000 0.814 315 E CB 0.261 29.950 29.700 -0.019 0.000 0.752 315 E HN 0.183 nan 8.360 nan 0.000 0.466 316 V N -0.145 119.710 119.914 -0.098 0.000 2.379 316 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 316 V C 1.495 177.350 176.094 -0.399 0.000 1.035 316 V CA 1.366 63.489 62.300 -0.294 0.000 1.035 316 V CB -0.326 31.212 31.823 -0.475 0.000 0.673 316 V HN 0.284 nan 8.190 nan 0.000 0.457 317 F N 0.264 120.214 119.950 0.001 0.000 2.765 317 F HA 0.447 4.974 4.527 -0.000 0.000 0.302 317 F C 1.859 177.657 175.800 -0.004 0.000 1.111 317 F CA 0.537 58.536 58.000 -0.002 0.000 1.359 317 F CB -0.505 38.492 39.000 -0.006 0.000 1.097 317 F HN 0.262 nan 8.300 nan 0.000 0.577 318 G N 1.119 109.986 108.800 0.113 0.000 2.685 318 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.329 318 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.329 318 G C 0.866 175.817 174.900 0.085 0.000 1.271 318 G CA 1.104 46.248 45.100 0.074 0.000 1.003 318 G HN 0.270 nan 8.290 nan 0.000 0.549 319 D N 0.575 121.014 120.400 0.065 0.000 2.249 319 D HA 0.059 4.699 4.640 -0.000 0.000 0.205 319 D C 1.730 178.061 176.300 0.052 0.000 0.962 319 D CA 0.656 54.685 54.000 0.048 0.000 0.860 319 D CB 0.032 40.851 40.800 0.032 0.000 0.955 319 D HN 0.232 nan 8.370 nan 0.000 0.505 320 K N 1.833 122.282 120.400 0.081 0.000 3.006 320 K HA 0.065 4.385 4.320 -0.000 0.000 0.265 320 K C -0.235 176.397 176.600 0.053 0.000 1.279 320 K CA -0.078 56.252 56.287 0.072 0.000 1.229 320 K CB -0.611 31.949 32.500 0.099 0.000 1.555 320 K HN -0.078 nan 8.250 nan 0.000 0.300 321 S N 2.545 118.245 115.700 0.001 0.000 2.560 321 S HA 0.184 4.654 4.470 -0.000 0.000 0.284 321 S C -2.002 172.455 174.600 -0.240 0.000 1.327 321 S CA -0.884 57.243 58.200 -0.122 0.000 1.055 321 S CB 0.454 63.606 63.200 -0.080 0.000 0.868 321 S HN 0.323 nan 8.310 nan 0.000 0.506 322 P HA 0.380 nan 4.420 nan 0.000 0.281 322 P C -1.045 176.122 177.300 -0.222 0.000 1.281 322 P CA -0.733 62.151 63.100 -0.360 0.000 0.811 322 P CB 0.577 31.936 31.700 -0.569 0.000 1.154 323 A N 0.710 123.470 122.820 -0.101 0.000 2.477 323 A HA 0.451 4.771 4.320 -0.000 0.000 0.246 323 A C 0.238 177.808 177.584 -0.024 0.000 1.078 323 A CA -0.008 52.031 52.037 0.003 0.000 0.770 323 A CB -0.783 18.290 19.000 0.122 0.000 1.011 323 A HN 0.436 nan 8.150 nan 0.000 0.494 324 I N 1.516 122.081 120.570 -0.009 0.000 2.647 324 I HA 0.561 4.731 4.170 -0.000 0.000 0.295 324 I C -0.094 176.086 176.117 0.104 0.000 1.078 324 I CA -0.274 60.994 61.300 -0.053 0.000 1.048 324 I CB 2.572 40.501 38.000 -0.120 0.000 1.239 324 I HN 0.768 nan 8.210 nan 0.000 0.421 325 S N 3.598 119.394 115.700 0.159 0.000 2.548 325 S HA 0.775 5.245 4.470 -0.000 0.000 0.278 325 S C -1.088 173.634 174.600 0.203 0.000 1.150 325 S CA -0.797 57.546 58.200 0.237 0.000 0.907 325 S CB 1.740 65.111 63.200 0.286 0.000 1.108 325 S HN 0.821 nan 8.310 nan 0.000 0.459 326 A N 2.541 125.468 122.820 0.178 0.000 2.280 326 A HA 0.609 4.929 4.320 -0.000 0.000 0.320 326 A C 1.247 178.837 177.584 0.011 0.000 1.366 326 A CA -0.159 51.908 52.037 0.050 0.000 0.938 326 A CB -0.098 18.838 19.000 -0.106 0.000 1.157 326 A HN 1.447 nan 8.150 nan 0.000 0.536 327 T N 0.089 114.659 114.554 0.026 0.000 3.072 327 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 327 T C 1.322 175.991 174.700 -0.051 0.000 1.127 327 T CA 1.148 63.237 62.100 -0.020 0.000 1.107 327 T CB -0.275 68.581 68.868 -0.020 0.000 0.910 327 T HN 0.634 nan 8.240 nan 0.000 0.513 328 K N 1.120 121.479 120.400 -0.068 0.000 2.360 328 K HA 0.159 4.479 4.320 -0.000 0.000 0.201 328 K C 2.584 179.137 176.600 -0.078 0.000 1.046 328 K CA 0.861 57.094 56.287 -0.091 0.000 0.945 328 K CB -0.339 32.041 32.500 -0.200 0.000 0.750 328 K HN 0.493 nan 8.250 nan 0.000 0.464 329 A N 0.871 123.640 122.820 -0.084 0.000 2.019 329 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 329 A C 1.981 179.534 177.584 -0.051 0.000 1.164 329 A CA 1.367 53.362 52.037 -0.071 0.000 0.644 329 A CB -0.237 18.727 19.000 -0.060 0.000 0.805 329 A HN 0.198 nan 8.150 nan 0.000 0.449 330 M N -1.429 118.137 119.600 -0.056 0.000 2.556 330 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 330 M C 2.328 178.600 176.300 -0.047 0.000 1.163 330 M CA 1.606 56.872 55.300 -0.058 0.000 1.186 330 M CB -0.033 32.511 32.600 -0.093 0.000 1.321 330 M HN 0.582 nan 8.290 nan 0.000 0.485 331 T N -2.170 112.355 114.554 -0.048 0.000 3.044 331 T HA 0.422 4.772 4.350 -0.000 0.000 0.255 331 T C 1.058 175.771 174.700 0.022 0.000 1.073 331 T CA 0.534 62.627 62.100 -0.012 0.000 1.125 331 T CB -0.025 68.861 68.868 0.029 0.000 0.908 331 T HN 0.545 nan 8.240 nan 0.000 0.480 332 G N 0.946 109.760 108.800 0.024 0.000 2.710 332 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.668 332 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.668 332 G C -0.994 173.954 174.900 0.079 0.000 1.320 332 G CA -0.409 44.733 45.100 0.071 0.000 0.860 332 G HN 0.786 nan 8.290 nan 0.000 0.538 333 H N 0.781 119.839 119.070 -0.020 0.000 2.741 333 H HA 0.597 5.153 4.556 -0.000 0.000 0.282 333 H C 1.666 176.908 175.328 -0.144 0.000 1.122 333 H CA -0.012 55.936 56.048 -0.166 0.000 1.293 333 H CB 0.661 30.178 29.762 -0.408 0.000 1.415 333 H HN 0.838 nan 8.280 nan 0.000 0.472 334 S N 4.691 120.452 115.700 0.102 0.000 2.671 334 S HA 0.102 4.572 4.470 -0.000 0.000 0.220 334 S C 1.345 175.873 174.600 -0.120 0.000 0.951 334 S CA 0.079 58.260 58.200 -0.032 0.000 0.932 334 S CB -0.544 62.645 63.200 -0.020 0.000 0.777 334 S HN 0.722 nan 8.310 nan 0.000 0.508 335 L N -0.037 120.999 121.223 -0.311 0.000 4.782 335 L HA -0.351 3.989 4.340 -0.000 0.000 0.053 335 L C 2.255 179.057 176.870 -0.113 0.000 3.426 335 L CA 1.490 56.087 54.840 -0.405 0.000 1.357 335 L CB -2.079 39.739 42.059 -0.402 0.000 3.081 335 L HN 0.430 nan 8.230 nan 0.000 0.912 336 G N -1.123 107.632 108.800 -0.075 0.000 2.470 336 G HA2 0.057 4.017 3.960 -0.000 0.000 0.220 336 G HA3 0.057 4.017 3.960 -0.000 0.000 0.220 336 G C 1.246 176.139 174.900 -0.012 0.000 1.121 336 G CA 1.236 46.327 45.100 -0.016 0.000 0.766 336 G HN 0.848 nan 8.290 nan 0.000 0.553 337 A N 0.262 123.069 122.820 -0.022 0.000 2.238 337 A HA 0.662 4.982 4.320 -0.000 0.000 0.210 337 A C 2.520 180.070 177.584 -0.056 0.000 1.179 337 A CA 1.237 53.254 52.037 -0.033 0.000 0.827 337 A CB -0.176 18.808 19.000 -0.028 0.000 0.856 337 A HN 0.503 nan 8.150 nan 0.000 0.488 338 A N 0.170 122.974 122.820 -0.027 0.000 1.902 338 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 338 A C 2.342 179.882 177.584 -0.073 0.000 1.181 338 A CA 1.915 53.940 52.037 -0.020 0.000 0.623 338 A CB -1.309 17.735 19.000 0.073 0.000 0.818 338 A HN 0.681 nan 8.150 nan 0.000 0.443 339 G N -0.813 107.946 108.800 -0.069 0.000 2.491 339 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 339 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 339 G C 1.671 176.488 174.900 -0.137 0.000 1.180 339 G CA 1.466 46.503 45.100 -0.104 0.000 0.774 339 G HN 0.660 nan 8.290 nan 0.000 0.562 340 V N 0.054 119.885 119.914 -0.138 0.000 2.488 340 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 340 V C 2.714 178.653 176.094 -0.258 0.000 1.046 340 V CA 2.367 64.566 62.300 -0.169 0.000 1.053 340 V CB -0.223 31.521 31.823 -0.132 0.000 0.679 340 V HN 0.513 nan 8.190 nan 0.000 0.458 341 Q N -0.365 119.252 119.800 -0.305 0.000 2.084 341 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 341 Q C 2.166 177.596 176.000 -0.951 0.000 0.978 341 Q CA 2.173 57.633 55.803 -0.572 0.000 0.844 341 Q CB -0.135 28.337 28.738 -0.445 0.000 0.898 341 Q HN 0.705 nan 8.270 nan 0.000 0.426 342 E N 0.215 120.108 120.200 -0.513 0.000 2.208 342 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 342 E C 1.808 178.300 176.600 -0.179 0.000 0.988 342 E CA 0.702 56.937 56.400 -0.274 0.000 0.828 342 E CB 0.027 29.689 29.700 -0.063 0.000 0.763 342 E HN 0.336 nan 8.360 nan 0.000 0.478 343 A N 0.718 123.415 122.820 -0.205 0.000 1.929 343 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 343 A C 2.079 179.570 177.584 -0.155 0.000 1.176 343 A CA 0.779 52.733 52.037 -0.139 0.000 0.628 343 A CB -0.341 18.572 19.000 -0.144 0.000 0.816 343 A HN 0.146 nan 8.150 nan 0.000 0.444 344 I N -1.437 118.979 120.570 -0.257 0.000 2.252 344 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 344 I C 2.218 178.285 176.117 -0.084 0.000 1.102 344 I CA 1.126 62.288 61.300 -0.230 0.000 1.385 344 I CB -0.410 37.415 38.000 -0.291 0.000 1.064 344 I HN 0.363 nan 8.210 nan 0.000 0.414 345 Y N 0.859 121.134 120.300 -0.042 0.000 2.224 345 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 345 Y C 2.928 178.800 175.900 -0.048 0.000 1.146 345 Y CA 0.812 58.895 58.100 -0.027 0.000 1.182 345 Y CB -1.337 37.116 38.460 -0.011 0.000 0.983 345 Y HN 0.109 nan 8.280 nan 0.000 0.524 346 S N 0.038 115.815 115.700 0.128 0.000 2.368 346 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 346 S C 2.165 176.778 174.600 0.022 0.000 1.029 346 S CA 1.031 59.288 58.200 0.094 0.000 0.988 346 S CB -0.610 62.664 63.200 0.124 0.000 0.838 346 S HN 0.357 nan 8.310 nan 0.000 0.462 347 L N 1.036 122.261 121.223 0.003 0.000 2.083 347 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 347 L C 2.168 179.084 176.870 0.076 0.000 1.083 347 L CA 0.944 55.785 54.840 0.003 0.000 0.752 347 L CB -0.518 41.473 42.059 -0.113 0.000 0.899 347 L HN 0.299 nan 8.230 nan 0.000 0.433 348 L N -1.148 120.133 121.223 0.097 0.000 2.093 348 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 348 L C 2.597 179.581 176.870 0.191 0.000 1.085 348 L CA 1.172 56.165 54.840 0.255 0.000 0.755 348 L CB -0.311 41.896 42.059 0.247 0.000 0.904 348 L HN 0.319 nan 8.230 nan 0.000 0.435 349 M N -0.862 118.654 119.600 -0.139 0.000 2.175 349 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 349 M C 2.268 178.432 176.300 -0.226 0.000 1.063 349 M CA 1.458 56.436 55.300 -0.537 0.000 1.119 349 M CB -0.246 31.897 32.600 -0.762 0.000 1.377 349 M HN 0.208 nan 8.290 nan 0.000 0.415 350 L N 0.561 121.732 121.223 -0.086 0.000 2.093 350 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 350 L C 2.218 179.096 176.870 0.013 0.000 1.085 350 L CA 1.920 56.747 54.840 -0.022 0.000 0.755 350 L CB -0.492 41.577 42.059 0.017 0.000 0.904 350 L HN 0.187 nan 8.230 nan 0.000 0.435 351 E N -1.046 119.187 120.200 0.054 0.000 2.072 351 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 351 E C 1.700 178.187 176.600 -0.187 0.000 0.985 351 E CA 1.554 57.938 56.400 -0.028 0.000 0.801 351 E CB -0.126 29.608 29.700 0.057 0.000 0.750 351 E HN 0.634 nan 8.360 nan 0.000 0.452 352 H N -1.249 117.916 119.070 0.158 0.000 2.549 352 H HA 0.278 4.834 4.556 -0.000 0.000 0.279 352 H C 0.538 176.001 175.328 0.225 0.000 1.018 352 H CA 0.442 56.615 56.048 0.208 0.000 1.175 352 H CB 0.514 30.465 29.762 0.314 0.000 1.485 352 H HN 0.299 nan 8.280 nan 0.000 0.543 353 G N 2.048 110.959 108.800 0.185 0.000 2.350 353 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.298 353 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.298 353 G C -0.204 174.818 174.900 0.204 0.000 1.037 353 G CA 0.806 45.983 45.100 0.128 0.000 1.074 353 G HN 0.532 nan 8.290 nan 0.000 0.511 354 F N -1.871 118.066 119.950 -0.022 0.000 2.686 354 F HA 0.809 5.336 4.527 -0.000 0.000 0.311 354 F C -0.897 174.813 175.800 -0.151 0.000 1.128 354 F CA -2.339 55.625 58.000 -0.061 0.000 0.946 354 F CB 1.188 40.165 39.000 -0.039 0.000 1.336 354 F HN 0.032 nan 8.300 nan 0.000 0.457 355 I N 3.012 123.474 120.570 -0.181 0.000 2.382 355 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 355 I C 0.190 176.235 176.117 -0.120 0.000 1.002 355 I CA -1.062 59.989 61.300 -0.415 0.000 1.135 355 I CB 1.491 39.341 38.000 -0.250 0.000 1.288 355 I HN 0.971 nan 8.210 nan 0.000 0.448 356 A N 9.509 132.184 122.820 -0.240 0.000 2.498 356 A HA 0.370 4.690 4.320 -0.000 0.000 0.239 356 A C -2.283 175.324 177.584 0.038 0.000 1.068 356 A CA -0.786 51.289 52.037 0.063 0.000 0.766 356 A CB -0.434 18.565 19.000 -0.002 0.000 1.003 356 A HN 0.440 nan 8.150 nan 0.000 0.497 357 P HA 0.135 nan 4.420 nan 0.000 0.278 357 P C -0.379 176.955 177.300 0.055 0.000 1.238 357 P CA -0.236 62.897 63.100 0.055 0.000 0.794 357 P CB 1.266 32.991 31.700 0.041 0.000 0.955 358 S N 3.005 118.752 115.700 0.077 0.000 2.409 358 S HA 0.359 4.829 4.470 -0.000 0.000 0.308 358 S C 0.629 175.265 174.600 0.061 0.000 1.080 358 S CA -0.825 57.428 58.200 0.089 0.000 1.081 358 S CB -1.331 61.964 63.200 0.159 0.000 1.009 358 S HN 0.355 nan 8.310 nan 0.000 0.502 359 I N 2.168 122.754 120.570 0.027 0.000 3.110 359 I HA 0.491 4.661 4.170 -0.000 0.000 0.314 359 I C 0.390 176.509 176.117 0.003 0.000 1.020 359 I CA -0.618 60.689 61.300 0.012 0.000 1.169 359 I CB 0.359 38.355 38.000 -0.006 0.000 1.437 359 I HN 0.546 nan 8.210 nan 0.000 0.595 360 N N 1.043 119.740 118.700 -0.004 0.000 2.741 360 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 360 N C -0.503 175.011 175.510 0.006 0.000 1.112 360 N CA 0.927 53.967 53.050 -0.018 0.000 0.750 360 N CB -1.452 36.998 38.487 -0.062 0.000 1.119 360 N HN 0.603 nan 8.380 nan 0.000 0.561 361 I N 1.387 121.979 120.570 0.036 0.000 2.256 361 I HA 0.042 4.212 4.170 -0.000 0.000 0.294 361 I C 1.449 177.602 176.117 0.061 0.000 1.127 361 I CA -0.021 61.318 61.300 0.065 0.000 1.247 361 I CB 0.365 38.419 38.000 0.089 0.000 1.460 361 I HN 0.035 nan 8.210 nan 0.000 0.511 362 E N 3.786 124.028 120.200 0.069 0.000 2.122 362 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 362 E C 0.564 177.216 176.600 0.086 0.000 0.977 362 E CA 0.646 57.087 56.400 0.068 0.000 0.820 362 E CB 0.438 30.177 29.700 0.065 0.000 0.770 362 E HN 0.506 nan 8.360 nan 0.000 0.462 363 E N 1.297 121.569 120.200 0.120 0.000 2.460 363 E HA 0.133 4.483 4.350 -0.000 0.000 0.249 363 E C -1.279 175.380 176.600 0.097 0.000 0.962 363 E CA -0.565 55.906 56.400 0.118 0.000 0.787 363 E CB 0.915 30.723 29.700 0.179 0.000 1.341 363 E HN -0.059 nan 8.360 nan 0.000 0.407 364 L N 3.675 124.943 121.223 0.074 0.000 2.559 364 L HA 0.010 4.350 4.340 -0.000 0.000 0.282 364 L C 0.261 177.163 176.870 0.053 0.000 1.232 364 L CA 0.841 55.720 54.840 0.066 0.000 0.885 364 L CB 0.496 42.579 42.059 0.039 0.000 1.131 364 L HN 0.534 nan 8.230 nan 0.000 0.498 365 D N 3.495 123.934 120.400 0.064 0.000 2.424 365 D HA -0.035 4.605 4.640 -0.000 0.000 0.244 365 D C 0.835 177.150 176.300 0.026 0.000 1.134 365 D CA 0.099 54.127 54.000 0.046 0.000 0.881 365 D CB 0.900 41.750 40.800 0.083 0.000 1.191 365 D HN 0.679 nan 8.370 nan 0.000 0.445 366 E N 2.156 122.367 120.200 0.017 0.000 2.097 366 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 366 E C 1.511 178.116 176.600 0.008 0.000 1.000 366 E CA 1.025 57.431 56.400 0.011 0.000 0.804 366 E CB 0.052 29.758 29.700 0.010 0.000 0.740 366 E HN 0.603 nan 8.360 nan 0.000 0.454 367 Q N -0.383 119.425 119.800 0.015 0.000 2.561 367 Q HA -0.031 4.309 4.340 -0.000 0.000 0.217 367 Q C 1.503 177.500 176.000 -0.005 0.000 0.980 367 Q CA 0.593 56.404 55.803 0.014 0.000 0.927 367 Q CB 0.135 28.891 28.738 0.030 0.000 0.980 367 Q HN 0.191 nan 8.270 nan 0.000 0.525 368 A N 0.440 123.247 122.820 -0.023 0.000 2.267 368 A HA 0.405 4.725 4.320 -0.000 0.000 0.213 368 A C 0.970 178.516 177.584 -0.063 0.000 1.192 368 A CA 0.067 52.056 52.037 -0.080 0.000 0.851 368 A CB 0.194 19.120 19.000 -0.122 0.000 0.881 368 A HN 0.291 nan 8.150 nan 0.000 0.494 369 A N -0.567 122.235 122.820 -0.030 0.000 2.565 369 A HA 0.401 4.721 4.320 -0.000 0.000 0.237 369 A C 1.662 179.232 177.584 -0.023 0.000 1.053 369 A CA 0.821 52.846 52.037 -0.021 0.000 0.755 369 A CB -0.688 18.307 19.000 -0.007 0.000 0.980 369 A HN 2.006 nan 8.150 nan 0.000 0.506 370 G N 0.616 109.403 108.800 -0.022 0.000 2.162 370 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 370 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 370 G C -0.025 174.858 174.900 -0.029 0.000 0.976 370 G CA 0.478 45.567 45.100 -0.018 0.000 0.655 370 G HN 0.873 nan 8.290 nan 0.000 0.533 371 L N 0.395 121.587 121.223 -0.052 0.000 2.322 371 L HA 0.409 4.749 4.340 -0.000 0.000 0.281 371 L C 0.187 177.009 176.870 -0.080 0.000 1.014 371 L CA -1.110 53.685 54.840 -0.075 0.000 0.815 371 L CB 1.633 43.622 42.059 -0.117 0.000 1.247 371 L HN 0.101 nan 8.230 nan 0.000 0.421 372 N N 4.409 123.063 118.700 -0.076 0.000 2.549 372 N HA 0.168 4.908 4.740 -0.000 0.000 0.267 372 N C -0.668 174.805 175.510 -0.061 0.000 1.182 372 N CA 0.119 53.134 53.050 -0.058 0.000 1.019 372 N CB -0.085 38.373 38.487 -0.049 0.000 1.380 372 N HN 0.454 nan 8.380 nan 0.000 0.505 373 I N 3.512 124.044 120.570 -0.063 0.000 2.287 373 I HA 0.114 4.284 4.170 -0.000 0.000 0.290 373 I C 0.058 176.180 176.117 0.007 0.000 1.069 373 I CA -0.894 60.375 61.300 -0.051 0.000 1.237 373 I CB 1.008 38.942 38.000 -0.110 0.000 1.418 373 I HN 0.033 nan 8.210 nan 0.000 0.481 374 V N 5.942 125.881 119.914 0.041 0.000 2.458 374 V HA -0.055 4.065 4.120 -0.000 0.000 0.287 374 V C 1.439 177.569 176.094 0.061 0.000 1.009 374 V CA 0.694 63.026 62.300 0.053 0.000 1.091 374 V CB 0.641 32.508 31.823 0.073 0.000 0.960 374 V HN 0.887 nan 8.190 nan 0.000 0.476 375 T N 0.871 115.452 114.554 0.046 0.000 3.085 375 T HA 0.287 4.637 4.350 -0.000 0.000 0.264 375 T C 0.166 174.888 174.700 0.037 0.000 1.019 375 T CA -0.163 61.965 62.100 0.047 0.000 0.910 375 T CB -0.177 68.716 68.868 0.041 0.000 1.059 375 T HN 0.837 nan 8.240 nan 0.000 0.542 376 E N 0.173 120.395 120.200 0.036 0.000 2.321 376 E HA 0.397 4.747 4.350 -0.000 0.000 0.278 376 E C -1.391 175.233 176.600 0.039 0.000 0.902 376 E CA -1.053 55.365 56.400 0.029 0.000 0.758 376 E CB 0.847 30.559 29.700 0.020 0.000 1.213 376 E HN -0.081 nan 8.360 nan 0.000 0.426 377 T N 2.714 117.291 114.554 0.039 0.000 2.765 377 T HA 0.041 4.391 4.350 -0.000 0.000 0.275 377 T C -0.384 174.356 174.700 0.066 0.000 1.007 377 T CA 0.633 62.773 62.100 0.068 0.000 1.175 377 T CB -0.014 68.860 68.868 0.010 0.000 0.993 377 T HN 0.465 nan 8.240 nan 0.000 0.510 378 T N 4.363 118.979 114.554 0.104 0.000 2.890 378 T HA 0.219 4.569 4.350 -0.000 0.000 0.295 378 T C -0.443 174.321 174.700 0.107 0.000 0.993 378 T CA -0.932 61.213 62.100 0.074 0.000 0.979 378 T CB 1.067 69.961 68.868 0.042 0.000 0.967 378 T HN 0.474 nan 8.240 nan 0.000 0.441 379 D N 3.182 123.634 120.400 0.086 0.000 2.348 379 D HA 0.366 5.006 4.640 -0.000 0.000 0.253 379 D C 0.353 176.692 176.300 0.064 0.000 1.161 379 D CA 0.151 54.211 54.000 0.100 0.000 0.876 379 D CB 1.298 42.136 40.800 0.063 0.000 1.160 379 D HN 0.394 nan 8.370 nan 0.000 0.459 380 R N 1.152 121.689 120.500 0.062 0.000 2.664 380 R HA 0.104 4.444 4.340 -0.000 0.000 0.266 380 R C -1.315 174.999 176.300 0.024 0.000 1.046 380 R CA -0.625 55.493 56.100 0.030 0.000 0.885 380 R CB 1.560 31.867 30.300 0.012 0.000 1.254 380 R HN 0.264 nan 8.270 nan 0.000 0.465 381 E N 3.546 123.757 120.200 0.017 0.000 1.893 381 E HA 0.187 4.537 4.350 -0.000 0.000 0.269 381 E C -0.530 176.074 176.600 0.007 0.000 1.129 381 E CA -0.212 56.197 56.400 0.014 0.000 0.904 381 E CB 0.387 30.095 29.700 0.013 0.000 1.077 381 E HN 0.295 nan 8.360 nan 0.000 0.407 382 L N 2.452 123.673 121.223 -0.002 0.000 2.418 382 L HA 0.282 4.622 4.340 -0.000 0.000 0.265 382 L C 1.047 177.922 176.870 0.009 0.000 1.143 382 L CA -0.183 54.657 54.840 -0.000 0.000 0.809 382 L CB 1.332 43.377 42.059 -0.023 0.000 1.124 382 L HN 0.480 nan 8.230 nan 0.000 0.456 383 T N -1.698 112.867 114.554 0.018 0.000 3.168 383 T HA 0.080 4.430 4.350 -0.000 0.000 0.261 383 T C 0.139 174.854 174.700 0.025 0.000 0.931 383 T CA 0.188 62.298 62.100 0.017 0.000 0.949 383 T CB 0.764 69.642 68.868 0.015 0.000 1.229 383 T HN 0.597 nan 8.240 nan 0.000 0.504 384 T N 2.920 117.495 114.554 0.034 0.000 2.881 384 T HA 0.665 5.015 4.350 -0.000 0.000 0.291 384 T C -0.804 173.930 174.700 0.057 0.000 0.990 384 T CA -0.649 61.476 62.100 0.042 0.000 0.976 384 T CB 1.959 70.853 68.868 0.042 0.000 0.970 384 T HN 0.233 nan 8.240 nan 0.000 0.438 385 V N 1.434 121.386 119.914 0.063 0.000 2.769 385 V HA 0.854 4.974 4.120 -0.000 0.000 0.312 385 V C -0.556 175.563 176.094 0.041 0.000 1.061 385 V CA -1.161 61.188 62.300 0.082 0.000 0.931 385 V CB 2.107 34.019 31.823 0.148 0.000 1.010 385 V HN 0.956 nan 8.190 nan 0.000 0.433 386 M N 3.123 122.718 119.600 -0.009 0.000 2.530 386 M HA 0.756 5.236 4.480 -0.000 0.000 0.307 386 M C -0.902 175.354 176.300 -0.073 0.000 1.161 386 M CA -0.295 54.997 55.300 -0.013 0.000 0.903 386 M CB 2.224 34.842 32.600 0.029 0.000 1.711 386 M HN 0.990 nan 8.290 nan 0.000 0.451 387 S N 3.143 118.812 115.700 -0.052 0.000 2.672 387 S HA 0.570 5.040 4.470 -0.000 0.000 0.291 387 S C -1.536 172.990 174.600 -0.125 0.000 1.145 387 S CA -0.804 57.343 58.200 -0.088 0.000 1.013 387 S CB 1.003 64.164 63.200 -0.065 0.000 1.017 387 S HN 0.840 nan 8.310 nan 0.000 0.487 388 N N 2.112 120.693 118.700 -0.199 0.000 2.456 388 N HA 0.577 5.317 4.740 -0.000 0.000 0.296 388 N C -1.263 173.880 175.510 -0.612 0.000 1.102 388 N CA -0.412 52.372 53.050 -0.443 0.000 0.924 388 N CB 1.809 39.964 38.487 -0.552 0.000 1.186 388 N HN 0.480 nan 8.380 nan 0.000 0.492 389 S N 1.383 116.562 115.700 -0.869 0.000 2.736 389 S HA 0.537 5.007 4.470 -0.000 0.000 0.285 389 S C -1.415 172.677 174.600 -0.848 0.000 1.163 389 S CA -0.601 57.159 58.200 -0.734 0.000 1.025 389 S CB 0.290 63.284 63.200 -0.344 0.000 1.030 389 S HN 0.286 nan 8.310 nan 0.000 0.486 390 F N 1.413 120.878 119.950 -0.807 0.000 2.507 390 F HA 0.766 5.293 4.527 -0.000 0.000 0.328 390 F C 0.727 176.331 175.800 -0.326 0.000 1.136 390 F CA -0.928 56.798 58.000 -0.456 0.000 0.930 390 F CB 1.656 40.458 39.000 -0.329 0.000 1.166 390 F HN 0.627 nan 8.300 nan 0.000 0.436 391 G N 1.684 110.562 108.800 0.131 0.000 2.644 391 G HA2 0.569 4.529 3.960 -0.000 0.000 0.307 391 G HA3 0.569 4.529 3.960 -0.000 0.000 0.307 391 G C -0.862 174.254 174.900 0.360 0.000 1.250 391 G CA -0.891 44.325 45.100 0.192 0.000 0.996 391 G HN 0.462 nan 8.290 nan 0.000 0.489 392 F N -0.035 120.009 119.950 0.156 0.000 2.628 392 F HA 0.255 4.782 4.527 -0.000 0.000 0.362 392 F C 1.702 177.564 175.800 0.103 0.000 1.148 392 F CA 1.299 59.382 58.000 0.138 0.000 1.352 392 F CB 0.812 39.904 39.000 0.153 0.000 1.081 392 F HN 0.838 nan 8.300 nan 0.000 0.605 393 G N 1.211 110.148 108.800 0.229 0.000 2.157 393 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.239 393 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.239 393 G C 0.697 175.661 174.900 0.106 0.000 0.982 393 G CA 0.066 45.247 45.100 0.135 0.000 0.650 393 G HN 1.765 nan 8.290 nan 0.000 0.527 394 G N -1.045 107.828 108.800 0.121 0.000 2.249 394 G HA2 0.054 4.014 3.960 -0.000 0.000 0.273 394 G HA3 0.054 4.014 3.960 -0.000 0.000 0.273 394 G C 0.411 175.368 174.900 0.094 0.000 1.036 394 G CA 1.433 46.582 45.100 0.082 0.000 0.824 394 G HN 1.986 nan 8.290 nan 0.000 0.504 395 T N 0.459 115.103 114.554 0.149 0.000 2.767 395 T HA 0.555 4.905 4.350 -0.000 0.000 0.288 395 T C 0.135 174.981 174.700 0.244 0.000 0.963 395 T CA -0.524 61.687 62.100 0.186 0.000 1.019 395 T CB 0.289 69.285 68.868 0.213 0.000 0.923 395 T HN 0.337 nan 8.240 nan 0.000 0.468 396 N N 2.837 121.692 118.700 0.258 0.000 2.272 396 N HA 0.732 5.472 4.740 -0.000 0.000 0.305 396 N C -1.297 174.353 175.510 0.234 0.000 1.103 396 N CA -0.683 52.561 53.050 0.323 0.000 0.791 396 N CB 2.137 40.785 38.487 0.269 0.000 1.356 396 N HN 0.753 nan 8.380 nan 0.000 0.486 397 A N 0.587 123.456 122.820 0.082 0.000 2.459 397 A HA 0.700 5.020 4.320 -0.000 0.000 0.296 397 A C -0.975 176.582 177.584 -0.045 0.000 1.039 397 A CA -0.503 51.494 52.037 -0.066 0.000 0.698 397 A CB 1.351 20.051 19.000 -0.500 0.000 1.261 397 A HN 0.449 nan 8.150 nan 0.000 0.405 398 T N 2.377 116.961 114.554 0.050 0.000 2.916 398 T HA 0.626 4.976 4.350 -0.000 0.000 0.298 398 T C -0.913 173.855 174.700 0.114 0.000 1.031 398 T CA -0.270 61.857 62.100 0.044 0.000 0.993 398 T CB 0.962 69.877 68.868 0.079 0.000 1.045 398 T HN 0.508 nan 8.240 nan 0.000 0.454 399 L N 2.754 124.014 121.223 0.060 0.000 2.362 399 L HA 0.745 5.085 4.340 -0.000 0.000 0.275 399 L C -0.828 176.072 176.870 0.049 0.000 0.998 399 L CA -1.141 53.742 54.840 0.072 0.000 0.820 399 L CB 2.065 44.128 42.059 0.007 0.000 1.270 399 L HN 0.334 nan 8.230 nan 0.000 0.415 400 V N 4.132 124.084 119.914 0.064 0.000 2.409 400 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 400 V C -0.090 176.028 176.094 0.040 0.000 1.020 400 V CA -0.314 62.018 62.300 0.054 0.000 0.848 400 V CB 1.730 33.594 31.823 0.069 0.000 0.990 400 V HN 0.716 nan 8.190 nan 0.000 0.430 401 M N 5.259 124.877 119.600 0.031 0.000 2.393 401 M HA 0.659 5.139 4.480 -0.000 0.000 0.316 401 M C -0.518 175.798 176.300 0.027 0.000 1.087 401 M CA -0.403 54.910 55.300 0.021 0.000 0.937 401 M CB 2.548 35.154 32.600 0.009 0.000 1.668 401 M HN 0.570 nan 8.290 nan 0.000 0.438 402 R N 1.536 122.048 120.500 0.020 0.000 2.673 402 R HA 0.476 4.816 4.340 -0.000 0.000 0.281 402 R C -1.079 175.227 176.300 0.010 0.000 0.991 402 R CA -0.808 55.303 56.100 0.019 0.000 0.896 402 R CB 2.000 32.312 30.300 0.019 0.000 1.201 402 R HN 0.647 nan 8.270 nan 0.000 0.457 403 K N 2.086 122.491 120.400 0.009 0.000 2.469 403 K HA -0.026 4.294 4.320 -0.000 0.000 0.274 403 K C -0.292 176.304 176.600 -0.007 0.000 0.983 403 K CA -0.069 56.217 56.287 -0.001 0.000 0.974 403 K CB 0.348 32.847 32.500 -0.001 0.000 0.913 403 K HN 0.257 nan 8.250 nan 0.000 0.493 404 L N 4.458 125.670 121.223 -0.018 0.000 2.325 404 L HA 0.052 4.392 4.340 -0.000 0.000 0.284 404 L C -0.590 176.271 176.870 -0.015 0.000 1.089 404 L CA -0.292 54.536 54.840 -0.019 0.000 0.836 404 L CB 0.084 42.124 42.059 -0.031 0.000 1.184 404 L HN 0.374 nan 8.230 nan 0.000 0.444 405 K N 3.882 124.277 120.400 -0.009 0.000 2.321 405 K HA 0.077 4.397 4.320 -0.000 0.000 0.266 405 K C 0.153 176.747 176.600 -0.009 0.000 1.215 405 K CA 0.601 56.884 56.287 -0.007 0.000 1.225 405 K CB -0.665 31.832 32.500 -0.005 0.000 0.827 405 K HN 0.715 nan 8.250 nan 0.000 0.478 406 D N 0.000 120.394 120.400 -0.010 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 406 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683