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 2wpd_1_E DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA EAN 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.608 174.600 0.013 0.000 1.055 6 S CA 0.000 58.206 58.200 0.011 0.000 1.107 6 S CB 0.000 63.206 63.200 0.010 0.000 0.593 7 T N 1.939 116.502 114.554 0.015 0.000 3.255 7 T HA 0.490 4.841 4.350 0.002 0.000 0.243 7 T C -2.726 171.989 174.700 0.025 0.000 1.057 7 T CA -0.949 61.162 62.100 0.019 0.000 1.121 7 T CB -0.104 68.774 68.868 0.016 0.000 1.104 7 T HN 0.306 nan 8.240 nan 0.000 0.571 8 P HA 0.525 nan 4.420 nan 0.000 0.292 8 P C -0.614 176.713 177.300 0.046 0.000 1.326 8 P CA -0.546 62.573 63.100 0.031 0.000 0.787 8 P CB 1.091 32.804 31.700 0.022 0.000 0.903 9 I N 2.815 123.426 120.570 0.068 0.000 2.321 9 I HA 0.298 4.469 4.170 0.002 0.000 0.291 9 I C 0.355 176.542 176.117 0.116 0.000 0.998 9 I CA -0.076 61.294 61.300 0.116 0.000 1.227 9 I CB 1.474 39.567 38.000 0.155 0.000 1.368 9 I HN 0.262 nan 8.210 nan 0.000 0.466 10 T N 3.878 118.472 114.554 0.068 0.000 2.907 10 T HA 0.771 5.122 4.350 0.002 0.000 0.292 10 T C 0.010 174.545 174.700 -0.275 0.000 1.043 10 T CA -0.726 61.335 62.100 -0.065 0.000 1.003 10 T CB 2.217 71.053 68.868 -0.054 0.000 1.084 10 T HN 0.829 nan 8.240 nan 0.000 0.483 11 G N 0.953 109.425 108.800 -0.546 0.000 2.788 11 G HA2 0.745 4.706 3.960 0.002 0.000 0.293 11 G HA3 0.745 4.706 3.960 0.002 0.000 0.293 11 G C -1.943 172.701 174.900 -0.428 0.000 1.392 11 G CA -0.893 43.720 45.100 -0.811 0.000 0.810 11 G HN 0.567 nan 8.290 nan 0.000 0.508 12 K N 0.054 120.274 120.400 -0.300 0.000 2.482 12 K HA 0.484 4.805 4.320 0.002 0.000 0.251 12 K C -0.851 175.698 176.600 -0.085 0.000 0.936 12 K CA -0.730 55.466 56.287 -0.152 0.000 0.791 12 K CB 2.995 35.430 32.500 -0.108 0.000 1.213 12 K HN 0.280 nan 8.250 nan 0.000 0.428 13 V N 2.784 122.661 119.914 -0.063 0.000 2.540 13 V HA -0.048 4.073 4.120 0.002 0.000 0.297 13 V C 1.383 177.472 176.094 -0.008 0.000 1.024 13 V CA 0.720 63.008 62.300 -0.020 0.000 1.105 13 V CB 0.600 32.414 31.823 -0.014 0.000 0.938 13 V HN 1.060 nan 8.190 nan 0.000 0.482 14 T N 0.914 115.478 114.554 0.018 0.000 2.971 14 T HA 0.561 4.912 4.350 0.002 0.000 0.252 14 T C 0.377 175.088 174.700 0.018 0.000 1.022 14 T CA 0.474 62.584 62.100 0.017 0.000 0.980 14 T CB 0.568 69.464 68.868 0.046 0.000 1.044 14 T HN 1.001 nan 8.240 nan 0.000 0.501 15 A N 0.706 123.540 122.820 0.023 0.000 2.488 15 A HA 0.695 5.016 4.320 0.002 0.000 0.298 15 A C -1.426 176.169 177.584 0.018 0.000 1.044 15 A CA -0.672 51.377 52.037 0.020 0.000 0.693 15 A CB 1.930 20.945 19.000 0.026 0.000 1.272 15 A HN 0.285 nan 8.150 nan 0.000 0.402 16 V N 3.402 123.324 119.914 0.013 0.000 2.419 16 V HA 0.465 4.586 4.120 0.002 0.000 0.287 16 V C -0.745 175.355 176.094 0.010 0.000 1.017 16 V CA -0.006 62.301 62.300 0.012 0.000 0.844 16 V CB 0.980 32.808 31.823 0.008 0.000 1.011 16 V HN 0.718 nan 8.190 nan 0.000 0.429 17 I N 4.580 125.156 120.570 0.011 0.000 2.521 17 I HA 0.626 4.797 4.170 0.002 0.000 0.277 17 I C 0.997 177.118 176.117 0.008 0.000 1.054 17 I CA -0.069 61.236 61.300 0.009 0.000 1.117 17 I CB 1.361 39.367 38.000 0.009 0.000 1.217 17 I HN 0.815 nan 8.210 nan 0.000 0.469 18 G N 4.611 113.415 108.800 0.006 0.000 2.574 18 G HA2 -0.335 3.626 3.960 0.002 0.000 0.286 18 G HA3 -0.335 3.626 3.960 0.002 0.000 0.286 18 G C 0.800 175.704 174.900 0.007 0.000 1.212 18 G CA 0.360 45.462 45.100 0.005 0.000 0.979 18 G HN 0.833 nan 8.290 nan 0.000 0.557 19 A N -0.503 122.321 122.820 0.006 0.000 2.252 19 A HA 0.506 4.827 4.320 0.002 0.000 0.207 19 A C 0.906 178.498 177.584 0.013 0.000 1.194 19 A CA 0.898 52.940 52.037 0.009 0.000 0.809 19 A CB -0.196 18.807 19.000 0.007 0.000 0.814 19 A HN 0.657 nan 8.150 nan 0.000 0.482 20 I N 1.327 121.905 120.570 0.013 0.000 2.328 20 I HA 0.322 4.493 4.170 0.002 0.000 0.287 20 I C -0.620 175.511 176.117 0.023 0.000 1.012 20 I CA -0.478 60.833 61.300 0.018 0.000 1.195 20 I CB 0.962 38.971 38.000 0.015 0.000 1.350 20 I HN -0.146 nan 8.210 nan 0.000 0.464 21 V N 5.582 125.514 119.914 0.030 0.000 2.555 21 V HA 0.445 4.567 4.120 0.002 0.000 0.302 21 V C -0.359 175.763 176.094 0.047 0.000 1.038 21 V CA -0.781 61.539 62.300 0.034 0.000 0.887 21 V CB 2.602 34.445 31.823 0.034 0.000 0.991 21 V HN 0.547 nan 8.190 nan 0.000 0.434 22 D N 3.088 123.517 120.400 0.048 0.000 2.381 22 D HA 0.504 5.145 4.640 0.002 0.000 0.235 22 D C -0.646 175.701 176.300 0.078 0.000 1.068 22 D CA -0.053 53.985 54.000 0.064 0.000 0.832 22 D CB 2.350 43.184 40.800 0.056 0.000 1.101 22 D HN 0.234 nan 8.370 nan 0.000 0.515 23 V N 2.337 122.323 119.914 0.120 0.000 2.630 23 V HA 0.217 4.339 4.120 0.002 0.000 0.305 23 V C 0.053 176.258 176.094 0.184 0.000 1.046 23 V CA -0.734 61.638 62.300 0.120 0.000 0.934 23 V CB 2.261 34.183 31.823 0.166 0.000 1.003 23 V HN 0.547 nan 8.190 nan 0.000 0.451 24 H N 3.383 122.440 119.070 -0.021 0.000 2.551 24 H HA 0.531 5.088 4.556 0.002 0.000 0.321 24 H C -1.506 173.773 175.328 -0.082 0.000 1.028 24 H CA -0.417 55.648 56.048 0.028 0.000 1.215 24 H CB 1.110 30.864 29.762 -0.014 0.000 1.414 24 H HN 0.434 nan 8.280 nan 0.000 0.480 25 F N 1.417 121.254 119.950 -0.188 0.000 2.525 25 F HA 0.243 4.771 4.527 0.002 0.000 0.346 25 F C 0.969 176.725 175.800 -0.073 0.000 1.072 25 F CA -0.869 57.088 58.000 -0.073 0.000 1.033 25 F CB 0.510 39.442 39.000 -0.114 0.000 1.324 25 F HN 0.415 nan 8.300 nan 0.000 0.491 26 E N 0.780 121.096 120.200 0.194 0.000 2.390 26 E HA 0.074 4.425 4.350 0.002 0.000 0.261 26 E C -0.440 176.198 176.600 0.062 0.000 1.076 26 E CA -0.395 56.080 56.400 0.124 0.000 0.905 26 E CB 0.419 30.178 29.700 0.099 0.000 0.984 26 E HN 0.535 nan 8.360 nan 0.000 0.427 27 Q N 0.046 119.878 119.800 0.053 0.000 2.369 27 Q HA -0.019 4.322 4.340 0.002 0.000 0.295 27 Q C 0.039 176.044 176.000 0.009 0.000 1.075 27 Q CA 0.532 56.347 55.803 0.021 0.000 0.941 27 Q CB -0.098 28.660 28.738 0.032 0.000 1.260 27 Q HN 0.595 nan 8.270 nan 0.000 0.417 28 S N 0.519 116.214 115.700 -0.008 0.000 3.486 28 S HA -0.274 4.197 4.470 0.002 0.000 0.371 28 S C -0.070 174.523 174.600 -0.011 0.000 1.001 28 S CA 1.654 59.848 58.200 -0.010 0.000 1.164 28 S CB -1.651 61.549 63.200 0.001 0.000 0.911 28 S HN 0.899 nan 8.310 nan 0.000 0.472 29 E N -1.291 118.895 120.200 -0.024 0.000 2.703 29 E HA 0.217 4.568 4.350 0.002 0.000 0.214 29 E C -0.659 175.889 176.600 -0.087 0.000 0.944 29 E CA -0.603 55.786 56.400 -0.018 0.000 1.299 29 E CB 0.249 29.971 29.700 0.037 0.000 1.189 29 E HN 0.451 nan 8.360 nan 0.000 0.597 30 L N 4.316 125.439 121.223 -0.167 0.000 2.540 30 L HA 0.060 4.401 4.340 0.002 0.000 0.276 30 L C -1.789 174.851 176.870 -0.383 0.000 1.212 30 L CA -0.669 53.935 54.840 -0.393 0.000 0.893 30 L CB -0.674 41.111 42.059 -0.456 0.000 1.138 30 L HN -0.056 nan 8.230 nan 0.000 0.491 31 P HA 0.152 nan 4.420 nan 0.000 0.271 31 P C -0.252 176.952 177.300 -0.160 0.000 1.218 31 P CA -0.433 62.472 63.100 -0.324 0.000 0.780 31 P CB 0.779 32.232 31.700 -0.411 0.000 0.901 32 A N 3.549 126.351 122.820 -0.029 0.000 2.206 32 A HA 0.201 4.522 4.320 0.002 0.000 0.286 32 A C 0.688 178.338 177.584 0.110 0.000 1.334 32 A CA 0.007 52.089 52.037 0.074 0.000 0.843 32 A CB -0.571 18.430 19.000 0.001 0.000 1.169 32 A HN 0.558 nan 8.150 nan 0.000 0.511 33 I N -1.024 119.553 120.570 0.011 0.000 2.498 33 I HA 0.333 4.505 4.170 0.002 0.000 0.301 33 I C 0.112 176.185 176.117 -0.073 0.000 0.984 33 I CA -0.255 61.028 61.300 -0.029 0.000 1.204 33 I CB 1.231 39.157 38.000 -0.123 0.000 1.362 33 I HN 0.623 nan 8.210 nan 0.000 0.471 34 L N 2.068 123.249 121.223 -0.070 0.000 4.800 34 L HA -0.235 4.106 4.340 0.002 0.000 0.412 34 L C 0.226 177.104 176.870 0.012 0.000 1.063 34 L CA 0.028 54.807 54.840 -0.102 0.000 1.114 34 L CB -1.851 39.983 42.059 -0.375 0.000 2.089 34 L HN 0.716 nan 8.230 nan 0.000 0.686 35 N N 0.635 119.341 118.700 0.011 0.000 2.322 35 N HA 0.636 5.377 4.740 0.002 0.000 0.270 35 N C 0.273 175.810 175.510 0.046 0.000 1.286 35 N CA 0.556 53.622 53.050 0.026 0.000 0.948 35 N CB 0.572 39.052 38.487 -0.011 0.000 1.164 35 N HN 0.252 nan 8.380 nan 0.000 0.551 36 A N 0.696 123.540 122.820 0.041 0.000 2.311 36 A HA 0.581 4.902 4.320 0.002 0.000 0.306 36 A C -1.011 176.606 177.584 0.055 0.000 1.189 36 A CA -0.465 51.601 52.037 0.048 0.000 0.791 36 A CB 0.126 19.151 19.000 0.042 0.000 1.172 36 A HN 0.376 nan 8.150 nan 0.000 0.481 37 L N 1.629 122.895 121.223 0.071 0.000 2.334 37 L HA 0.584 4.925 4.340 0.002 0.000 0.275 37 L C 0.367 177.282 176.870 0.074 0.000 1.036 37 L CA 0.140 55.040 54.840 0.101 0.000 0.807 37 L CB 1.450 43.601 42.059 0.154 0.000 1.231 37 L HN 0.727 nan 8.230 nan 0.000 0.438 38 E N 2.713 122.954 120.200 0.068 0.000 2.256 38 E HA 0.703 5.055 4.350 0.002 0.000 0.267 38 E C -1.232 175.386 176.600 0.031 0.000 0.892 38 E CA -0.609 55.817 56.400 0.043 0.000 0.775 38 E CB 2.822 32.542 29.700 0.034 0.000 1.207 38 E HN 0.367 nan 8.360 nan 0.000 0.420 39 I N 1.754 122.337 120.570 0.021 0.000 2.686 39 I HA 0.268 4.439 4.170 0.002 0.000 0.295 39 I C -0.535 175.585 176.117 0.006 0.000 1.114 39 I CA -1.007 60.298 61.300 0.009 0.000 1.038 39 I CB 2.132 40.137 38.000 0.008 0.000 1.238 39 I HN 0.218 nan 8.210 nan 0.000 0.420 40 K N 3.732 124.132 120.400 -0.000 0.000 2.379 40 K HA 0.362 4.683 4.320 0.002 0.000 0.284 40 K C -0.173 176.427 176.600 -0.001 0.000 1.044 40 K CA -0.124 56.163 56.287 -0.001 0.000 0.974 40 K CB 0.724 33.221 32.500 -0.004 0.000 0.962 40 K HN 0.700 nan 8.250 nan 0.000 0.474 41 T N -0.107 114.448 114.554 0.000 0.000 2.900 41 T HA 0.293 4.644 4.350 0.002 0.000 0.295 41 T C -2.172 172.528 174.700 -0.001 0.000 1.044 41 T CA -2.206 59.894 62.100 0.000 0.000 0.995 41 T CB 1.813 70.682 68.868 0.002 0.000 1.072 41 T HN 0.148 nan 8.240 nan 0.000 0.473 42 P HA -0.153 nan 4.420 nan 0.000 0.217 42 P C 1.342 178.641 177.300 -0.002 0.000 1.151 42 P CA 1.244 64.343 63.100 -0.002 0.000 0.849 42 P CB 0.137 31.836 31.700 -0.002 0.000 0.787 43 Q N -1.375 118.424 119.800 -0.001 0.000 1.965 43 Q HA 0.092 4.433 4.340 0.002 0.000 0.200 43 Q C 1.938 177.938 176.000 -0.000 0.000 0.981 43 Q CA 2.027 57.829 55.803 -0.001 0.000 0.834 43 Q CB -1.055 27.683 28.738 -0.000 0.000 0.900 43 Q HN 0.337 nan 8.270 nan 0.000 0.426 44 G N -0.987 107.814 108.800 0.001 0.000 2.916 44 G HA2 0.299 4.260 3.960 0.002 0.000 0.144 44 G HA3 0.299 4.260 3.960 0.002 0.000 0.144 44 G C -1.053 173.849 174.900 0.003 0.000 1.484 44 G CA 0.042 45.143 45.100 0.002 0.000 0.984 44 G HN 0.191 nan 8.290 nan 0.000 0.720 45 K N -0.768 119.635 120.400 0.005 0.000 2.575 45 K HA 0.718 5.039 4.320 0.002 0.000 0.279 45 K C -2.133 174.473 176.600 0.010 0.000 0.969 45 K CA -0.867 55.424 56.287 0.007 0.000 0.868 45 K CB 2.386 34.891 32.500 0.008 0.000 1.457 45 K HN 0.450 nan 8.250 nan 0.000 0.426 46 L N 1.608 122.839 121.223 0.013 0.000 2.325 46 L HA 0.554 4.896 4.340 0.002 0.000 0.278 46 L C -1.380 175.504 176.870 0.023 0.000 1.023 46 L CA -0.495 54.354 54.840 0.016 0.000 0.811 46 L CB 2.018 44.086 42.059 0.015 0.000 1.249 46 L HN 0.579 nan 8.230 nan 0.000 0.431 47 V N 5.919 125.848 119.914 0.026 0.000 2.495 47 V HA 0.510 4.631 4.120 0.002 0.000 0.298 47 V C -0.348 175.769 176.094 0.039 0.000 1.031 47 V CA -0.595 61.724 62.300 0.032 0.000 0.871 47 V CB 1.652 33.492 31.823 0.028 0.000 0.988 47 V HN 0.582 nan 8.190 nan 0.000 0.432 48 L N 3.891 125.144 121.223 0.050 0.000 2.372 48 L HA 0.561 4.902 4.340 0.002 0.000 0.274 48 L C -0.119 176.787 176.870 0.060 0.000 0.988 48 L CA -0.347 54.527 54.840 0.056 0.000 0.833 48 L CB 2.090 44.190 42.059 0.068 0.000 1.236 48 L HN 0.680 nan 8.230 nan 0.000 0.410 49 E N 2.840 123.075 120.200 0.058 0.000 2.167 49 E HA 0.325 4.676 4.350 0.002 0.000 0.284 49 E C -0.620 176.011 176.600 0.051 0.000 1.016 49 E CA -0.724 55.715 56.400 0.064 0.000 0.817 49 E CB 1.518 31.268 29.700 0.084 0.000 1.080 49 E HN 0.327 nan 8.360 nan 0.000 0.397 50 V N 3.719 123.657 119.914 0.039 0.000 2.901 50 V HA 0.068 4.189 4.120 0.002 0.000 0.307 50 V C 0.892 177.000 176.094 0.023 0.000 1.084 50 V CA 1.201 63.519 62.300 0.030 0.000 1.184 50 V CB 0.961 32.794 31.823 0.016 0.000 0.941 50 V HN 0.943 nan 8.190 nan 0.000 0.493 51 A N 3.144 125.984 122.820 0.034 0.000 1.773 51 A HA 0.373 4.694 4.320 0.002 0.000 0.210 51 A C 0.491 178.082 177.584 0.012 0.000 1.775 51 A CA 0.022 52.066 52.037 0.012 0.000 1.157 51 A CB 0.545 19.554 19.000 0.015 0.000 1.119 51 A HN 0.737 nan 8.150 nan 0.000 0.501 52 Q N -0.653 119.183 119.800 0.061 0.000 2.456 52 Q HA 0.406 4.748 4.340 0.002 0.000 0.284 52 Q C -1.708 174.419 176.000 0.211 0.000 1.061 52 Q CA -0.600 55.243 55.803 0.067 0.000 0.799 52 Q CB 1.971 30.727 28.738 0.030 0.000 1.445 52 Q HN 0.645 nan 8.270 nan 0.000 0.411 53 H N 2.253 121.300 119.070 -0.039 0.000 2.746 53 H HA 0.206 4.763 4.556 0.002 0.000 0.269 53 H C 0.833 176.145 175.328 -0.026 0.000 1.248 53 H CA -0.282 55.741 56.048 -0.042 0.000 1.258 53 H CB 0.601 30.329 29.762 -0.056 0.000 1.441 53 H HN 0.458 nan 8.280 nan 0.000 0.508 54 L N 2.238 123.512 121.223 0.086 0.000 2.189 54 L HA -0.136 4.205 4.340 0.002 0.000 0.214 54 L C 1.298 178.194 176.870 0.043 0.000 1.097 54 L CA 1.218 56.089 54.840 0.052 0.000 0.764 54 L CB -0.306 41.778 42.059 0.042 0.000 0.900 54 L HN 0.849 nan 8.230 nan 0.000 0.436 55 G N -0.971 107.851 108.800 0.035 0.000 2.479 55 G HA2 -0.103 3.858 3.960 0.002 0.000 0.686 55 G HA3 -0.103 3.858 3.960 0.002 0.000 0.686 55 G C -0.158 174.745 174.900 0.004 0.000 1.295 55 G CA -0.430 44.684 45.100 0.023 0.000 0.922 55 G HN 0.256 nan 8.290 nan 0.000 0.582 56 E N 0.101 120.304 120.200 0.006 0.000 2.389 56 E HA -0.246 4.105 4.350 0.002 0.000 0.243 56 E C 0.631 177.205 176.600 -0.043 0.000 1.154 56 E CA 0.621 57.032 56.400 0.019 0.000 0.723 56 E CB -1.165 28.570 29.700 0.058 0.000 1.261 56 E HN 1.117 nan 8.360 nan 0.000 0.390 57 N N -1.351 117.277 118.700 -0.121 0.000 2.725 57 N HA -0.148 4.593 4.740 0.002 0.000 0.249 57 N C -0.867 174.376 175.510 -0.445 0.000 1.103 57 N CA 1.929 54.804 53.050 -0.291 0.000 0.707 57 N CB -1.214 37.064 38.487 -0.349 0.000 1.043 57 N HN 0.309 nan 8.380 nan 0.000 0.553 58 T N -0.322 114.110 114.554 -0.203 0.000 2.848 58 T HA 0.614 4.965 4.350 0.002 0.000 0.285 58 T C 0.340 175.008 174.700 -0.054 0.000 0.995 58 T CA -0.704 61.342 62.100 -0.090 0.000 0.970 58 T CB 2.688 71.573 68.868 0.028 0.000 0.976 58 T HN 0.143 nan 8.240 nan 0.000 0.441 59 V N 1.120 121.023 119.914 -0.018 0.000 2.769 59 V HA 0.777 4.898 4.120 0.002 0.000 0.312 59 V C -0.379 175.746 176.094 0.051 0.000 1.061 59 V CA -1.375 60.910 62.300 -0.025 0.000 0.931 59 V CB 1.949 33.677 31.823 -0.158 0.000 1.010 59 V HN 0.870 nan 8.190 nan 0.000 0.433 60 R N 2.070 122.606 120.500 0.059 0.000 2.338 60 R HA 0.738 5.079 4.340 0.002 0.000 0.317 60 R C -0.231 176.102 176.300 0.055 0.000 0.968 60 R CA 0.219 56.353 56.100 0.057 0.000 0.849 60 R CB 1.625 31.953 30.300 0.046 0.000 1.128 60 R HN 1.159 nan 8.270 nan 0.000 0.448 61 T N 1.836 116.423 114.554 0.055 0.000 2.907 61 T HA 0.537 4.888 4.350 0.002 0.000 0.290 61 T C 0.284 175.009 174.700 0.041 0.000 1.066 61 T CA -1.016 61.114 62.100 0.051 0.000 1.012 61 T CB 1.202 70.108 68.868 0.063 0.000 1.184 61 T HN 0.580 nan 8.240 nan 0.000 0.522 62 I N -0.305 120.288 120.570 0.038 0.000 2.412 62 I HA 0.801 4.973 4.170 0.002 0.000 0.296 62 I C 0.212 176.349 176.117 0.033 0.000 0.987 62 I CA -1.457 59.862 61.300 0.031 0.000 1.180 62 I CB 1.244 39.259 38.000 0.026 0.000 1.340 62 I HN 0.878 nan 8.210 nan 0.000 0.455 63 A N 6.961 129.797 122.820 0.027 0.000 2.425 63 A HA 0.479 4.801 4.320 0.002 0.000 0.249 63 A C 0.642 178.242 177.584 0.025 0.000 1.084 63 A CA -0.440 51.613 52.037 0.026 0.000 0.781 63 A CB 0.550 19.562 19.000 0.021 0.000 1.019 63 A HN 0.870 nan 8.150 nan 0.000 0.490 64 M N 0.959 120.575 119.600 0.027 0.000 2.383 64 M HA 0.235 4.716 4.480 0.002 0.000 0.247 64 M C -0.142 176.171 176.300 0.022 0.000 1.117 64 M CA 0.370 55.686 55.300 0.026 0.000 0.995 64 M CB -1.138 31.479 32.600 0.028 0.000 1.480 64 M HN 0.893 nan 8.290 nan 0.000 0.485 65 D N -0.959 119.452 120.400 0.019 0.000 2.838 65 D HA 0.517 5.158 4.640 0.002 0.000 0.334 65 D C -0.299 176.008 176.300 0.013 0.000 1.315 65 D CA -0.297 53.712 54.000 0.016 0.000 0.917 65 D CB 0.785 41.593 40.800 0.015 0.000 1.435 65 D HN 0.101 nan 8.370 nan 0.000 0.517 66 G N -1.308 107.498 108.800 0.010 0.000 2.484 66 G HA2 0.359 4.321 3.960 0.002 0.000 0.235 66 G HA3 0.359 4.321 3.960 0.002 0.000 0.235 66 G C 0.762 175.667 174.900 0.008 0.000 1.282 66 G CA 0.663 45.768 45.100 0.008 0.000 0.857 66 G HN 0.509 nan 8.290 nan 0.000 0.571 67 T N -1.739 112.819 114.554 0.007 0.000 3.003 67 T HA 0.208 4.559 4.350 0.002 0.000 0.261 67 T C 0.698 175.401 174.700 0.005 0.000 1.003 67 T CA 0.006 62.110 62.100 0.008 0.000 0.917 67 T CB 0.083 68.957 68.868 0.009 0.000 1.084 67 T HN 0.584 nan 8.240 nan 0.000 0.522 68 E N 0.964 121.166 120.200 0.004 0.000 2.415 68 E HA 0.378 4.729 4.350 0.002 0.000 0.260 68 E C 1.187 177.788 176.600 0.001 0.000 1.016 68 E CA 0.927 57.328 56.400 0.002 0.000 0.924 68 E CB -0.388 29.313 29.700 0.001 0.000 0.961 68 E HN 0.534 nan 8.360 nan 0.000 0.459 69 G N 4.061 112.861 108.800 0.000 0.000 2.428 69 G HA2 -0.232 3.729 3.960 0.002 0.000 0.199 69 G HA3 -0.232 3.729 3.960 0.002 0.000 0.199 69 G C 0.249 175.148 174.900 -0.002 0.000 1.005 69 G CA -0.145 44.954 45.100 -0.001 0.000 0.671 69 G HN 0.520 nan 8.290 nan 0.000 0.485 70 L N 1.301 122.524 121.223 -0.001 0.000 2.529 70 L HA 0.417 4.758 4.340 0.002 0.000 0.287 70 L C 0.401 177.268 176.870 -0.005 0.000 1.241 70 L CA 0.217 55.056 54.840 -0.002 0.000 0.857 70 L CB 0.858 42.917 42.059 0.001 0.000 1.113 70 L HN 0.064 nan 8.230 nan 0.000 0.504 71 V N 2.684 122.593 119.914 -0.008 0.000 2.760 71 V HA 0.327 4.448 4.120 0.002 0.000 0.309 71 V C -0.070 176.015 176.094 -0.015 0.000 1.077 71 V CA -0.930 61.364 62.300 -0.011 0.000 0.910 71 V CB 1.962 33.778 31.823 -0.012 0.000 1.008 71 V HN 0.648 nan 8.190 nan 0.000 0.424 72 R N 2.709 123.201 120.500 -0.014 0.000 2.483 72 R HA 0.396 4.737 4.340 0.002 0.000 0.329 72 R C 1.206 177.489 176.300 -0.028 0.000 0.961 72 R CA 0.979 57.068 56.100 -0.019 0.000 1.041 72 R CB -0.078 30.213 30.300 -0.016 0.000 0.930 72 R HN 1.187 nan 8.270 nan 0.000 0.413 73 G N 2.492 111.270 108.800 -0.036 0.000 2.617 73 G HA2 -0.207 3.754 3.960 0.002 0.000 0.197 73 G HA3 -0.207 3.754 3.960 0.002 0.000 0.197 73 G C -0.082 174.787 174.900 -0.051 0.000 1.017 73 G CA -0.672 44.401 45.100 -0.047 0.000 0.713 73 G HN 0.565 nan 8.290 nan 0.000 0.481 74 E N 1.820 121.995 120.200 -0.042 0.000 2.534 74 E HA 0.237 4.588 4.350 0.002 0.000 0.264 74 E C 0.253 176.816 176.600 -0.061 0.000 0.981 74 E CA 0.476 56.851 56.400 -0.042 0.000 0.948 74 E CB 0.526 30.208 29.700 -0.030 0.000 0.934 74 E HN 0.375 nan 8.360 nan 0.000 0.459 75 K N 0.959 121.322 120.400 -0.060 0.000 2.319 75 K HA 0.223 4.544 4.320 0.002 0.000 0.265 75 K C -0.694 175.856 176.600 -0.083 0.000 1.000 75 K CA -0.174 56.065 56.287 -0.081 0.000 0.943 75 K CB 0.783 33.247 32.500 -0.060 0.000 0.950 75 K HN 0.155 nan 8.250 nan 0.000 0.485 76 V N 3.697 123.534 119.914 -0.129 0.000 2.488 76 V HA 0.134 4.255 4.120 0.002 0.000 0.293 76 V C -0.867 175.194 176.094 -0.056 0.000 1.027 76 V CA -0.944 61.298 62.300 -0.095 0.000 0.862 76 V CB 1.346 33.088 31.823 -0.136 0.000 1.008 76 V HN 0.536 nan 8.190 nan 0.000 0.428 77 L N 3.694 124.927 121.223 0.018 0.000 2.395 77 L HA 0.631 4.972 4.340 0.002 0.000 0.269 77 L C -0.250 176.700 176.870 0.133 0.000 1.133 77 L CA 0.559 55.435 54.840 0.060 0.000 0.812 77 L CB 1.219 43.301 42.059 0.039 0.000 1.125 77 L HN 0.756 nan 8.230 nan 0.000 0.452 78 D N 1.059 121.555 120.400 0.160 0.000 2.381 78 D HA 0.256 4.897 4.640 0.002 0.000 0.235 78 D C 1.008 177.355 176.300 0.078 0.000 1.068 78 D CA 0.279 54.369 54.000 0.150 0.000 0.832 78 D CB 1.459 42.372 40.800 0.188 0.000 1.101 78 D HN 0.759 nan 8.370 nan 0.000 0.515 79 T N 1.120 115.707 114.554 0.056 0.000 2.833 79 T HA 0.085 4.436 4.350 0.002 0.000 0.269 79 T C 1.704 176.419 174.700 0.025 0.000 1.054 79 T CA 1.119 63.240 62.100 0.035 0.000 1.135 79 T CB -0.240 68.645 68.868 0.028 0.000 0.869 79 T HN 0.745 nan 8.240 nan 0.000 0.466 80 G N 0.445 109.257 108.800 0.020 0.000 2.254 80 G HA2 0.042 4.003 3.960 0.002 0.000 0.225 80 G HA3 0.042 4.003 3.960 0.002 0.000 0.225 80 G C 0.347 175.248 174.900 0.003 0.000 1.003 80 G CA -0.131 44.972 45.100 0.005 0.000 0.622 80 G HN 1.214 nan 8.290 nan 0.000 0.507 81 G N -0.024 108.783 108.800 0.012 0.000 2.563 81 G HA2 0.745 4.706 3.960 0.002 0.000 0.302 81 G HA3 0.745 4.706 3.960 0.002 0.000 0.302 81 G C -2.851 172.068 174.900 0.033 0.000 1.301 81 G CA -1.067 44.043 45.100 0.018 0.000 0.965 81 G HN 0.144 nan 8.290 nan 0.000 0.480 82 P HA 0.062 nan 4.420 nan 0.000 0.270 82 P C 0.518 177.855 177.300 0.062 0.000 1.221 82 P CA -0.147 63.016 63.100 0.106 0.000 0.788 82 P CB 0.558 32.380 31.700 0.203 0.000 0.904 83 I N 0.244 120.848 120.570 0.056 0.000 2.919 83 I HA -0.112 4.059 4.170 0.002 0.000 0.303 83 I C 0.684 176.787 176.117 -0.023 0.000 1.221 83 I CA 1.228 62.532 61.300 0.007 0.000 1.444 83 I CB -0.254 37.739 38.000 -0.011 0.000 1.331 83 I HN 0.246 nan 8.210 nan 0.000 0.572 84 S N 5.269 120.954 115.700 -0.026 0.000 2.503 84 S HA 0.656 5.128 4.470 0.002 0.000 0.301 84 S C -0.485 174.081 174.600 -0.057 0.000 1.087 84 S CA -0.753 57.421 58.200 -0.044 0.000 1.042 84 S CB 2.129 65.308 63.200 -0.036 0.000 1.043 84 S HN 0.507 nan 8.310 nan 0.000 0.489 85 V N 0.668 120.534 119.914 -0.080 0.000 2.588 85 V HA 0.713 4.834 4.120 0.002 0.000 0.304 85 V C -2.854 173.166 176.094 -0.124 0.000 1.042 85 V CA -2.838 59.408 62.300 -0.089 0.000 0.877 85 V CB 1.461 33.229 31.823 -0.091 0.000 0.996 85 V HN 0.631 nan 8.190 nan 0.000 0.425 86 P HA 0.252 nan 4.420 nan 0.000 0.269 86 P C -0.372 176.795 177.300 -0.222 0.000 1.209 86 P CA 0.230 63.241 63.100 -0.148 0.000 0.776 86 P CB 1.363 33.005 31.700 -0.097 0.000 0.876 87 V N -1.013 118.688 119.914 -0.356 0.000 2.823 87 V HA 1.006 5.127 4.120 0.002 0.000 0.312 87 V C 0.004 175.803 176.094 -0.492 0.000 1.072 87 V CA -0.190 61.763 62.300 -0.577 0.000 0.937 87 V CB 1.314 32.465 31.823 -1.120 0.000 1.013 87 V HN 1.031 nan 8.190 nan 0.000 0.430 88 G N 3.313 111.996 108.800 -0.194 0.000 2.361 88 G HA2 0.060 4.021 3.960 0.002 0.000 0.331 88 G HA3 0.060 4.021 3.960 0.002 0.000 0.331 88 G C -0.266 174.839 174.900 0.341 0.000 1.324 88 G CA -0.346 44.892 45.100 0.230 0.000 0.984 88 G HN 0.818 nan 8.290 nan 0.000 0.586 89 R N -0.060 120.599 120.500 0.266 0.000 2.328 89 R HA 0.022 4.363 4.340 0.002 0.000 0.207 89 R C 1.503 177.787 176.300 -0.027 0.000 1.056 89 R CA 1.035 57.145 56.100 0.017 0.000 1.016 89 R CB 0.089 30.363 30.300 -0.045 0.000 0.872 89 R HN 0.472 nan 8.270 nan 0.000 0.471 90 E N -0.036 120.178 120.200 0.024 0.000 2.435 90 E HA -0.071 4.280 4.350 0.002 0.000 0.195 90 E C 1.791 178.387 176.600 -0.006 0.000 1.029 90 E CA 1.291 57.691 56.400 0.000 0.000 0.865 90 E CB 0.162 29.864 29.700 0.005 0.000 0.833 90 E HN 0.412 nan 8.360 nan 0.000 0.510 91 T N -1.440 113.118 114.554 0.006 0.000 3.043 91 T HA 0.069 4.420 4.350 0.002 0.000 0.263 91 T C 1.261 175.957 174.700 -0.008 0.000 1.094 91 T CA -0.098 62.005 62.100 0.004 0.000 1.127 91 T CB -0.218 68.659 68.868 0.014 0.000 0.905 91 T HN -0.041 nan 8.240 nan 0.000 0.490 92 L N 2.169 123.361 121.223 -0.052 0.000 2.559 92 L HA 0.371 4.712 4.340 0.002 0.000 0.274 92 L C 1.586 178.421 176.870 -0.057 0.000 1.205 92 L CA 0.910 55.688 54.840 -0.102 0.000 0.907 92 L CB -0.258 41.645 42.059 -0.259 0.000 1.153 92 L HN 0.598 nan 8.230 nan 0.000 0.490 93 G N 2.296 111.074 108.800 -0.037 0.000 2.176 93 G HA2 -0.224 3.737 3.960 0.002 0.000 0.252 93 G HA3 -0.224 3.737 3.960 0.002 0.000 0.252 93 G C 0.024 174.961 174.900 0.063 0.000 1.024 93 G CA -0.382 44.708 45.100 -0.017 0.000 0.755 93 G HN 0.501 nan 8.290 nan 0.000 0.507 94 R N -0.488 120.058 120.500 0.076 0.000 2.575 94 R HA 0.499 4.840 4.340 0.002 0.000 0.293 94 R C 0.124 176.488 176.300 0.107 0.000 0.983 94 R CA -1.051 55.111 56.100 0.103 0.000 0.887 94 R CB 1.233 31.560 30.300 0.045 0.000 1.184 94 R HN 0.252 nan 8.270 nan 0.000 0.445 95 I N 4.657 125.306 120.570 0.131 0.000 2.379 95 I HA 0.292 4.463 4.170 0.002 0.000 0.290 95 I C 0.335 176.480 176.117 0.047 0.000 1.063 95 I CA 0.019 61.380 61.300 0.101 0.000 1.351 95 I CB 0.371 38.425 38.000 0.089 0.000 1.410 95 I HN 0.299 nan 8.210 nan 0.000 0.505 96 I N 6.365 126.944 120.570 0.015 0.000 2.433 96 I HA 0.275 4.447 4.170 0.002 0.000 0.292 96 I C -0.146 175.981 176.117 0.017 0.000 1.001 96 I CA -0.821 60.483 61.300 0.005 0.000 1.119 96 I CB 1.762 39.752 38.000 -0.017 0.000 1.289 96 I HN 0.609 nan 8.210 nan 0.000 0.438 97 N N 4.594 123.309 118.700 0.026 0.000 2.448 97 N HA 0.144 4.885 4.740 0.002 0.000 0.274 97 N C 0.595 176.116 175.510 0.019 0.000 1.239 97 N CA -0.807 52.266 53.050 0.039 0.000 0.982 97 N CB 0.618 39.129 38.487 0.040 0.000 1.199 97 N HN 0.355 nan 8.380 nan 0.000 0.576 98 V N -0.201 119.728 119.914 0.026 0.000 2.490 98 V HA -0.125 3.996 4.120 0.002 0.000 0.250 98 V C 1.562 177.655 176.094 -0.001 0.000 1.061 98 V CA 1.373 63.681 62.300 0.013 0.000 1.064 98 V CB -0.841 30.998 31.823 0.026 0.000 0.670 98 V HN 0.607 nan 8.190 nan 0.000 0.461 99 I N 0.897 121.469 120.570 0.004 0.000 2.546 99 I HA 0.116 4.287 4.170 0.002 0.000 0.255 99 I C 2.087 178.197 176.117 -0.011 0.000 1.163 99 I CA 1.544 62.843 61.300 -0.000 0.000 1.457 99 I CB -1.450 36.553 38.000 0.006 0.000 1.092 99 I HN 0.579 nan 8.210 nan 0.000 0.434 100 G N 0.819 109.610 108.800 -0.014 0.000 2.184 100 G HA2 -0.192 3.769 3.960 0.002 0.000 0.206 100 G HA3 -0.192 3.769 3.960 0.002 0.000 0.206 100 G C 0.111 174.999 174.900 -0.019 0.000 0.995 100 G CA -0.343 44.742 45.100 -0.025 0.000 0.651 100 G HN 0.433 nan 8.290 nan 0.000 0.511 101 E N 1.844 122.039 120.200 -0.009 0.000 2.277 101 E HA 0.442 4.793 4.350 0.002 0.000 0.274 101 E C -2.350 174.250 176.600 -0.001 0.000 1.022 101 E CA -1.940 54.456 56.400 -0.006 0.000 0.853 101 E CB 1.775 31.474 29.700 -0.002 0.000 1.086 101 E HN 0.176 nan 8.360 nan 0.000 0.397 102 P HA 0.056 nan 4.420 nan 0.000 0.275 102 P C 0.155 177.456 177.300 0.001 0.000 1.227 102 P CA 0.285 63.387 63.100 0.003 0.000 0.781 102 P CB 0.572 32.274 31.700 0.003 0.000 0.906 103 I N -1.058 119.512 120.570 -0.000 0.000 4.338 103 I HA 0.177 4.349 4.170 0.002 0.000 0.329 103 I C 0.459 176.552 176.117 -0.041 0.000 1.378 103 I CA -0.225 61.068 61.300 -0.012 0.000 1.170 103 I CB -0.017 37.983 38.000 -0.001 0.000 1.206 103 I HN 0.037 nan 8.210 nan 0.000 0.432 104 D N 1.168 121.542 120.400 -0.043 0.000 2.363 104 D HA -0.096 4.545 4.640 0.002 0.000 0.226 104 D C 0.493 176.764 176.300 -0.049 0.000 1.020 104 D CA 0.270 54.218 54.000 -0.087 0.000 0.892 104 D CB -0.336 40.434 40.800 -0.051 0.000 0.900 104 D HN 0.551 nan 8.370 nan 0.000 0.531 105 E N -0.892 119.291 120.200 -0.027 0.000 2.791 105 E HA -0.224 4.127 4.350 0.002 0.000 0.271 105 E C -0.053 176.547 176.600 -0.000 0.000 1.044 105 E CA 0.189 56.580 56.400 -0.015 0.000 0.814 105 E CB -0.825 28.862 29.700 -0.022 0.000 1.400 105 E HN 0.309 nan 8.360 nan 0.000 0.423 106 R N 0.141 120.647 120.500 0.009 0.000 2.702 106 R HA 0.274 4.615 4.340 0.002 0.000 0.314 106 R C 0.941 177.248 176.300 0.013 0.000 1.152 106 R CA 0.662 56.774 56.100 0.020 0.000 1.097 106 R CB 0.437 30.760 30.300 0.038 0.000 1.343 106 R HN 0.360 nan 8.270 nan 0.000 0.575 107 G N 2.617 111.421 108.800 0.007 0.000 2.796 107 G HA2 -0.241 3.721 3.960 0.002 0.000 0.226 107 G HA3 -0.241 3.721 3.960 0.002 0.000 0.226 107 G C -2.511 172.391 174.900 0.003 0.000 1.381 107 G CA -0.935 44.167 45.100 0.004 0.000 0.867 107 G HN 0.156 nan 8.290 nan 0.000 0.552 108 P HA 0.396 nan 4.420 nan 0.000 0.275 108 P C 0.177 177.475 177.300 -0.002 0.000 1.227 108 P CA -0.244 62.855 63.100 -0.002 0.000 0.781 108 P CB 0.591 32.290 31.700 -0.003 0.000 0.906 109 I N 3.446 124.012 120.570 -0.006 0.000 2.372 109 I HA 0.053 4.224 4.170 0.002 0.000 0.298 109 I C 1.056 177.165 176.117 -0.013 0.000 1.137 109 I CA -0.068 61.227 61.300 -0.009 0.000 1.314 109 I CB -0.422 37.569 38.000 -0.015 0.000 1.444 109 I HN 0.108 nan 8.210 nan 0.000 0.541 110 K N 4.717 125.113 120.400 -0.007 0.000 2.079 110 K HA 0.087 4.408 4.320 0.002 0.000 0.255 110 K C 0.278 176.873 176.600 -0.008 0.000 1.114 110 K CA 0.005 56.289 56.287 -0.006 0.000 1.056 110 K CB 0.134 32.634 32.500 0.000 0.000 1.176 110 K HN 0.487 nan 8.250 nan 0.000 0.353 111 S N 1.255 116.943 115.700 -0.020 0.000 2.681 111 S HA 0.221 4.692 4.470 0.002 0.000 0.299 111 S C 0.872 175.456 174.600 -0.026 0.000 1.113 111 S CA -0.795 57.386 58.200 -0.030 0.000 1.013 111 S CB 1.568 64.728 63.200 -0.068 0.000 1.076 111 S HN 0.623 nan 8.310 nan 0.000 0.534 112 K N 1.166 121.552 120.400 -0.023 0.000 2.276 112 K HA 0.358 4.679 4.320 0.002 0.000 0.198 112 K C -0.158 176.425 176.600 -0.029 0.000 1.052 112 K CA 0.402 56.684 56.287 -0.008 0.000 0.984 112 K CB 0.105 32.620 32.500 0.025 0.000 0.836 112 K HN 0.608 nan 8.250 nan 0.000 0.490 113 L N 0.610 121.787 121.223 -0.077 0.000 2.309 113 L HA 0.517 4.859 4.340 0.002 0.000 0.261 113 L C -0.784 175.992 176.870 -0.157 0.000 1.021 113 L CA -1.185 53.593 54.840 -0.104 0.000 0.823 113 L CB 2.272 44.266 42.059 -0.108 0.000 1.366 113 L HN -0.096 nan 8.230 nan 0.000 0.423 114 R N 1.517 121.941 120.500 -0.128 0.000 2.575 114 R HA 0.344 4.685 4.340 0.002 0.000 0.292 114 R C -1.256 174.979 176.300 -0.110 0.000 1.246 114 R CA -0.947 55.077 56.100 -0.127 0.000 0.973 114 R CB 1.783 32.034 30.300 -0.081 0.000 1.187 114 R HN 0.311 nan 8.270 nan 0.000 0.478 115 K N 3.162 123.475 120.400 -0.144 0.000 2.144 115 K HA 0.380 4.701 4.320 0.002 0.000 0.270 115 K C -2.192 174.361 176.600 -0.078 0.000 1.005 115 K CA -2.121 54.107 56.287 -0.099 0.000 0.932 115 K CB 1.097 33.529 32.500 -0.112 0.000 1.021 115 K HN 0.281 nan 8.250 nan 0.000 0.462 116 P HA 0.171 nan 4.420 nan 0.000 0.276 116 P C 0.901 178.160 177.300 -0.069 0.000 1.244 116 P CA -0.335 62.743 63.100 -0.037 0.000 0.801 116 P CB 0.538 32.244 31.700 0.009 0.000 1.006 117 I N -1.778 118.714 120.570 -0.129 0.000 2.617 117 I HA 0.018 4.189 4.170 0.002 0.000 0.256 117 I C 0.608 176.571 176.117 -0.257 0.000 1.167 117 I CA 0.801 61.967 61.300 -0.224 0.000 1.469 117 I CB -0.820 36.986 38.000 -0.323 0.000 1.098 117 I HN 0.206 nan 8.210 nan 0.000 0.436 118 H N 3.109 122.177 119.070 -0.003 0.000 2.761 118 H HA 0.706 5.263 4.556 0.002 0.000 0.284 118 H C -0.386 174.940 175.328 -0.003 0.000 1.105 118 H CA -0.268 55.780 56.048 0.001 0.000 1.352 118 H CB 1.007 30.771 29.762 0.003 0.000 1.423 118 H HN 0.400 nan 8.280 nan 0.000 0.464 119 A N 3.638 126.515 122.820 0.095 0.000 2.386 119 A HA 0.383 4.704 4.320 0.002 0.000 0.311 119 A C -0.549 177.064 177.584 0.048 0.000 1.068 119 A CA -0.991 51.078 52.037 0.054 0.000 0.743 119 A CB 1.252 20.266 19.000 0.022 0.000 1.258 119 A HN 0.522 nan 8.150 nan 0.000 0.429 120 D N 3.001 123.423 120.400 0.036 0.000 2.382 120 D HA 0.413 5.054 4.640 0.002 0.000 0.245 120 D C -2.033 174.281 176.300 0.024 0.000 1.120 120 D CA -0.252 53.765 54.000 0.029 0.000 0.890 120 D CB 0.519 41.333 40.800 0.023 0.000 1.201 120 D HN 0.350 nan 8.370 nan 0.000 0.433 121 P HA 0.150 nan 4.420 nan 0.000 0.268 121 P C -2.443 174.871 177.300 0.024 0.000 1.204 121 P CA -1.019 62.092 63.100 0.019 0.000 0.768 121 P CB -0.146 31.567 31.700 0.023 0.000 0.842 122 P HA -0.040 nan 4.420 nan 0.000 0.268 122 P C 0.520 177.842 177.300 0.037 0.000 1.189 122 P CA 0.367 63.478 63.100 0.018 0.000 0.771 122 P CB 0.237 31.941 31.700 0.005 0.000 0.822 123 S N 1.331 117.055 115.700 0.040 0.000 2.600 123 S HA 0.100 4.572 4.470 0.002 0.000 0.265 123 S C 0.954 175.615 174.600 0.101 0.000 1.325 123 S CA -0.536 57.709 58.200 0.075 0.000 1.002 123 S CB -0.174 63.064 63.200 0.064 0.000 0.921 123 S HN 0.399 nan 8.310 nan 0.000 0.554 124 F N 3.071 123.021 119.950 0.000 0.000 2.134 124 F HA 0.007 4.536 4.527 0.002 0.000 0.299 124 F C 2.199 177.998 175.800 -0.001 0.000 1.097 124 F CA 1.951 59.951 58.000 0.000 0.000 1.264 124 F CB -0.955 38.046 39.000 0.001 0.000 1.001 124 F HN 0.660 nan 8.300 nan 0.000 0.479 125 A N -0.045 122.728 122.820 -0.077 0.000 2.015 125 A HA -0.154 4.167 4.320 0.002 0.000 0.219 125 A C 2.024 179.512 177.584 -0.160 0.000 1.163 125 A CA 1.643 53.578 52.037 -0.170 0.000 0.646 125 A CB -0.778 18.214 19.000 -0.014 0.000 0.806 125 A HN 0.598 nan 8.150 nan 0.000 0.448 126 E N -0.019 120.122 120.200 -0.098 0.000 2.427 126 E HA -0.037 4.314 4.350 0.002 0.000 0.196 126 E C 0.192 176.732 176.600 -0.100 0.000 1.028 126 E CA -0.048 56.306 56.400 -0.077 0.000 0.864 126 E CB 0.050 29.728 29.700 -0.036 0.000 0.813 126 E HN 0.567 nan 8.360 nan 0.000 0.514 127 Q N 1.040 120.750 119.800 -0.150 0.000 2.421 127 Q HA 0.139 4.480 4.340 0.002 0.000 0.255 127 Q C 0.103 176.010 176.000 -0.155 0.000 1.013 127 Q CA 0.202 55.919 55.803 -0.143 0.000 0.895 127 Q CB 1.199 29.837 28.738 -0.166 0.000 1.271 127 Q HN -0.012 nan 8.270 nan 0.000 0.460 128 S N 0.472 116.108 115.700 -0.106 0.000 2.632 128 S HA 0.220 4.691 4.470 0.002 0.000 0.267 128 S C 0.899 175.439 174.600 -0.100 0.000 1.276 128 S CA -0.299 57.845 58.200 -0.093 0.000 0.998 128 S CB 0.707 63.869 63.200 -0.064 0.000 0.953 128 S HN 0.718 nan 8.310 nan 0.000 0.547 129 T N -2.298 112.206 114.554 -0.083 0.000 3.174 129 T HA 0.413 4.765 4.350 0.002 0.000 0.269 129 T C 0.084 174.757 174.700 -0.045 0.000 1.017 129 T CA -0.357 61.701 62.100 -0.070 0.000 0.899 129 T CB 0.019 68.844 68.868 -0.071 0.000 1.077 129 T HN 0.364 nan 8.240 nan 0.000 0.552 130 S N 0.285 115.960 115.700 -0.042 0.000 2.563 130 S HA 0.653 5.124 4.470 0.002 0.000 0.279 130 S C -1.212 173.367 174.600 -0.034 0.000 1.155 130 S CA -0.525 57.654 58.200 -0.035 0.000 0.928 130 S CB 1.103 64.283 63.200 -0.033 0.000 1.107 130 S HN 0.699 nan 8.310 nan 0.000 0.462 131 A N 3.800 126.602 122.820 -0.031 0.000 2.301 131 A HA 0.708 5.029 4.320 0.002 0.000 0.298 131 A C 0.049 177.614 177.584 -0.032 0.000 1.185 131 A CA -0.495 51.524 52.037 -0.030 0.000 0.830 131 A CB 0.252 19.236 19.000 -0.026 0.000 1.112 131 A HN 0.837 nan 8.150 nan 0.000 0.508 132 E N 2.611 122.792 120.200 -0.031 0.000 2.263 132 E HA 0.614 4.965 4.350 0.002 0.000 0.264 132 E C -0.924 175.662 176.600 -0.023 0.000 0.923 132 E CA -0.962 55.420 56.400 -0.030 0.000 0.802 132 E CB 1.104 30.788 29.700 -0.027 0.000 1.228 132 E HN 0.352 nan 8.360 nan 0.000 0.417 133 I N 1.885 122.443 120.570 -0.020 0.000 2.638 133 I HA 0.114 4.285 4.170 0.002 0.000 0.286 133 I C -0.057 176.072 176.117 0.021 0.000 1.088 133 I CA -0.646 60.654 61.300 0.000 0.000 1.397 133 I CB 0.578 38.568 38.000 -0.017 0.000 1.414 133 I HN 0.559 nan 8.210 nan 0.000 0.566 134 L N 6.103 127.355 121.223 0.047 0.000 2.295 134 L HA 0.331 4.672 4.340 0.002 0.000 0.281 134 L C 0.195 177.133 176.870 0.113 0.000 1.018 134 L CA -0.231 54.635 54.840 0.044 0.000 0.841 134 L CB 0.362 42.416 42.059 -0.009 0.000 1.218 134 L HN 0.493 nan 8.230 nan 0.000 0.424 135 E N 2.780 123.089 120.200 0.181 0.000 2.498 135 E HA -0.020 4.332 4.350 0.002 0.000 0.252 135 E C 0.702 177.370 176.600 0.113 0.000 1.025 135 E CA 0.718 57.202 56.400 0.140 0.000 0.938 135 E CB 0.624 30.383 29.700 0.099 0.000 0.947 135 E HN 0.795 nan 8.360 nan 0.000 0.478 136 T N 0.393 114.954 114.554 0.012 0.000 2.898 136 T HA 0.196 4.547 4.350 0.002 0.000 0.241 136 T C 1.353 176.001 174.700 -0.088 0.000 1.024 136 T CA 0.517 62.565 62.100 -0.086 0.000 1.174 136 T CB 0.245 68.974 68.868 -0.233 0.000 0.873 136 T HN 0.606 nan 8.240 nan 0.000 0.422 137 G N 0.802 109.556 108.800 -0.076 0.000 2.834 137 G HA2 0.090 4.051 3.960 0.002 0.000 0.217 137 G HA3 0.090 4.051 3.960 0.002 0.000 0.217 137 G C -0.193 174.647 174.900 -0.100 0.000 0.974 137 G CA -0.394 44.651 45.100 -0.091 0.000 0.826 137 G HN 0.590 nan 8.290 nan 0.000 0.584 138 I N 1.017 121.548 120.570 -0.064 0.000 2.436 138 I HA 0.309 4.480 4.170 0.002 0.000 0.289 138 I C 1.275 177.396 176.117 0.007 0.000 1.010 138 I CA -0.939 60.332 61.300 -0.048 0.000 1.098 138 I CB 1.867 39.872 38.000 0.007 0.000 1.266 138 I HN -0.076 nan 8.210 nan 0.000 0.434 139 K N 3.159 123.558 120.400 -0.003 0.000 2.063 139 K HA -0.107 4.214 4.320 0.002 0.000 0.208 139 K C 1.656 178.278 176.600 0.035 0.000 1.048 139 K CA 1.175 57.492 56.287 0.050 0.000 0.928 139 K CB -0.057 32.508 32.500 0.108 0.000 0.713 139 K HN 0.484 nan 8.250 nan 0.000 0.442 140 V N 1.150 121.093 119.914 0.049 0.000 2.688 140 V HA -0.201 3.920 4.120 0.002 0.000 0.256 140 V C 2.046 178.189 176.094 0.081 0.000 1.084 140 V CA 1.313 63.647 62.300 0.056 0.000 1.103 140 V CB -0.456 31.412 31.823 0.075 0.000 0.688 140 V HN 0.102 nan 8.190 nan 0.000 0.480 141 V N -0.514 119.471 119.914 0.118 0.000 2.423 141 V HA -0.065 4.056 4.120 0.002 0.000 0.233 141 V C 2.152 178.340 176.094 0.157 0.000 1.067 141 V CA 1.456 63.870 62.300 0.190 0.000 1.073 141 V CB -0.601 31.361 31.823 0.231 0.000 0.715 141 V HN 0.419 nan 8.190 nan 0.000 0.485 142 D N 0.320 120.798 120.400 0.130 0.000 2.190 142 D HA -0.190 4.451 4.640 0.002 0.000 0.200 142 D C 1.882 178.290 176.300 0.180 0.000 0.992 142 D CA 1.497 55.590 54.000 0.155 0.000 0.854 142 D CB 0.046 40.923 40.800 0.129 0.000 0.936 142 D HN 0.305 nan 8.370 nan 0.000 0.462 143 L N -0.233 121.011 121.223 0.034 0.000 2.202 143 L HA 0.062 4.403 4.340 0.002 0.000 0.205 143 L C 1.875 178.705 176.870 -0.067 0.000 1.083 143 L CA 0.993 55.755 54.840 -0.130 0.000 0.790 143 L CB -0.048 41.773 42.059 -0.398 0.000 0.942 143 L HN -0.073 nan 8.230 nan 0.000 0.452 144 L N -0.723 120.488 121.223 -0.020 0.000 2.370 144 L HA 0.351 4.692 4.340 0.002 0.000 0.191 144 L C 0.956 177.862 176.870 0.060 0.000 1.203 144 L CA 0.433 55.275 54.840 0.003 0.000 0.825 144 L CB -0.553 41.500 42.059 -0.010 0.000 1.048 144 L HN 0.064 nan 8.230 nan 0.000 0.487 145 A N 1.525 124.392 122.820 0.078 0.000 2.801 145 A HA 0.466 4.787 4.320 0.002 0.000 0.344 145 A C -2.447 175.216 177.584 0.130 0.000 1.322 145 A CA -1.432 50.651 52.037 0.076 0.000 0.913 145 A CB -0.545 18.481 19.000 0.043 0.000 1.140 145 A HN 0.005 nan 8.150 nan 0.000 0.487 146 P HA 0.116 nan 4.420 nan 0.000 0.272 146 P C -1.011 176.398 177.300 0.183 0.000 1.223 146 P CA 0.117 63.335 63.100 0.196 0.000 0.784 146 P CB 0.571 32.347 31.700 0.126 0.000 0.923 147 Y N 0.519 120.841 120.300 0.036 0.000 2.359 147 Y HA 0.349 4.900 4.550 0.002 0.000 0.334 147 Y C 1.139 177.033 175.900 -0.011 0.000 1.058 147 Y CA -0.300 57.808 58.100 0.012 0.000 1.244 147 Y CB 0.316 38.780 38.460 0.006 0.000 1.187 147 Y HN 0.379 nan 8.280 nan 0.000 0.510 148 A N 5.096 127.944 122.820 0.046 0.000 2.409 148 A HA 0.302 4.623 4.320 0.002 0.000 0.267 148 A C 0.477 178.069 177.584 0.013 0.000 1.127 148 A CA -0.762 51.282 52.037 0.013 0.000 0.795 148 A CB -0.009 18.978 19.000 -0.023 0.000 1.061 148 A HN 0.848 nan 8.150 nan 0.000 0.502 149 R N 2.527 123.023 120.500 -0.007 0.000 2.457 149 R HA 0.287 4.628 4.340 0.002 0.000 0.335 149 R C 1.053 177.329 176.300 -0.039 0.000 1.003 149 R CA 1.303 57.381 56.100 -0.037 0.000 1.003 149 R CB -0.542 29.720 30.300 -0.062 0.000 0.950 149 R HN 1.685 nan 8.270 nan 0.000 0.428 150 G N 2.612 111.388 108.800 -0.039 0.000 2.137 150 G HA2 -0.222 3.739 3.960 0.002 0.000 0.237 150 G HA3 -0.222 3.739 3.960 0.002 0.000 0.237 150 G C 0.140 175.018 174.900 -0.037 0.000 1.002 150 G CA -0.134 44.942 45.100 -0.040 0.000 0.702 150 G HN 0.918 nan 8.290 nan 0.000 0.515 151 G N -1.023 107.755 108.800 -0.036 0.000 2.705 151 G HA2 0.705 4.666 3.960 0.002 0.000 0.299 151 G HA3 0.705 4.666 3.960 0.002 0.000 0.299 151 G C -0.658 174.204 174.900 -0.064 0.000 1.315 151 G CA -0.841 44.234 45.100 -0.042 0.000 1.045 151 G HN 0.289 nan 8.290 nan 0.000 0.517 152 K N -0.440 119.917 120.400 -0.071 0.000 2.274 152 K HA 0.590 4.911 4.320 0.002 0.000 0.262 152 K C -0.946 175.571 176.600 -0.138 0.000 0.961 152 K CA -0.272 55.958 56.287 -0.096 0.000 0.833 152 K CB 1.774 34.236 32.500 -0.064 0.000 1.102 152 K HN 0.206 nan 8.250 nan 0.000 0.436 153 I N 1.266 121.733 120.570 -0.171 0.000 2.441 153 I HA 0.434 4.605 4.170 0.002 0.000 0.295 153 I C 0.551 176.587 176.117 -0.136 0.000 0.994 153 I CA -0.472 60.690 61.300 -0.229 0.000 1.144 153 I CB 2.140 39.877 38.000 -0.439 0.000 1.314 153 I HN 0.612 nan 8.210 nan 0.000 0.445 154 G N 5.588 114.333 108.800 -0.092 0.000 2.335 154 G HA2 0.580 4.541 3.960 0.002 0.000 0.316 154 G HA3 0.580 4.541 3.960 0.002 0.000 0.316 154 G C -1.348 173.644 174.900 0.153 0.000 1.129 154 G CA -0.365 44.715 45.100 -0.032 0.000 0.899 154 G HN 0.454 nan 8.290 nan 0.000 0.448 155 L N 3.174 124.442 121.223 0.075 0.000 2.298 155 L HA 0.724 5.065 4.340 0.002 0.000 0.284 155 L C -1.285 175.658 176.870 0.121 0.000 1.013 155 L CA -0.913 54.055 54.840 0.215 0.000 0.824 155 L CB 0.503 42.712 42.059 0.251 0.000 1.221 155 L HN 0.336 nan 8.230 nan 0.000 0.418 156 F N 3.018 123.018 119.950 0.083 0.000 2.483 156 F HA 0.865 5.393 4.527 0.002 0.000 0.329 156 F C 0.948 176.802 175.800 0.089 0.000 1.064 156 F CA -0.524 57.532 58.000 0.092 0.000 0.986 156 F CB 1.739 40.785 39.000 0.077 0.000 1.218 156 F HN 0.677 nan 8.300 nan 0.000 0.484 157 G N 0.561 109.524 108.800 0.273 0.000 3.209 157 G HA2 0.371 4.332 3.960 0.002 0.000 0.686 157 G HA3 0.371 4.332 3.960 0.002 0.000 0.686 157 G C -0.247 174.745 174.900 0.153 0.000 1.065 157 G CA -0.717 44.496 45.100 0.188 0.000 0.812 157 G HN 1.092 nan 8.290 nan 0.000 0.573 158 G N 0.596 109.475 108.800 0.133 0.000 2.531 158 G HA2 0.882 4.844 3.960 0.002 0.000 0.253 158 G HA3 0.882 4.844 3.960 0.002 0.000 0.253 158 G C 1.026 175.985 174.900 0.099 0.000 1.439 158 G CA 0.460 45.627 45.100 0.112 0.000 1.056 158 G HN 2.231 nan 8.290 nan 0.000 0.555 159 A N -2.339 120.531 122.820 0.083 0.000 2.466 159 A HA 0.517 4.838 4.320 0.002 0.000 0.238 159 A C 1.450 179.075 177.584 0.069 0.000 1.074 159 A CA 1.379 53.459 52.037 0.072 0.000 0.774 159 A CB -0.206 18.828 19.000 0.058 0.000 1.015 159 A HN 2.446 nan 8.150 nan 0.000 0.498 160 G N -1.064 107.774 108.800 0.064 0.000 2.278 160 G HA2 -0.136 3.825 3.960 0.002 0.000 0.210 160 G HA3 -0.136 3.825 3.960 0.002 0.000 0.210 160 G C 0.732 175.680 174.900 0.080 0.000 1.000 160 G CA 0.663 45.803 45.100 0.067 0.000 0.635 160 G HN 2.194 nan 8.290 nan 0.000 0.495 161 V N -1.348 118.615 119.914 0.081 0.000 3.483 161 V HA 0.640 4.761 4.120 0.002 0.000 0.301 161 V C 1.600 177.740 176.094 0.077 0.000 1.389 161 V CA 0.942 63.298 62.300 0.092 0.000 1.101 161 V CB -0.087 31.787 31.823 0.084 0.000 0.971 161 V HN 2.200 nan 8.190 nan 0.000 0.434 162 G N 1.578 110.404 108.800 0.044 0.000 2.272 162 G HA2 -0.359 3.603 3.960 0.002 0.000 0.280 162 G HA3 -0.359 3.603 3.960 0.002 0.000 0.280 162 G C 0.775 175.699 174.900 0.040 0.000 1.067 162 G CA 0.884 45.974 45.100 -0.016 0.000 0.902 162 G HN 0.682 nan 8.290 nan 0.000 0.500 163 K N -0.240 120.218 120.400 0.097 0.000 2.020 163 K HA -0.214 4.107 4.320 0.002 0.000 0.212 163 K C 2.953 179.667 176.600 0.189 0.000 1.050 163 K CA 2.593 58.988 56.287 0.181 0.000 0.929 163 K CB -0.443 32.164 32.500 0.178 0.000 0.714 163 K HN 0.670 nan 8.250 nan 0.000 0.443 164 T N -1.291 113.322 114.554 0.099 0.000 2.759 164 T HA -0.126 4.225 4.350 0.002 0.000 0.269 164 T C 1.962 176.654 174.700 -0.014 0.000 1.042 164 T CA 1.614 63.743 62.100 0.049 0.000 1.140 164 T CB -0.701 68.164 68.868 -0.004 0.000 0.864 164 T HN 0.050 nan 8.240 nan 0.000 0.455 165 V N 0.555 120.420 119.914 -0.082 0.000 2.515 165 V HA -0.001 4.120 4.120 0.002 0.000 0.250 165 V C 2.172 178.241 176.094 -0.041 0.000 1.058 165 V CA 1.483 63.649 62.300 -0.223 0.000 1.064 165 V CB -1.045 30.497 31.823 -0.469 0.000 0.675 165 V HN 0.492 nan 8.190 nan 0.000 0.461 166 F N -0.006 119.935 119.950 -0.015 0.000 2.558 166 F HA 0.048 4.576 4.527 0.002 0.000 0.298 166 F C 1.845 177.770 175.800 0.209 0.000 1.119 166 F CA 0.942 59.070 58.000 0.213 0.000 1.451 166 F CB -0.043 39.096 39.000 0.231 0.000 1.091 166 F HN 0.063 nan 8.300 nan 0.000 0.563 167 I N -0.396 120.219 120.570 0.074 0.000 2.270 167 I HA -0.221 3.950 4.170 0.002 0.000 0.239 167 I C 2.162 178.160 176.117 -0.199 0.000 1.080 167 I CA 0.799 62.072 61.300 -0.045 0.000 1.383 167 I CB -0.664 37.337 38.000 0.003 0.000 1.097 167 I HN 0.013 nan 8.210 nan 0.000 0.420 168 Q N 0.554 120.263 119.800 -0.151 0.000 2.248 168 Q HA -0.283 4.058 4.340 0.002 0.000 0.208 168 Q C 1.906 177.852 176.000 -0.091 0.000 0.984 168 Q CA 1.632 57.347 55.803 -0.146 0.000 0.875 168 Q CB -0.171 28.491 28.738 -0.128 0.000 0.910 168 Q HN 0.373 nan 8.270 nan 0.000 0.433 169 E N 1.217 121.393 120.200 -0.040 0.000 2.017 169 E HA -0.152 4.199 4.350 0.002 0.000 0.193 169 E C 1.746 178.290 176.600 -0.094 0.000 0.997 169 E CA 1.154 57.551 56.400 -0.004 0.000 0.804 169 E CB -0.310 29.478 29.700 0.146 0.000 0.757 169 E HN 0.313 nan 8.360 nan 0.000 0.448 170 L N 0.393 121.519 121.223 -0.162 0.000 2.189 170 L HA -0.193 4.148 4.340 0.002 0.000 0.214 170 L C 2.441 179.307 176.870 -0.006 0.000 1.097 170 L CA 0.964 55.733 54.840 -0.118 0.000 0.764 170 L CB -0.513 41.500 42.059 -0.077 0.000 0.900 170 L HN 0.259 nan 8.230 nan 0.000 0.436 171 I N -0.492 120.066 120.570 -0.021 0.000 2.353 171 I HA -0.224 3.947 4.170 0.002 0.000 0.248 171 I C 2.300 178.411 176.117 -0.011 0.000 1.119 171 I CA 1.065 62.364 61.300 -0.002 0.000 1.417 171 I CB -0.336 37.616 38.000 -0.080 0.000 1.078 171 I HN 0.313 nan 8.210 nan 0.000 0.421 172 N N 1.432 120.111 118.700 -0.035 0.000 2.092 172 N HA -0.163 4.579 4.740 0.002 0.000 0.189 172 N C 1.613 177.095 175.510 -0.046 0.000 1.040 172 N CA 1.557 54.586 53.050 -0.035 0.000 0.845 172 N CB -0.152 38.314 38.487 -0.036 0.000 1.017 172 N HN 0.134 nan 8.380 nan 0.000 0.426 173 N N 0.794 119.458 118.700 -0.061 0.000 2.021 173 N HA -0.162 4.579 4.740 0.002 0.000 0.198 173 N C 1.677 177.148 175.510 -0.064 0.000 1.041 173 N CA 1.322 54.327 53.050 -0.076 0.000 0.862 173 N CB -0.557 37.872 38.487 -0.098 0.000 1.048 173 N HN 0.307 nan 8.380 nan 0.000 0.427 174 I N 1.352 121.908 120.570 -0.023 0.000 2.335 174 I HA -0.155 4.016 4.170 0.002 0.000 0.251 174 I C 2.214 178.326 176.117 -0.009 0.000 1.129 174 I CA 0.586 61.910 61.300 0.041 0.000 1.402 174 I CB -1.569 36.479 38.000 0.080 0.000 1.069 174 I HN 0.034 nan 8.210 nan 0.000 0.424 175 A N 0.135 122.931 122.820 -0.040 0.000 2.121 175 A HA -0.123 4.198 4.320 0.002 0.000 0.218 175 A C 2.190 179.716 177.584 -0.097 0.000 1.154 175 A CA 1.167 53.155 52.037 -0.081 0.000 0.679 175 A CB -0.154 18.818 19.000 -0.046 0.000 0.795 175 A HN 0.237 nan 8.150 nan 0.000 0.458 176 K N -1.235 119.111 120.400 -0.089 0.000 2.365 176 K HA 0.340 4.661 4.320 0.002 0.000 0.195 176 K C 1.924 178.446 176.600 -0.130 0.000 1.079 176 K CA 1.008 57.237 56.287 -0.097 0.000 0.979 176 K CB -0.097 32.354 32.500 -0.082 0.000 0.929 176 K HN 0.362 nan 8.250 nan 0.000 0.523 177 A N 0.715 123.428 122.820 -0.178 0.000 1.901 177 A HA -0.009 4.312 4.320 0.002 0.000 0.210 177 A C 1.561 178.909 177.584 -0.394 0.000 1.208 177 A CA 0.751 52.601 52.037 -0.311 0.000 0.644 177 A CB -0.251 18.498 19.000 -0.419 0.000 0.863 177 A HN 0.182 nan 8.150 nan 0.000 0.454 178 H N -1.424 117.595 119.070 -0.085 0.000 2.740 178 H HA 0.229 4.786 4.556 0.002 0.000 0.265 178 H C 1.564 176.810 175.328 -0.136 0.000 0.978 178 H CA 0.514 56.506 56.048 -0.093 0.000 1.198 178 H CB 0.276 29.989 29.762 -0.081 0.000 1.467 178 H HN 0.598 nan 8.280 nan 0.000 0.511 179 G N 1.361 110.116 108.800 -0.075 0.000 2.203 179 G HA2 -0.250 3.711 3.960 0.002 0.000 0.263 179 G HA3 -0.250 3.711 3.960 0.002 0.000 0.263 179 G C 0.726 175.420 174.900 -0.342 0.000 1.012 179 G CA 0.456 45.436 45.100 -0.199 0.000 0.749 179 G HN 0.670 nan 8.290 nan 0.000 0.512 180 G N -0.732 107.933 108.800 -0.224 0.000 2.356 180 G HA2 0.633 4.594 3.960 0.002 0.000 0.298 180 G HA3 0.633 4.594 3.960 0.002 0.000 0.298 180 G C 0.093 174.839 174.900 -0.258 0.000 1.145 180 G CA -0.826 44.112 45.100 -0.270 0.000 0.850 180 G HN 0.153 nan 8.290 nan 0.000 0.487 181 F N 0.646 120.529 119.950 -0.113 0.000 2.408 181 F HA 0.472 5.000 4.527 0.002 0.000 0.303 181 F C 1.199 177.010 175.800 0.018 0.000 1.268 181 F CA -0.003 57.927 58.000 -0.115 0.000 1.218 181 F CB 0.832 39.635 39.000 -0.329 0.000 1.283 181 F HN 0.278 nan 8.300 nan 0.000 0.545 182 S N -0.565 115.311 115.700 0.293 0.000 2.570 182 S HA 0.753 5.224 4.470 0.002 0.000 0.286 182 S C -1.358 173.397 174.600 0.257 0.000 1.099 182 S CA -0.779 57.585 58.200 0.274 0.000 0.913 182 S CB 2.236 65.581 63.200 0.242 0.000 1.085 182 S HN 0.266 nan 8.310 nan 0.000 0.480 183 V N 2.685 122.772 119.914 0.289 0.000 2.482 183 V HA 0.451 4.572 4.120 0.002 0.000 0.295 183 V C -1.224 175.017 176.094 0.245 0.000 1.026 183 V CA -0.604 61.830 62.300 0.223 0.000 0.856 183 V CB 1.111 33.039 31.823 0.175 0.000 1.001 183 V HN 0.843 nan 8.190 nan 0.000 0.424 184 F N 3.689 123.652 119.950 0.022 0.000 2.410 184 F HA 0.687 5.215 4.527 0.002 0.000 0.349 184 F C 0.419 176.165 175.800 -0.090 0.000 1.117 184 F CA 0.235 58.230 58.000 -0.007 0.000 1.104 184 F CB 1.463 40.396 39.000 -0.113 0.000 1.122 184 F HN 0.464 nan 8.300 nan 0.000 0.483 185 T N 4.600 118.953 114.554 -0.335 0.000 2.841 185 T HA 0.562 4.913 4.350 0.002 0.000 0.285 185 T C -0.202 174.378 174.700 -0.201 0.000 0.991 185 T CA -0.700 61.289 62.100 -0.184 0.000 0.966 185 T CB 1.336 70.120 68.868 -0.141 0.000 0.962 185 T HN 0.846 nan 8.240 nan 0.000 0.438 186 G N 1.806 110.665 108.800 0.098 0.000 2.468 186 G HA2 0.551 4.512 3.960 0.002 0.000 0.315 186 G HA3 0.551 4.512 3.960 0.002 0.000 0.315 186 G C -0.674 174.348 174.900 0.205 0.000 1.203 186 G CA -0.427 44.844 45.100 0.285 0.000 0.962 186 G HN 0.667 nan 8.290 nan 0.000 0.476 187 V N 2.552 122.549 119.914 0.137 0.000 2.348 187 V HA 0.575 4.697 4.120 0.002 0.000 0.270 187 V C 1.237 177.406 176.094 0.125 0.000 1.037 187 V CA 0.612 62.989 62.300 0.129 0.000 0.872 187 V CB 0.775 32.678 31.823 0.134 0.000 1.002 187 V HN 1.438 nan 8.190 nan 0.000 0.464 188 G N 3.933 112.799 108.800 0.111 0.000 2.273 188 G HA2 -0.248 3.713 3.960 0.002 0.000 0.280 188 G HA3 -0.248 3.713 3.960 0.002 0.000 0.280 188 G C 0.044 175.000 174.900 0.094 0.000 1.047 188 G CA 0.460 45.611 45.100 0.084 0.000 0.869 188 G HN 0.850 nan 8.290 nan 0.000 0.502 189 E N 0.177 120.456 120.200 0.132 0.000 2.384 189 E HA 0.375 4.726 4.350 0.002 0.000 0.266 189 E C 1.083 177.710 176.600 0.046 0.000 1.012 189 E CA -0.419 56.059 56.400 0.129 0.000 0.901 189 E CB 0.302 30.139 29.700 0.228 0.000 0.967 189 E HN 0.460 nan 8.360 nan 0.000 0.435 190 R N 3.479 123.991 120.500 0.021 0.000 2.421 190 R HA 0.040 4.381 4.340 0.002 0.000 0.305 190 R C 0.961 177.226 176.300 -0.059 0.000 1.039 190 R CA 0.385 56.478 56.100 -0.011 0.000 1.003 190 R CB 0.255 30.551 30.300 -0.007 0.000 0.959 190 R HN 0.664 nan 8.270 nan 0.000 0.427 191 T N 2.277 116.797 114.554 -0.056 0.000 2.778 191 T HA -0.235 4.117 4.350 0.002 0.000 0.269 191 T C 1.742 176.380 174.700 -0.103 0.000 1.050 191 T CA 1.400 63.446 62.100 -0.089 0.000 1.137 191 T CB -0.141 68.693 68.868 -0.057 0.000 0.860 191 T HN 0.539 nan 8.240 nan 0.000 0.468 192 R N 1.003 121.461 120.500 -0.069 0.000 2.070 192 R HA -0.105 4.237 4.340 0.002 0.000 0.232 192 R C 2.377 178.630 176.300 -0.079 0.000 1.138 192 R CA 1.731 57.795 56.100 -0.060 0.000 0.936 192 R CB -0.131 30.148 30.300 -0.034 0.000 0.839 192 R HN 0.480 nan 8.270 nan 0.000 0.429 193 E N -0.881 119.274 120.200 -0.075 0.000 2.110 193 E HA -0.132 4.219 4.350 0.002 0.000 0.193 193 E C 1.907 178.407 176.600 -0.167 0.000 0.988 193 E CA 1.011 57.364 56.400 -0.078 0.000 0.804 193 E CB -0.223 29.459 29.700 -0.031 0.000 0.745 193 E HN 0.605 nan 8.360 nan 0.000 0.458 194 G N 1.511 110.139 108.800 -0.288 0.000 2.469 194 G HA2 -0.372 3.590 3.960 0.002 0.000 0.220 194 G HA3 -0.372 3.590 3.960 0.002 0.000 0.220 194 G C 1.454 176.098 174.900 -0.426 0.000 1.136 194 G CA 1.266 45.989 45.100 -0.628 0.000 0.759 194 G HN 0.186 nan 8.290 nan 0.000 0.562 195 N N 0.998 119.556 118.700 -0.236 0.000 2.062 195 N HA -0.098 4.643 4.740 0.002 0.000 0.191 195 N C 1.741 177.227 175.510 -0.039 0.000 1.042 195 N CA 1.710 54.687 53.050 -0.122 0.000 0.845 195 N CB -0.296 38.136 38.487 -0.091 0.000 1.024 195 N HN 0.166 nan 8.380 nan 0.000 0.424 196 D N -0.117 120.254 120.400 -0.049 0.000 2.218 196 D HA -0.133 4.508 4.640 0.002 0.000 0.204 196 D C 1.865 178.158 176.300 -0.010 0.000 0.976 196 D CA 0.449 54.440 54.000 -0.015 0.000 0.853 196 D CB -0.146 40.645 40.800 -0.015 0.000 0.939 196 D HN 0.277 nan 8.370 nan 0.000 0.481 197 L N 0.054 121.248 121.223 -0.049 0.000 1.973 197 L HA -0.157 4.184 4.340 0.002 0.000 0.208 197 L C 2.318 179.186 176.870 -0.004 0.000 1.073 197 L CA 1.474 56.277 54.840 -0.061 0.000 0.746 197 L CB -1.111 40.867 42.059 -0.136 0.000 0.891 197 L HN -0.034 nan 8.230 nan 0.000 0.433 198 Y N 0.577 120.828 120.300 -0.083 0.000 2.096 198 Y HA -0.382 4.170 4.550 0.002 0.000 0.278 198 Y C 2.964 178.851 175.900 -0.021 0.000 1.192 198 Y CA 2.681 60.772 58.100 -0.015 0.000 1.143 198 Y CB -0.263 38.201 38.460 0.008 0.000 0.963 198 Y HN 0.253 nan 8.280 nan 0.000 0.505 199 R N 0.331 120.909 120.500 0.129 0.000 2.075 199 R HA -0.207 4.134 4.340 0.002 0.000 0.232 199 R C 2.375 178.670 176.300 -0.010 0.000 1.126 199 R CA 1.841 57.973 56.100 0.054 0.000 0.963 199 R CB -0.449 29.897 30.300 0.076 0.000 0.858 199 R HN 0.564 nan 8.270 nan 0.000 0.435 200 E N 0.256 120.461 120.200 0.009 0.000 2.077 200 E HA -0.206 4.145 4.350 0.002 0.000 0.193 200 E C 1.965 178.568 176.600 0.005 0.000 0.989 200 E CA 1.530 57.957 56.400 0.045 0.000 0.800 200 E CB -0.018 29.714 29.700 0.054 0.000 0.746 200 E HN 0.404 nan 8.360 nan 0.000 0.452 201 M N 0.084 119.637 119.600 -0.079 0.000 2.358 201 M HA -0.134 4.347 4.480 0.002 0.000 0.264 201 M C 1.886 178.108 176.300 -0.130 0.000 1.064 201 M CA 1.267 56.493 55.300 -0.123 0.000 1.093 201 M CB -0.028 32.462 32.600 -0.184 0.000 1.401 201 M HN -0.031 nan 8.290 nan 0.000 0.440 202 K N 0.104 120.412 120.400 -0.153 0.000 2.305 202 K HA -0.037 4.285 4.320 0.002 0.000 0.199 202 K C 1.470 178.038 176.600 -0.054 0.000 1.047 202 K CA 0.716 56.923 56.287 -0.133 0.000 0.976 202 K CB 0.113 32.514 32.500 -0.166 0.000 0.765 202 K HN 0.438 nan 8.250 nan 0.000 0.474 203 E N -0.038 120.156 120.200 -0.011 0.000 2.250 203 E HA -0.076 4.275 4.350 0.002 0.000 0.192 203 E C 1.842 178.502 176.600 0.100 0.000 0.986 203 E CA 0.851 57.268 56.400 0.028 0.000 0.849 203 E CB 0.234 29.951 29.700 0.029 0.000 0.797 203 E HN 0.115 nan 8.360 nan 0.000 0.482 204 T N -1.385 113.236 114.554 0.112 0.000 2.937 204 T HA 0.057 4.408 4.350 0.002 0.000 0.260 204 T C 1.424 176.146 174.700 0.038 0.000 1.051 204 T CA 1.522 63.688 62.100 0.111 0.000 1.141 204 T CB 0.033 68.916 68.868 0.024 0.000 0.879 204 T HN 0.377 nan 8.240 nan 0.000 0.459 205 G N -0.096 108.702 108.800 -0.002 0.000 2.205 205 G HA2 -0.249 3.712 3.960 0.002 0.000 0.180 205 G HA3 -0.249 3.712 3.960 0.002 0.000 0.180 205 G C 1.127 176.009 174.900 -0.031 0.000 1.004 205 G CA 0.543 45.633 45.100 -0.016 0.000 0.670 205 G HN 1.117 nan 8.290 nan 0.000 0.496 206 V N -1.193 118.693 119.914 -0.046 0.000 2.759 206 V HA 0.401 4.522 4.120 0.002 0.000 0.256 206 V C 1.074 177.129 176.094 -0.065 0.000 1.080 206 V CA 1.482 63.749 62.300 -0.054 0.000 1.101 206 V CB -0.299 31.478 31.823 -0.077 0.000 0.698 206 V HN 0.493 nan 8.190 nan 0.000 0.477 207 I N 1.545 122.062 120.570 -0.089 0.000 2.468 207 I HA 0.472 4.643 4.170 0.002 0.000 0.284 207 I C -0.943 175.113 176.117 -0.102 0.000 1.038 207 I CA -0.305 60.928 61.300 -0.112 0.000 1.083 207 I CB 1.570 39.454 38.000 -0.192 0.000 1.223 207 I HN 0.094 nan 8.210 nan 0.000 0.443 208 N N 5.436 124.094 118.700 -0.069 0.000 2.372 208 N HA 0.493 5.234 4.740 0.002 0.000 0.285 208 N C 0.490 175.975 175.510 -0.042 0.000 1.008 208 N CA -0.546 52.473 53.050 -0.051 0.000 0.880 208 N CB 1.911 40.379 38.487 -0.031 0.000 1.239 208 N HN 0.510 nan 8.380 nan 0.000 0.484 209 L N 1.871 123.072 121.223 -0.035 0.000 2.023 209 L HA 0.000 4.341 4.340 0.002 0.000 0.205 209 L C 1.661 178.526 176.870 -0.008 0.000 1.073 209 L CA 1.160 55.991 54.840 -0.015 0.000 0.745 209 L CB -0.219 41.840 42.059 -0.001 0.000 0.900 209 L HN 0.644 nan 8.230 nan 0.000 0.435 210 E N 0.112 120.307 120.200 -0.008 0.000 2.072 210 E HA -0.067 4.284 4.350 0.002 0.000 0.190 210 E C 1.630 178.226 176.600 -0.006 0.000 0.982 210 E CA 0.816 57.213 56.400 -0.005 0.000 0.803 210 E CB -0.101 29.596 29.700 -0.005 0.000 0.755 210 E HN 0.516 nan 8.360 nan 0.000 0.453 211 G N 0.859 109.653 108.800 -0.009 0.000 3.229 211 G HA2 0.078 4.039 3.960 0.002 0.000 0.165 211 G HA3 0.078 4.039 3.960 0.002 0.000 0.165 211 G C -0.076 174.820 174.900 -0.007 0.000 1.753 211 G CA -0.349 44.748 45.100 -0.006 0.000 1.054 211 G HN -0.065 nan 8.290 nan 0.000 0.544 212 E N 0.220 120.417 120.200 -0.004 0.000 2.218 212 E HA 0.462 4.813 4.350 0.002 0.000 0.263 212 E C -0.707 175.888 176.600 -0.009 0.000 0.879 212 E CA -0.397 56.001 56.400 -0.003 0.000 0.762 212 E CB 1.781 31.494 29.700 0.021 0.000 1.166 212 E HN 0.195 nan 8.360 nan 0.000 0.415 213 S N 1.718 117.395 115.700 -0.038 0.000 2.632 213 S HA 0.272 4.743 4.470 0.002 0.000 0.267 213 S C 1.017 175.594 174.600 -0.038 0.000 1.276 213 S CA -0.453 57.717 58.200 -0.049 0.000 0.998 213 S CB 1.296 64.452 63.200 -0.074 0.000 0.953 213 S HN 0.361 nan 8.310 nan 0.000 0.547 214 K N -0.086 120.317 120.400 0.004 0.000 2.425 214 K HA 0.311 4.632 4.320 0.002 0.000 0.201 214 K C -0.429 176.231 176.600 0.099 0.000 1.128 214 K CA 0.132 56.502 56.287 0.138 0.000 1.000 214 K CB 1.052 33.641 32.500 0.148 0.000 0.961 214 K HN 0.330 nan 8.250 nan 0.000 0.555 215 V N 0.732 120.647 119.914 0.002 0.000 2.760 215 V HA 0.698 4.819 4.120 0.002 0.000 0.309 215 V C -1.764 174.326 176.094 -0.007 0.000 1.077 215 V CA -0.832 61.480 62.300 0.020 0.000 0.910 215 V CB 1.708 33.533 31.823 0.003 0.000 1.008 215 V HN 0.139 nan 8.190 nan 0.000 0.424 216 A N 7.013 129.853 122.820 0.034 0.000 2.301 216 A HA 0.844 5.166 4.320 0.002 0.000 0.312 216 A C -0.825 176.758 177.584 -0.000 0.000 1.182 216 A CA -0.598 51.452 52.037 0.021 0.000 0.826 216 A CB 0.708 19.741 19.000 0.056 0.000 1.134 216 A HN 0.907 nan 8.150 nan 0.000 0.501 217 L N 2.519 123.707 121.223 -0.059 0.000 2.307 217 L HA 0.579 4.920 4.340 0.002 0.000 0.284 217 L C -0.909 175.787 176.870 -0.289 0.000 1.023 217 L CA -0.740 53.957 54.840 -0.238 0.000 0.810 217 L CB 1.848 43.760 42.059 -0.246 0.000 1.231 217 L HN 0.402 nan 8.230 nan 0.000 0.423 218 V N 3.735 123.407 119.914 -0.403 0.000 2.454 218 V HA 0.316 4.437 4.120 0.002 0.000 0.267 218 V C -0.541 175.425 176.094 -0.213 0.000 0.993 218 V CA -0.407 61.755 62.300 -0.230 0.000 0.836 218 V CB 0.783 32.549 31.823 -0.096 0.000 1.055 218 V HN 0.387 nan 8.190 nan 0.000 0.452 219 F N 1.475 121.497 119.950 0.120 0.000 2.377 219 F HA 0.752 5.280 4.527 0.002 0.000 0.328 219 F C 1.101 176.946 175.800 0.075 0.000 1.094 219 F CA -0.804 57.268 58.000 0.120 0.000 1.093 219 F CB 1.564 40.624 39.000 0.100 0.000 1.214 219 F HN 0.423 nan 8.300 nan 0.000 0.518 220 G N 2.059 111.029 108.800 0.282 0.000 3.378 220 G HA2 0.349 4.310 3.960 0.002 0.000 0.332 220 G HA3 0.349 4.310 3.960 0.002 0.000 0.332 220 G C -0.835 174.146 174.900 0.135 0.000 1.490 220 G CA -0.591 44.607 45.100 0.163 0.000 1.068 220 G HN 0.572 nan 8.290 nan 0.000 0.492 221 Q N 1.025 120.889 119.800 0.107 0.000 2.379 221 Q HA -0.000 4.341 4.340 0.002 0.000 0.320 221 Q C 1.437 177.468 176.000 0.051 0.000 1.153 221 Q CA 0.517 56.358 55.803 0.063 0.000 0.993 221 Q CB 0.886 29.646 28.738 0.036 0.000 1.265 221 Q HN 0.604 nan 8.270 nan 0.000 0.423 222 M N 1.275 120.897 119.600 0.035 0.000 2.349 222 M HA -0.099 4.382 4.480 0.002 0.000 0.266 222 M C 1.091 177.403 176.300 0.019 0.000 1.076 222 M CA 1.058 56.375 55.300 0.028 0.000 1.126 222 M CB -0.393 32.220 32.600 0.022 0.000 1.392 222 M HN 0.600 nan 8.290 nan 0.000 0.440 223 N N 0.926 119.635 118.700 0.015 0.000 2.501 223 N HA 0.000 4.741 4.740 0.002 0.000 0.195 223 N C -0.433 175.085 175.510 0.013 0.000 1.213 223 N CA 0.238 53.294 53.050 0.010 0.000 0.864 223 N CB -0.237 38.253 38.487 0.006 0.000 0.999 223 N HN 0.375 nan 8.380 nan 0.000 0.454 224 E N 0.963 121.174 120.200 0.019 0.000 2.248 224 E HA 0.290 4.641 4.350 0.002 0.000 0.272 224 E C -2.326 174.283 176.600 0.016 0.000 1.008 224 E CA -2.375 54.037 56.400 0.021 0.000 0.856 224 E CB 0.943 30.662 29.700 0.031 0.000 1.120 224 E HN 0.226 nan 8.360 nan 0.000 0.397 225 P HA 0.049 nan 4.420 nan 0.000 0.272 225 P C -2.310 174.994 177.300 0.007 0.000 1.223 225 P CA -1.342 61.763 63.100 0.008 0.000 0.784 225 P CB 0.482 32.188 31.700 0.010 0.000 0.923 226 P HA -0.216 nan 4.420 nan 0.000 0.217 226 P C 1.709 179.006 177.300 -0.006 0.000 1.151 226 P CA 2.237 65.328 63.100 -0.015 0.000 0.849 226 P CB -0.495 31.188 31.700 -0.028 0.000 0.787 227 G N 0.128 108.930 108.800 0.005 0.000 2.491 227 G HA2 -0.315 3.646 3.960 0.002 0.000 0.218 227 G HA3 -0.315 3.646 3.960 0.002 0.000 0.218 227 G C 1.667 176.584 174.900 0.028 0.000 1.180 227 G CA 1.216 46.326 45.100 0.017 0.000 0.774 227 G HN 0.371 nan 8.290 nan 0.000 0.562 228 A N 0.585 123.422 122.820 0.028 0.000 1.929 228 A HA 0.065 4.386 4.320 0.002 0.000 0.216 228 A C 2.452 180.065 177.584 0.048 0.000 1.176 228 A CA 1.546 53.605 52.037 0.036 0.000 0.628 228 A CB -0.342 18.679 19.000 0.034 0.000 0.816 228 A HN 0.375 nan 8.150 nan 0.000 0.444 229 R N -0.250 120.275 120.500 0.042 0.000 2.091 229 R HA -0.092 4.249 4.340 0.002 0.000 0.238 229 R C 2.086 178.438 176.300 0.087 0.000 1.136 229 R CA 1.324 57.458 56.100 0.057 0.000 0.959 229 R CB -0.455 29.862 30.300 0.029 0.000 0.856 229 R HN 0.458 nan 8.270 nan 0.000 0.437 230 A N 0.616 123.465 122.820 0.049 0.000 2.235 230 A HA 0.029 4.351 4.320 0.002 0.000 0.208 230 A C 1.345 179.029 177.584 0.168 0.000 1.172 230 A CA 0.548 52.612 52.037 0.045 0.000 0.786 230 A CB 0.119 19.072 19.000 -0.077 0.000 0.804 230 A HN 0.080 nan 8.150 nan 0.000 0.479 231 R N -1.546 119.032 120.500 0.129 0.000 2.469 231 R HA 0.157 4.498 4.340 0.002 0.000 0.250 231 R C 1.564 177.899 176.300 0.058 0.000 0.909 231 R CA 0.700 56.854 56.100 0.091 0.000 1.050 231 R CB -0.783 29.537 30.300 0.033 0.000 1.256 231 R HN 0.332 nan 8.270 nan 0.000 0.550 232 V N 1.819 121.780 119.914 0.079 0.000 2.282 232 V HA -0.280 3.841 4.120 0.002 0.000 0.249 232 V C 2.566 178.660 176.094 0.001 0.000 1.057 232 V CA 2.349 64.676 62.300 0.045 0.000 1.032 232 V CB -0.890 30.977 31.823 0.072 0.000 0.645 232 V HN 0.279 nan 8.190 nan 0.000 0.447 233 A N -0.081 122.738 122.820 -0.002 0.000 1.883 233 A HA -0.178 4.144 4.320 0.002 0.000 0.217 233 A C 2.216 179.722 177.584 -0.129 0.000 1.186 233 A CA 2.037 53.988 52.037 -0.143 0.000 0.624 233 A CB -0.596 18.151 19.000 -0.423 0.000 0.822 233 A HN 0.533 nan 8.150 nan 0.000 0.444 234 L N -0.830 120.347 121.223 -0.077 0.000 2.131 234 L HA -0.150 4.191 4.340 0.002 0.000 0.210 234 L C 2.731 179.542 176.870 -0.099 0.000 1.092 234 L CA 1.602 56.387 54.840 -0.091 0.000 0.759 234 L CB -1.013 40.986 42.059 -0.100 0.000 0.903 234 L HN 0.337 nan 8.230 nan 0.000 0.435 235 T N -0.160 114.345 114.554 -0.083 0.000 2.708 235 T HA -0.141 4.210 4.350 0.002 0.000 0.266 235 T C 1.830 176.487 174.700 -0.073 0.000 1.037 235 T CA 1.544 63.598 62.100 -0.078 0.000 1.146 235 T CB -0.489 68.346 68.868 -0.054 0.000 0.865 235 T HN 0.568 nan 8.240 nan 0.000 0.435 236 G N 0.880 109.640 108.800 -0.067 0.000 2.421 236 G HA2 -0.056 3.905 3.960 0.002 0.000 0.217 236 G HA3 -0.056 3.905 3.960 0.002 0.000 0.217 236 G C 1.508 176.377 174.900 -0.052 0.000 1.143 236 G CA 0.383 45.450 45.100 -0.055 0.000 0.784 236 G HN 0.386 nan 8.290 nan 0.000 0.541 237 L N 1.249 122.428 121.223 -0.074 0.000 2.017 237 L HA -0.002 4.339 4.340 0.002 0.000 0.208 237 L C 2.897 179.733 176.870 -0.055 0.000 1.073 237 L CA 2.510 57.310 54.840 -0.068 0.000 0.745 237 L CB -1.068 40.937 42.059 -0.090 0.000 0.894 237 L HN 0.176 nan 8.230 nan 0.000 0.432 238 T N 0.386 114.898 114.554 -0.070 0.000 2.635 238 T HA -0.244 4.107 4.350 0.002 0.000 0.267 238 T C 1.966 176.612 174.700 -0.091 0.000 1.040 238 T CA 2.354 64.409 62.100 -0.075 0.000 1.156 238 T CB -0.523 68.289 68.868 -0.094 0.000 0.863 238 T HN 0.380 nan 8.240 nan 0.000 0.430 239 I N 1.497 122.002 120.570 -0.109 0.000 2.264 239 I HA -0.221 3.950 4.170 0.002 0.000 0.248 239 I C 2.925 178.943 176.117 -0.164 0.000 1.111 239 I CA 1.252 62.454 61.300 -0.163 0.000 1.382 239 I CB -0.567 37.375 38.000 -0.097 0.000 1.060 239 I HN 0.220 nan 8.210 nan 0.000 0.418 240 A N 0.543 123.347 122.820 -0.027 0.000 1.929 240 A HA -0.175 4.147 4.320 0.002 0.000 0.216 240 A C 2.199 179.811 177.584 0.046 0.000 1.176 240 A CA 1.357 53.440 52.037 0.076 0.000 0.628 240 A CB -0.493 18.559 19.000 0.086 0.000 0.816 240 A HN 0.443 nan 8.150 nan 0.000 0.444 241 E N -1.582 118.619 120.200 0.001 0.000 2.204 241 E HA -0.200 4.151 4.350 0.002 0.000 0.195 241 E C 1.719 178.325 176.600 0.011 0.000 0.990 241 E CA 1.126 57.531 56.400 0.009 0.000 0.821 241 E CB -0.289 29.411 29.700 -0.001 0.000 0.750 241 E HN 0.755 nan 8.360 nan 0.000 0.477 242 Y N 0.736 120.908 120.300 -0.214 0.000 2.097 242 Y HA -0.253 4.298 4.550 0.002 0.000 0.282 242 Y C 1.613 177.408 175.900 -0.176 0.000 1.152 242 Y CA 1.520 59.451 58.100 -0.283 0.000 1.136 242 Y CB -0.325 37.821 38.460 -0.523 0.000 0.975 242 Y HN -0.033 nan 8.280 nan 0.000 0.498 243 F N -0.137 119.847 119.950 0.058 0.000 2.771 243 F HA 0.055 4.583 4.527 0.002 0.000 0.299 243 F C 2.426 178.210 175.800 -0.027 0.000 1.177 243 F CA 0.898 58.898 58.000 -0.000 0.000 1.450 243 F CB -0.660 38.434 39.000 0.156 0.000 1.114 243 F HN 0.051 nan 8.300 nan 0.000 0.587 244 R N 0.212 120.769 120.500 0.095 0.000 2.105 244 R HA -0.018 4.323 4.340 0.002 0.000 0.214 244 R C 1.367 177.663 176.300 -0.006 0.000 1.091 244 R CA 1.094 57.221 56.100 0.044 0.000 1.007 244 R CB 0.041 30.360 30.300 0.031 0.000 0.912 244 R HN 0.107 nan 8.270 nan 0.000 0.450 245 D N -0.227 120.150 120.400 -0.038 0.000 2.301 245 D HA -0.073 4.568 4.640 0.002 0.000 0.206 245 D C 1.340 177.586 176.300 -0.091 0.000 0.979 245 D CA 0.663 54.633 54.000 -0.051 0.000 0.874 245 D CB 0.454 41.234 40.800 -0.032 0.000 0.968 245 D HN 0.196 nan 8.370 nan 0.000 0.510 246 E N 1.644 121.734 120.200 -0.185 0.000 2.035 246 E HA -0.040 4.311 4.350 0.002 0.000 0.191 246 E C 1.521 178.048 176.600 -0.120 0.000 0.966 246 E CA 0.948 57.205 56.400 -0.237 0.000 0.823 246 E CB 0.103 29.439 29.700 -0.607 0.000 0.791 246 E HN 0.071 nan 8.360 nan 0.000 0.459 247 E N -0.524 119.634 120.200 -0.070 0.000 2.478 247 E HA 0.159 4.510 4.350 0.002 0.000 0.194 247 E C 0.159 176.759 176.600 0.000 0.000 1.045 247 E CA 0.321 56.723 56.400 0.003 0.000 0.868 247 E CB 0.248 29.998 29.700 0.084 0.000 0.885 247 E HN 0.408 nan 8.360 nan 0.000 0.505 248 G N 2.668 111.468 108.800 -0.001 0.000 2.370 248 G HA2 -0.309 3.652 3.960 0.002 0.000 0.293 248 G HA3 -0.309 3.652 3.960 0.002 0.000 0.293 248 G C -0.288 174.606 174.900 -0.010 0.000 0.992 248 G CA 0.432 45.528 45.100 -0.007 0.000 1.247 248 G HN 0.203 nan 8.290 nan 0.000 0.505 249 Q N -0.481 119.325 119.800 0.011 0.000 2.297 249 Q HA 0.388 4.730 4.340 0.002 0.000 0.269 249 Q C -0.503 175.484 176.000 -0.021 0.000 1.051 249 Q CA -1.031 54.759 55.803 -0.022 0.000 0.869 249 Q CB 1.458 30.164 28.738 -0.053 0.000 1.346 249 Q HN 0.283 nan 8.270 nan 0.000 0.457 250 D N 1.708 122.070 120.400 -0.064 0.000 2.713 250 D HA 0.107 4.748 4.640 0.002 0.000 0.229 250 D C -0.402 175.875 176.300 -0.038 0.000 1.136 250 D CA 0.133 54.077 54.000 -0.095 0.000 1.010 250 D CB 0.004 40.656 40.800 -0.246 0.000 1.084 250 D HN 0.119 nan 8.370 nan 0.000 0.495 251 V N 1.426 121.358 119.914 0.030 0.000 2.715 251 V HA 0.029 4.150 4.120 0.002 0.000 0.299 251 V C 0.472 176.611 176.094 0.076 0.000 1.054 251 V CA -0.327 62.034 62.300 0.101 0.000 1.077 251 V CB 0.895 32.843 31.823 0.209 0.000 0.972 251 V HN 0.178 nan 8.190 nan 0.000 0.484 252 L N 5.353 126.650 121.223 0.123 0.000 2.296 252 L HA 0.510 4.851 4.340 0.002 0.000 0.286 252 L C -0.457 176.491 176.870 0.131 0.000 1.023 252 L CA -0.130 54.755 54.840 0.075 0.000 0.812 252 L CB 1.353 43.491 42.059 0.133 0.000 1.223 252 L HN 0.496 nan 8.230 nan 0.000 0.421 253 L N 4.129 125.334 121.223 -0.031 0.000 2.280 253 L HA 0.592 4.933 4.340 0.002 0.000 0.287 253 L C -1.178 175.613 176.870 -0.133 0.000 1.023 253 L CA 0.114 54.957 54.840 0.006 0.000 0.819 253 L CB 0.332 42.368 42.059 -0.039 0.000 1.212 253 L HN 0.233 nan 8.230 nan 0.000 0.420 254 F N 6.081 125.968 119.950 -0.104 0.000 2.410 254 F HA 0.546 5.074 4.527 0.002 0.000 0.349 254 F C 0.170 175.741 175.800 -0.381 0.000 1.117 254 F CA -0.374 57.505 58.000 -0.202 0.000 1.104 254 F CB 1.090 39.978 39.000 -0.188 0.000 1.122 254 F HN 0.253 nan 8.300 nan 0.000 0.483 255 I N 2.844 123.311 120.570 -0.171 0.000 2.447 255 I HA 0.275 4.447 4.170 0.002 0.000 0.287 255 I C -1.331 174.703 176.117 -0.139 0.000 1.023 255 I CA -0.531 60.645 61.300 -0.207 0.000 1.083 255 I CB 2.002 39.892 38.000 -0.182 0.000 1.245 255 I HN 0.454 nan 8.210 nan 0.000 0.434 256 D N 6.021 126.338 120.400 -0.140 0.000 2.476 256 D HA 0.263 4.904 4.640 0.002 0.000 0.251 256 D C -1.193 175.151 176.300 0.073 0.000 1.291 256 D CA -0.335 53.667 54.000 0.002 0.000 0.939 256 D CB 1.074 41.913 40.800 0.064 0.000 1.221 256 D HN 0.369 nan 8.370 nan 0.000 0.567 257 N N 4.051 122.813 118.700 0.104 0.000 2.238 257 N HA 0.178 4.920 4.740 0.002 0.000 0.302 257 N C 0.736 176.337 175.510 0.152 0.000 1.072 257 N CA -0.615 52.505 53.050 0.117 0.000 0.792 257 N CB 1.726 40.310 38.487 0.162 0.000 1.425 257 N HN 0.434 nan 8.380 nan 0.000 0.478 258 I N 3.280 123.921 120.570 0.119 0.000 2.597 258 I HA -0.200 3.971 4.170 0.002 0.000 0.262 258 I C 1.451 177.747 176.117 0.299 0.000 1.194 258 I CA 1.185 62.578 61.300 0.155 0.000 1.437 258 I CB -0.474 37.583 38.000 0.096 0.000 1.096 258 I HN 0.601 nan 8.210 nan 0.000 0.451 259 F N 1.211 121.266 119.950 0.174 0.000 2.128 259 F HA -0.072 4.456 4.527 0.001 0.000 0.295 259 F C 2.475 178.396 175.800 0.202 0.000 1.100 259 F CA 1.454 59.584 58.000 0.217 0.000 1.260 259 F CB -0.481 38.681 39.000 0.270 0.000 1.009 259 F HN -0.083 nan 8.300 nan 0.000 0.476 260 R N -0.925 119.573 120.500 -0.002 0.000 2.237 260 R HA -0.153 4.188 4.340 0.002 0.000 0.219 260 R C 2.086 178.361 176.300 -0.042 0.000 1.080 260 R CA 1.219 57.245 56.100 -0.125 0.000 0.995 260 R CB -0.688 29.633 30.300 0.035 0.000 0.875 260 R HN 0.395 nan 8.270 nan 0.000 0.462 261 F N 1.025 120.930 119.950 -0.074 0.000 2.206 261 F HA -0.116 4.412 4.527 0.002 0.000 0.298 261 F C 1.936 177.707 175.800 -0.049 0.000 1.090 261 F CA 1.398 59.374 58.000 -0.040 0.000 1.323 261 F CB -0.189 38.808 39.000 -0.005 0.000 1.028 261 F HN -0.185 nan 8.300 nan 0.000 0.492 262 T N 0.376 114.858 114.554 -0.121 0.000 2.812 262 T HA -0.130 4.222 4.350 0.002 0.000 0.264 262 T C 1.873 176.443 174.700 -0.218 0.000 1.042 262 T CA 1.137 63.138 62.100 -0.165 0.000 1.140 262 T CB -0.147 68.757 68.868 0.061 0.000 0.870 262 T HN 0.227 nan 8.240 nan 0.000 0.445 263 Q N 1.072 120.667 119.800 -0.342 0.000 2.084 263 Q HA -0.004 4.337 4.340 0.002 0.000 0.202 263 Q C 2.747 178.610 176.000 -0.228 0.000 0.978 263 Q CA 1.558 57.156 55.803 -0.341 0.000 0.844 263 Q CB -0.825 27.637 28.738 -0.459 0.000 0.898 263 Q HN 0.560 nan 8.270 nan 0.000 0.426 264 A N 1.128 123.824 122.820 -0.207 0.000 1.859 264 A HA -0.166 4.155 4.320 0.002 0.000 0.217 264 A C 2.411 179.888 177.584 -0.178 0.000 1.198 264 A CA 2.183 54.125 52.037 -0.158 0.000 0.629 264 A CB -1.410 17.517 19.000 -0.122 0.000 0.830 264 A HN 0.468 nan 8.150 nan 0.000 0.446 265 G N -1.060 107.580 108.800 -0.268 0.000 2.469 265 G HA2 -0.274 3.687 3.960 0.002 0.000 0.220 265 G HA3 -0.274 3.687 3.960 0.002 0.000 0.220 265 G C 1.931 176.748 174.900 -0.139 0.000 1.136 265 G CA 1.709 46.675 45.100 -0.223 0.000 0.759 265 G HN 0.628 nan 8.290 nan 0.000 0.562 266 S N 0.115 115.729 115.700 -0.142 0.000 2.402 266 S HA -0.064 4.408 4.470 0.002 0.000 0.229 266 S C 2.229 176.765 174.600 -0.108 0.000 1.021 266 S CA 1.729 59.855 58.200 -0.123 0.000 0.974 266 S CB -0.211 62.873 63.200 -0.195 0.000 0.800 266 S HN 0.626 nan 8.310 nan 0.000 0.484 267 E N 0.080 120.216 120.200 -0.106 0.000 2.076 267 E HA -0.031 4.320 4.350 0.002 0.000 0.190 267 E C 2.150 178.716 176.600 -0.058 0.000 0.979 267 E CA 1.071 57.424 56.400 -0.078 0.000 0.807 267 E CB -0.133 29.524 29.700 -0.072 0.000 0.761 267 E HN 0.357 nan 8.360 nan 0.000 0.454 268 V N 1.120 120.997 119.914 -0.061 0.000 2.237 268 V HA -0.270 3.851 4.120 0.002 0.000 0.245 268 V C 2.416 178.489 176.094 -0.036 0.000 1.046 268 V CA 2.049 64.323 62.300 -0.043 0.000 1.007 268 V CB -0.622 31.174 31.823 -0.046 0.000 0.638 268 V HN 0.260 nan 8.190 nan 0.000 0.445 269 S N -0.362 115.312 115.700 -0.043 0.000 2.442 269 S HA -0.150 4.321 4.470 0.002 0.000 0.236 269 S C 2.002 176.586 174.600 -0.027 0.000 1.007 269 S CA 1.419 59.600 58.200 -0.031 0.000 0.965 269 S CB -0.300 62.881 63.200 -0.031 0.000 0.773 269 S HN 0.606 nan 8.310 nan 0.000 0.504 270 A N 1.332 124.131 122.820 -0.035 0.000 1.872 270 A HA 0.127 4.448 4.320 0.002 0.000 0.214 270 A C 2.134 179.705 177.584 -0.021 0.000 1.187 270 A CA 1.210 53.228 52.037 -0.031 0.000 0.614 270 A CB -0.698 18.276 19.000 -0.042 0.000 0.826 270 A HN 0.563 nan 8.150 nan 0.000 0.442 271 L N -0.437 120.774 121.223 -0.020 0.000 2.141 271 L HA -0.102 4.240 4.340 0.002 0.000 0.209 271 L C 2.334 179.200 176.870 -0.006 0.000 1.094 271 L CA 0.633 55.466 54.840 -0.012 0.000 0.763 271 L CB -0.514 41.538 42.059 -0.010 0.000 0.908 271 L HN 0.342 nan 8.230 nan 0.000 0.437 272 L N -0.324 120.895 121.223 -0.007 0.000 2.265 272 L HA -0.108 4.233 4.340 0.002 0.000 0.215 272 L C 1.768 178.637 176.870 -0.002 0.000 1.117 272 L CA 1.104 55.942 54.840 -0.003 0.000 0.782 272 L CB -0.626 41.430 42.059 -0.005 0.000 0.914 272 L HN 0.577 nan 8.230 nan 0.000 0.441 273 G N -0.655 108.142 108.800 -0.004 0.000 2.238 273 G HA2 -0.240 3.721 3.960 0.002 0.000 0.217 273 G HA3 -0.240 3.721 3.960 0.002 0.000 0.217 273 G C 0.333 175.232 174.900 -0.003 0.000 0.996 273 G CA -0.370 44.729 45.100 -0.003 0.000 0.632 273 G HN 0.287 nan 8.290 nan 0.000 0.503 274 R N 0.585 121.083 120.500 -0.005 0.000 2.566 274 R HA 0.268 4.609 4.340 0.002 0.000 0.273 274 R C 0.812 177.111 176.300 -0.002 0.000 0.981 274 R CA 0.276 56.374 56.100 -0.004 0.000 1.091 274 R CB 0.359 30.655 30.300 -0.006 0.000 0.924 274 R HN 0.408 nan 8.270 nan 0.000 0.411 275 I N 5.033 125.603 120.570 0.001 0.000 2.648 275 I HA 0.035 4.206 4.170 0.002 0.000 0.284 275 I C -1.701 174.421 176.117 0.008 0.000 1.153 275 I CA -1.781 59.521 61.300 0.004 0.000 1.426 275 I CB 0.394 38.397 38.000 0.006 0.000 1.381 275 I HN 0.277 nan 8.210 nan 0.000 0.571 276 P HA 0.078 nan 4.420 nan 0.000 0.271 276 P C -0.145 177.175 177.300 0.033 0.000 1.220 276 P CA 0.038 63.148 63.100 0.017 0.000 0.768 276 P CB 0.960 32.665 31.700 0.008 0.000 0.848 277 S N 2.564 118.296 115.700 0.054 0.000 2.484 277 S HA 0.556 5.027 4.470 0.002 0.000 0.256 277 S C 0.155 174.802 174.600 0.079 0.000 1.223 277 S CA -0.290 57.947 58.200 0.062 0.000 1.002 277 S CB -0.087 63.156 63.200 0.072 0.000 1.043 277 S HN 0.488 nan 8.310 nan 0.000 0.517 278 A N 0.021 122.889 122.820 0.081 0.000 2.477 278 A HA 0.482 4.803 4.320 0.002 0.000 0.246 278 A C 1.056 178.735 177.584 0.158 0.000 1.078 278 A CA 0.224 52.311 52.037 0.084 0.000 0.770 278 A CB -0.420 18.610 19.000 0.050 0.000 1.011 278 A HN 1.569 nan 8.150 nan 0.000 0.494 279 V N 1.215 121.218 119.914 0.148 0.000 1.882 279 V HA -0.335 3.786 4.120 0.002 0.000 0.087 279 V C 1.854 178.072 176.094 0.206 0.000 0.905 279 V CA 2.118 64.550 62.300 0.220 0.000 1.683 279 V CB -2.094 29.930 31.823 0.335 0.000 1.625 279 V HN 2.880 nan 8.190 nan 0.000 0.903 280 G N -2.713 106.177 108.800 0.150 0.000 2.238 280 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 280 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 280 G C -0.100 174.791 174.900 -0.014 0.000 0.996 280 G CA 0.078 45.190 45.100 0.021 0.000 0.632 280 G HN 0.820 nan 8.290 nan 0.000 0.503 281 Y N 2.615 122.922 120.300 0.012 0.000 2.394 281 Y HA 0.393 4.944 4.550 0.002 0.000 0.351 281 Y C 1.398 177.293 175.900 -0.008 0.000 1.272 281 Y CA 0.309 58.409 58.100 0.001 0.000 1.508 281 Y CB 0.359 38.827 38.460 0.013 0.000 1.369 281 Y HN 0.392 nan 8.280 nan 0.000 0.639 282 Q N 3.217 123.095 119.800 0.132 0.000 2.340 282 Q HA 0.142 4.483 4.340 0.002 0.000 0.249 282 Q C -2.323 173.716 176.000 0.065 0.000 0.957 282 Q CA -2.022 53.816 55.803 0.059 0.000 0.882 282 Q CB 0.794 29.542 28.738 0.016 0.000 1.235 282 Q HN 0.374 nan 8.270 nan 0.000 0.439 283 P HA -0.146 nan 4.420 nan 0.000 0.217 283 P C 1.089 178.405 177.300 0.026 0.000 1.150 283 P CA 1.856 64.975 63.100 0.032 0.000 0.832 283 P CB -0.146 31.566 31.700 0.020 0.000 0.787 284 T N -2.771 111.794 114.554 0.018 0.000 3.163 284 T HA -0.046 4.305 4.350 0.002 0.000 0.260 284 T C 1.694 176.407 174.700 0.021 0.000 1.156 284 T CA 0.143 62.251 62.100 0.014 0.000 1.072 284 T CB -1.035 67.834 68.868 0.001 0.000 0.937 284 T HN -0.125 nan 8.240 nan 0.000 0.528 285 L N 2.006 123.248 121.223 0.031 0.000 2.043 285 L HA 0.018 4.359 4.340 0.002 0.000 0.212 285 L C 2.718 179.621 176.870 0.055 0.000 1.075 285 L CA 1.909 56.773 54.840 0.040 0.000 0.752 285 L CB -1.437 40.658 42.059 0.060 0.000 0.891 285 L HN 0.355 nan 8.230 nan 0.000 0.432 286 A N -1.221 121.629 122.820 0.051 0.000 1.908 286 A HA -0.248 4.073 4.320 0.002 0.000 0.218 286 A C 2.372 180.004 177.584 0.081 0.000 1.181 286 A CA 2.724 54.799 52.037 0.064 0.000 0.627 286 A CB -1.355 17.671 19.000 0.043 0.000 0.818 286 A HN 0.672 nan 8.150 nan 0.000 0.445 287 T N -2.722 111.868 114.554 0.060 0.000 2.851 287 T HA -0.110 4.242 4.350 0.002 0.000 0.262 287 T C 1.445 176.190 174.700 0.074 0.000 1.043 287 T CA 1.299 63.435 62.100 0.059 0.000 1.140 287 T CB -0.451 68.438 68.868 0.036 0.000 0.872 287 T HN 0.372 nan 8.240 nan 0.000 0.446 288 D N 1.108 121.551 120.400 0.072 0.000 2.104 288 D HA -0.099 4.543 4.640 0.002 0.000 0.194 288 D C 1.974 178.379 176.300 0.175 0.000 0.994 288 D CA 1.368 55.427 54.000 0.099 0.000 0.830 288 D CB -0.383 40.436 40.800 0.031 0.000 0.959 288 D HN 0.318 nan 8.370 nan 0.000 0.452 289 M N 0.911 120.618 119.600 0.179 0.000 2.144 289 M HA -0.075 4.406 4.480 0.002 0.000 0.260 289 M C 1.905 178.252 176.300 0.079 0.000 1.067 289 M CA 1.774 57.202 55.300 0.213 0.000 1.095 289 M CB -0.641 32.103 32.600 0.241 0.000 1.365 289 M HN 0.003 nan 8.290 nan 0.000 0.406 290 G N -0.760 108.089 108.800 0.082 0.000 2.464 290 G HA2 -0.016 3.945 3.960 0.002 0.000 0.217 290 G HA3 -0.016 3.945 3.960 0.002 0.000 0.217 290 G C 1.213 176.112 174.900 -0.003 0.000 1.138 290 G CA 0.287 45.394 45.100 0.011 0.000 0.793 290 G HN 0.498 nan 8.290 nan 0.000 0.539 291 L N -0.073 121.179 121.223 0.047 0.000 2.675 291 L HA 0.245 4.586 4.340 0.002 0.000 0.239 291 L C 1.819 178.711 176.870 0.036 0.000 1.151 291 L CA -0.062 54.810 54.840 0.054 0.000 0.905 291 L CB 0.092 42.207 42.059 0.092 0.000 1.057 291 L HN 0.222 nan 8.230 nan 0.000 0.435 292 L N -2.293 118.918 121.223 -0.019 0.000 2.753 292 L HA 0.118 4.459 4.340 0.002 0.000 0.238 292 L C 2.093 178.869 176.870 -0.157 0.000 1.028 292 L CA 0.804 55.588 54.840 -0.093 0.000 0.966 292 L CB -0.076 41.888 42.059 -0.159 0.000 1.681 292 L HN -0.057 nan 8.230 nan 0.000 0.511 293 Q N 0.439 120.104 119.800 -0.225 0.000 2.083 293 Q HA -0.066 4.276 4.340 0.002 0.000 0.198 293 Q C 1.741 177.617 176.000 -0.207 0.000 0.969 293 Q CA 1.319 56.935 55.803 -0.312 0.000 0.838 293 Q CB -0.111 28.191 28.738 -0.726 0.000 0.900 293 Q HN 0.497 nan 8.270 nan 0.000 0.436 294 E N 0.955 121.060 120.200 -0.158 0.000 2.110 294 E HA -0.139 4.212 4.350 0.002 0.000 0.193 294 E C 1.947 178.521 176.600 -0.043 0.000 0.988 294 E CA 0.728 57.091 56.400 -0.063 0.000 0.804 294 E CB -0.178 29.512 29.700 -0.017 0.000 0.745 294 E HN 0.348 nan 8.360 nan 0.000 0.458 295 R N 0.321 120.791 120.500 -0.051 0.000 2.237 295 R HA 0.039 4.380 4.340 0.002 0.000 0.219 295 R C 0.839 177.112 176.300 -0.045 0.000 1.080 295 R CA 0.428 56.506 56.100 -0.037 0.000 0.995 295 R CB -0.140 30.138 30.300 -0.037 0.000 0.875 295 R HN 0.128 nan 8.270 nan 0.000 0.462 296 I N 1.335 121.866 120.570 -0.065 0.000 2.276 296 I HA 0.110 4.281 4.170 0.002 0.000 0.290 296 I C 0.082 176.170 176.117 -0.049 0.000 1.109 296 I CA -0.041 61.221 61.300 -0.062 0.000 1.229 296 I CB 1.100 39.048 38.000 -0.088 0.000 1.452 296 I HN -0.084 nan 8.210 nan 0.000 0.497 297 T N 2.877 117.410 114.554 -0.036 0.000 2.762 297 T HA 0.353 4.705 4.350 0.002 0.000 0.301 297 T C -0.568 174.114 174.700 -0.031 0.000 1.299 297 T CA -0.355 61.727 62.100 -0.031 0.000 1.005 297 T CB 1.893 70.748 68.868 -0.022 0.000 1.377 297 T HN 0.322 nan 8.240 nan 0.000 0.504 298 T N 2.956 117.490 114.554 -0.034 0.000 2.728 298 T HA 0.540 4.891 4.350 0.002 0.000 0.296 298 T C 0.534 175.210 174.700 -0.039 0.000 0.940 298 T CA -0.429 61.648 62.100 -0.038 0.000 1.013 298 T CB 0.543 69.385 68.868 -0.044 0.000 0.912 298 T HN 0.815 nan 8.240 nan 0.000 0.484 299 T N 0.711 115.244 114.554 -0.036 0.000 2.893 299 T HA 0.438 4.789 4.350 0.002 0.000 0.279 299 T C 1.217 175.894 174.700 -0.038 0.000 0.991 299 T CA -1.004 61.074 62.100 -0.037 0.000 0.950 299 T CB 1.174 70.025 68.868 -0.029 0.000 1.223 299 T HN 0.388 nan 8.240 nan 0.000 0.585 300 K N -0.042 120.335 120.400 -0.038 0.000 2.288 300 K HA 0.037 4.358 4.320 0.002 0.000 0.201 300 K C 2.105 178.686 176.600 -0.030 0.000 1.048 300 K CA 0.848 57.113 56.287 -0.036 0.000 0.956 300 K CB 0.013 32.492 32.500 -0.036 0.000 0.746 300 K HN 0.495 nan 8.250 nan 0.000 0.461 301 K N -0.104 120.279 120.400 -0.028 0.000 2.063 301 K HA 0.068 4.389 4.320 0.002 0.000 0.204 301 K C 1.293 177.878 176.600 -0.025 0.000 1.039 301 K CA 0.901 57.173 56.287 -0.026 0.000 0.957 301 K CB 0.245 32.730 32.500 -0.025 0.000 0.764 301 K HN 0.137 nan 8.250 nan 0.000 0.447 302 G N 0.020 108.806 108.800 -0.024 0.000 3.058 302 G HA2 0.474 4.435 3.960 0.002 0.000 0.282 302 G HA3 0.474 4.435 3.960 0.002 0.000 0.282 302 G C -1.360 173.524 174.900 -0.027 0.000 1.248 302 G CA -0.436 44.651 45.100 -0.022 0.000 0.822 302 G HN 0.216 nan 8.290 nan 0.000 0.579 303 S N -2.015 113.670 115.700 -0.025 0.000 2.547 303 S HA 0.652 5.123 4.470 0.002 0.000 0.270 303 S C -1.687 172.901 174.600 -0.021 0.000 1.150 303 S CA -0.665 57.514 58.200 -0.034 0.000 0.850 303 S CB 1.828 64.993 63.200 -0.059 0.000 1.118 303 S HN 1.066 nan 8.310 nan 0.000 0.461 304 V N 2.026 121.926 119.914 -0.023 0.000 2.447 304 V HA 0.508 4.630 4.120 0.002 0.000 0.292 304 V C -0.382 175.689 176.094 -0.039 0.000 1.021 304 V CA -0.417 61.874 62.300 -0.015 0.000 0.850 304 V CB 1.559 33.379 31.823 -0.005 0.000 1.005 304 V HN 1.031 nan 8.190 nan 0.000 0.426 305 T N 3.219 117.746 114.554 -0.045 0.000 2.771 305 T HA 0.300 4.651 4.350 0.002 0.000 0.291 305 T C 0.246 174.879 174.700 -0.112 0.000 0.954 305 T CA -0.028 62.037 62.100 -0.058 0.000 1.045 305 T CB 1.297 70.147 68.868 -0.030 0.000 0.917 305 T HN 0.634 nan 8.240 nan 0.000 0.484 306 S N 2.786 118.411 115.700 -0.125 0.000 2.457 306 S HA 0.440 4.912 4.470 0.002 0.000 0.289 306 S C -0.269 174.190 174.600 -0.234 0.000 1.163 306 S CA -0.704 57.383 58.200 -0.189 0.000 1.078 306 S CB 0.238 63.347 63.200 -0.152 0.000 0.987 306 S HN 0.472 nan 8.310 nan 0.000 0.482 307 V N 7.317 126.982 119.914 -0.416 0.000 2.235 307 V HA 0.333 4.455 4.120 0.002 0.000 0.266 307 V C -0.137 175.818 176.094 -0.232 0.000 1.055 307 V CA -0.653 61.422 62.300 -0.376 0.000 0.844 307 V CB 0.384 31.739 31.823 -0.780 0.000 1.097 307 V HN 0.912 nan 8.190 nan 0.000 0.453 308 Q N 2.723 122.443 119.800 -0.132 0.000 2.312 308 Q HA 0.865 5.206 4.340 0.002 0.000 0.263 308 Q C -0.122 175.847 176.000 -0.052 0.000 0.995 308 Q CA -0.647 55.104 55.803 -0.086 0.000 0.853 308 Q CB 2.451 31.120 28.738 -0.114 0.000 1.300 308 Q HN 0.528 nan 8.270 nan 0.000 0.448 309 A N 2.531 125.345 122.820 -0.010 0.000 2.386 309 A HA 0.524 4.845 4.320 0.002 0.000 0.246 309 A C -0.344 177.171 177.584 -0.115 0.000 1.089 309 A CA -0.399 51.618 52.037 -0.034 0.000 0.790 309 A CB 0.682 19.710 19.000 0.046 0.000 1.042 309 A HN 0.592 nan 8.150 nan 0.000 0.497 310 V N 0.688 120.428 119.914 -0.290 0.000 2.760 310 V HA 0.382 4.503 4.120 0.002 0.000 0.309 310 V C -1.299 174.670 176.094 -0.208 0.000 1.077 310 V CA -0.387 61.730 62.300 -0.304 0.000 0.910 310 V CB 1.637 33.084 31.823 -0.628 0.000 1.008 310 V HN 0.812 nan 8.190 nan 0.000 0.424 311 Y N 3.941 124.156 120.300 -0.140 0.000 2.341 311 Y HA 0.689 5.239 4.550 0.002 0.000 0.338 311 Y C -0.403 175.369 175.900 -0.213 0.000 0.965 311 Y CA -0.951 57.034 58.100 -0.191 0.000 1.108 311 Y CB 1.938 40.245 38.460 -0.255 0.000 1.180 311 Y HN 0.397 nan 8.280 nan 0.000 0.458 312 V N 9.055 128.573 119.914 -0.660 0.000 2.353 312 V HA 0.286 4.407 4.120 0.002 0.000 0.264 312 V C -2.214 173.382 176.094 -0.830 0.000 1.049 312 V CA -1.973 60.025 62.300 -0.504 0.000 0.896 312 V CB 0.448 32.164 31.823 -0.179 0.000 1.025 312 V HN 0.711 nan 8.190 nan 0.000 0.475 313 P HA 0.147 nan 4.420 nan 0.000 0.261 313 P C 0.617 177.784 177.300 -0.221 0.000 1.203 313 P CA 0.640 63.493 63.100 -0.411 0.000 0.767 313 P CB 0.542 32.194 31.700 -0.080 0.000 0.785 314 A N 4.394 127.112 122.820 -0.171 0.000 2.783 314 A HA -0.246 4.075 4.320 0.002 0.000 0.292 314 A C 0.713 178.242 177.584 -0.092 0.000 1.495 314 A CA 0.944 52.934 52.037 -0.079 0.000 0.787 314 A CB -2.434 16.555 19.000 -0.019 0.000 1.017 314 A HN 0.676 nan 8.150 nan 0.000 0.516 315 D N -0.871 119.442 120.400 -0.146 0.000 2.686 315 D HA -0.174 4.467 4.640 0.002 0.000 0.235 315 D C -0.236 176.013 176.300 -0.085 0.000 1.160 315 D CA 1.895 55.833 54.000 -0.104 0.000 0.645 315 D CB -0.764 40.001 40.800 -0.058 0.000 1.039 315 D HN 0.941 nan 8.370 nan 0.000 0.423 316 D N 0.239 120.577 120.400 -0.103 0.000 2.696 316 D HA 0.258 4.899 4.640 0.002 0.000 0.251 316 D C 0.723 176.954 176.300 -0.115 0.000 1.188 316 D CA -0.623 53.325 54.000 -0.087 0.000 0.876 316 D CB 1.206 41.971 40.800 -0.058 0.000 1.334 316 D HN 0.034 nan 8.370 nan 0.000 0.540 317 L N 2.815 123.956 121.223 -0.137 0.000 2.607 317 L HA 0.050 4.392 4.340 0.002 0.000 0.228 317 L C 2.292 179.056 176.870 -0.177 0.000 1.123 317 L CA 0.480 55.194 54.840 -0.211 0.000 0.890 317 L CB 0.144 42.031 42.059 -0.288 0.000 1.103 317 L HN 0.504 nan 8.230 nan 0.000 0.468 318 T N -4.291 110.193 114.554 -0.117 0.000 3.023 318 T HA -0.103 4.248 4.350 0.002 0.000 0.266 318 T C 0.887 175.536 174.700 -0.086 0.000 1.093 318 T CA -0.040 62.005 62.100 -0.092 0.000 1.129 318 T CB -0.162 68.669 68.868 -0.062 0.000 0.899 318 T HN 0.155 nan 8.240 nan 0.000 0.491 319 D N 2.629 122.979 120.400 -0.083 0.000 2.472 319 D HA 0.061 4.702 4.640 0.002 0.000 0.237 319 D C -1.505 174.700 176.300 -0.158 0.000 1.141 319 D CA -1.655 52.293 54.000 -0.086 0.000 0.875 319 D CB 1.579 42.362 40.800 -0.029 0.000 1.192 319 D HN 0.022 nan 8.370 nan 0.000 0.450 320 P HA -0.165 nan 4.420 nan 0.000 0.214 320 P C 0.988 178.122 177.300 -0.276 0.000 1.163 320 P CA 2.195 65.107 63.100 -0.314 0.000 0.889 320 P CB 0.004 31.407 31.700 -0.494 0.000 0.790 321 A N 0.234 122.800 122.820 -0.423 0.000 1.859 321 A HA -0.176 4.145 4.320 0.002 0.000 0.217 321 A C 0.069 177.717 177.584 0.107 0.000 1.198 321 A CA 2.800 54.793 52.037 -0.073 0.000 0.629 321 A CB -2.418 16.704 19.000 0.203 0.000 0.830 321 A HN 0.242 nan 8.150 nan 0.000 0.446 322 P HA -0.131 nan 4.420 nan 0.000 0.215 322 P C 1.692 179.078 177.300 0.144 0.000 1.157 322 P CA 2.024 65.231 63.100 0.177 0.000 0.863 322 P CB -0.284 31.422 31.700 0.009 0.000 0.787 323 A N 0.112 122.919 122.820 -0.021 0.000 1.892 323 A HA -0.202 4.119 4.320 0.002 0.000 0.218 323 A C 2.389 180.005 177.584 0.053 0.000 1.188 323 A CA 2.913 54.925 52.037 -0.041 0.000 0.631 323 A CB -2.030 16.924 19.000 -0.078 0.000 0.822 323 A HN 0.229 nan 8.150 nan 0.000 0.447 324 T N -0.479 114.109 114.554 0.057 0.000 2.821 324 T HA -0.092 4.259 4.350 0.002 0.000 0.267 324 T C 2.000 176.794 174.700 0.157 0.000 1.046 324 T CA 1.805 63.950 62.100 0.075 0.000 1.139 324 T CB -0.514 68.398 68.868 0.073 0.000 0.871 324 T HN 0.586 nan 8.240 nan 0.000 0.454 325 T N 1.846 116.547 114.554 0.245 0.000 2.708 325 T HA -0.028 4.323 4.350 0.002 0.000 0.266 325 T C 1.550 176.394 174.700 0.239 0.000 1.037 325 T CA 0.996 63.260 62.100 0.273 0.000 1.146 325 T CB -0.547 68.480 68.868 0.265 0.000 0.865 325 T HN 0.264 nan 8.240 nan 0.000 0.435 326 F N 1.795 121.780 119.950 0.058 0.000 2.307 326 F HA 0.056 4.584 4.527 0.002 0.000 0.301 326 F C 2.525 178.319 175.800 -0.011 0.000 1.076 326 F CA 0.226 58.253 58.000 0.045 0.000 1.383 326 F CB -0.850 38.177 39.000 0.046 0.000 1.055 326 F HN 0.143 nan 8.300 nan 0.000 0.526 327 A N -1.266 121.600 122.820 0.078 0.000 2.178 327 A HA -0.167 4.154 4.320 0.002 0.000 0.218 327 A C 1.759 179.185 177.584 -0.262 0.000 1.157 327 A CA 1.563 53.523 52.037 -0.129 0.000 0.689 327 A CB -0.736 18.115 19.000 -0.248 0.000 0.787 327 A HN 0.461 nan 8.150 nan 0.000 0.465 328 H N -1.372 117.725 119.070 0.045 0.000 2.788 328 H HA 0.284 4.841 4.556 0.002 0.000 0.262 328 H C 0.300 175.611 175.328 -0.027 0.000 0.968 328 H CA -0.212 55.841 56.048 0.008 0.000 1.218 328 H CB -0.048 29.716 29.762 0.003 0.000 1.443 328 H HN 0.313 nan 8.280 nan 0.000 0.478 329 L N 2.282 123.532 121.223 0.046 0.000 2.525 329 L HA -0.054 4.287 4.340 0.002 0.000 0.278 329 L C 0.929 177.779 176.870 -0.034 0.000 1.218 329 L CA 0.425 55.234 54.840 -0.051 0.000 0.878 329 L CB 0.616 42.562 42.059 -0.188 0.000 1.127 329 L HN 0.141 nan 8.230 nan 0.000 0.492 330 D N 1.296 121.660 120.400 -0.060 0.000 2.455 330 D HA 0.263 4.904 4.640 0.002 0.000 0.228 330 D C 0.298 176.554 176.300 -0.074 0.000 1.070 330 D CA 0.452 54.422 54.000 -0.050 0.000 0.881 330 D CB 1.082 41.854 40.800 -0.047 0.000 1.087 330 D HN 0.573 nan 8.370 nan 0.000 0.498 331 A N 0.401 123.145 122.820 -0.126 0.000 2.594 331 A HA 0.653 4.974 4.320 0.002 0.000 0.291 331 A C -0.952 176.542 177.584 -0.149 0.000 1.105 331 A CA -0.529 51.418 52.037 -0.149 0.000 0.694 331 A CB 1.758 20.614 19.000 -0.240 0.000 1.291 331 A HN -0.030 nan 8.150 nan 0.000 0.410 332 T N -1.245 113.250 114.554 -0.098 0.000 3.011 332 T HA 0.614 4.966 4.350 0.002 0.000 0.303 332 T C -0.808 173.895 174.700 0.005 0.000 0.997 332 T CA -0.382 61.708 62.100 -0.017 0.000 1.007 332 T CB 1.132 70.003 68.868 0.006 0.000 1.017 332 T HN 0.554 nan 8.240 nan 0.000 0.443 333 T N 3.678 118.282 114.554 0.082 0.000 2.910 333 T HA 0.461 4.812 4.350 0.002 0.000 0.323 333 T C 0.451 175.219 174.700 0.113 0.000 1.091 333 T CA -0.471 61.697 62.100 0.113 0.000 0.960 333 T CB 0.333 69.359 68.868 0.263 0.000 1.024 333 T HN 0.658 nan 8.240 nan 0.000 0.509 334 V N 4.948 124.881 119.914 0.032 0.000 2.732 334 V HA 0.379 4.500 4.120 0.002 0.000 0.297 334 V C 0.213 176.313 176.094 0.010 0.000 1.060 334 V CA -0.685 61.635 62.300 0.033 0.000 1.038 334 V CB 1.116 32.885 31.823 -0.090 0.000 1.003 334 V HN 0.725 nan 8.190 nan 0.000 0.481 335 L N 3.959 125.215 121.223 0.054 0.000 2.366 335 L HA 0.408 4.749 4.340 0.002 0.000 0.266 335 L C 0.164 177.064 176.870 0.050 0.000 1.010 335 L CA 0.103 54.956 54.840 0.021 0.000 0.879 335 L CB 1.513 43.582 42.059 0.017 0.000 1.228 335 L HN 0.696 nan 8.230 nan 0.000 0.439 336 S N 1.227 116.945 115.700 0.030 0.000 2.586 336 S HA 0.301 4.772 4.470 0.002 0.000 0.274 336 S C 0.992 175.615 174.600 0.038 0.000 1.281 336 S CA -0.481 57.740 58.200 0.035 0.000 1.035 336 S CB 1.607 64.818 63.200 0.018 0.000 0.962 336 S HN 0.685 nan 8.310 nan 0.000 0.512 337 R N 3.290 123.816 120.500 0.043 0.000 2.090 337 R HA 0.115 4.456 4.340 0.002 0.000 0.228 337 R C 2.112 178.430 176.300 0.029 0.000 1.110 337 R CA 2.067 58.194 56.100 0.044 0.000 0.973 337 R CB -1.190 29.138 30.300 0.047 0.000 0.869 337 R HN 0.755 nan 8.270 nan 0.000 0.440 338 G N 0.337 109.150 108.800 0.021 0.000 2.509 338 G HA2 -0.102 3.859 3.960 0.002 0.000 0.218 338 G HA3 -0.102 3.859 3.960 0.002 0.000 0.218 338 G C 1.113 176.016 174.900 0.004 0.000 1.124 338 G CA 0.527 45.635 45.100 0.012 0.000 0.776 338 G HN 0.227 nan 8.290 nan 0.000 0.547 339 I N 1.921 122.492 120.570 0.003 0.000 2.400 339 I HA -0.070 4.102 4.170 0.002 0.000 0.248 339 I C 2.933 179.015 176.117 -0.059 0.000 1.109 339 I CA 1.569 62.862 61.300 -0.011 0.000 1.425 339 I CB -1.035 36.965 38.000 -0.000 0.000 1.094 339 I HN 0.306 nan 8.210 nan 0.000 0.425 340 S N 0.017 115.687 115.700 -0.049 0.000 2.489 340 S HA -0.121 4.350 4.470 0.002 0.000 0.228 340 S C 1.779 176.319 174.600 -0.100 0.000 0.995 340 S CA 0.676 58.804 58.200 -0.120 0.000 0.934 340 S CB -0.366 62.876 63.200 0.069 0.000 0.771 340 S HN 0.504 nan 8.310 nan 0.000 0.522 341 E N 1.269 121.450 120.200 -0.032 0.000 2.150 341 E HA 0.007 4.358 4.350 0.002 0.000 0.193 341 E C 1.403 177.988 176.600 -0.026 0.000 0.985 341 E CA 0.786 57.182 56.400 -0.007 0.000 0.814 341 E CB -0.180 29.525 29.700 0.009 0.000 0.752 341 E HN 0.607 nan 8.360 nan 0.000 0.466 342 L N -0.124 121.073 121.223 -0.045 0.000 2.627 342 L HA 0.181 4.522 4.340 0.002 0.000 0.233 342 L C 1.214 178.045 176.870 -0.066 0.000 1.144 342 L CA 0.381 55.200 54.840 -0.036 0.000 0.892 342 L CB -0.059 41.994 42.059 -0.010 0.000 1.039 342 L HN 0.357 nan 8.230 nan 0.000 0.442 343 G N 0.819 109.537 108.800 -0.137 0.000 2.147 343 G HA2 -0.243 3.719 3.960 0.002 0.000 0.244 343 G HA3 -0.243 3.719 3.960 0.002 0.000 0.244 343 G C 0.127 174.880 174.900 -0.243 0.000 1.005 343 G CA -0.328 44.666 45.100 -0.176 0.000 0.713 343 G HN 0.203 nan 8.290 nan 0.000 0.515 344 I N 0.826 121.189 120.570 -0.345 0.000 2.297 344 I HA 0.448 4.619 4.170 0.002 0.000 0.291 344 I C -0.292 175.623 176.117 -0.336 0.000 1.033 344 I CA -1.097 60.093 61.300 -0.183 0.000 1.253 344 I CB 0.246 38.225 38.000 -0.034 0.000 1.396 344 I HN 0.042 nan 8.210 nan 0.000 0.476 345 Y N 7.362 127.759 120.300 0.161 0.000 2.376 345 Y HA 0.474 5.025 4.550 0.002 0.000 0.340 345 Y C -2.030 174.035 175.900 0.274 0.000 0.965 345 Y CA -2.822 55.398 58.100 0.199 0.000 1.078 345 Y CB 1.447 40.019 38.460 0.186 0.000 1.193 345 Y HN 0.412 nan 8.280 nan 0.000 0.452 346 P HA 0.096 nan 4.420 nan 0.000 0.274 346 P C -0.115 177.315 177.300 0.217 0.000 1.260 346 P CA -0.247 63.147 63.100 0.490 0.000 0.793 346 P CB 0.951 32.959 31.700 0.514 0.000 1.048 347 A N 0.778 123.683 122.820 0.142 0.000 2.346 347 A HA 0.168 4.489 4.320 0.002 0.000 0.242 347 A C 0.612 178.193 177.584 -0.005 0.000 1.323 347 A CA -0.154 51.914 52.037 0.051 0.000 0.940 347 A CB -1.295 17.745 19.000 0.066 0.000 0.943 347 A HN 0.325 nan 8.150 nan 0.000 0.501 348 V N 1.144 121.040 119.914 -0.030 0.000 2.529 348 V HA 0.013 4.134 4.120 0.002 0.000 0.292 348 V C 0.198 176.286 176.094 -0.010 0.000 1.028 348 V CA -0.038 62.226 62.300 -0.060 0.000 1.074 348 V CB 0.690 32.477 31.823 -0.061 0.000 0.958 348 V HN 0.565 nan 8.190 nan 0.000 0.481 349 D N 6.481 126.873 120.400 -0.013 0.000 2.347 349 D HA 0.323 4.965 4.640 0.002 0.000 0.235 349 D C -1.564 174.737 176.300 0.001 0.000 1.149 349 D CA -1.928 52.071 54.000 -0.002 0.000 0.850 349 D CB 1.911 42.704 40.800 -0.011 0.000 1.061 349 D HN 0.208 nan 8.370 nan 0.000 0.487 350 P HA -0.124 nan 4.420 nan 0.000 0.216 350 P C 1.394 178.696 177.300 0.004 0.000 1.150 350 P CA 0.908 64.016 63.100 0.015 0.000 0.837 350 P CB 0.264 31.982 31.700 0.030 0.000 0.786 351 L N -0.798 120.427 121.223 0.003 0.000 2.044 351 L HA -0.121 4.220 4.340 0.002 0.000 0.205 351 L C 1.989 178.846 176.870 -0.022 0.000 1.075 351 L CA 1.455 56.292 54.840 -0.005 0.000 0.747 351 L CB -0.806 41.252 42.059 -0.001 0.000 0.903 351 L HN -0.042 nan 8.230 nan 0.000 0.435 352 D N -0.450 119.929 120.400 -0.036 0.000 2.162 352 D HA -0.042 4.599 4.640 0.002 0.000 0.203 352 D C 0.884 177.141 176.300 -0.071 0.000 0.967 352 D CA 0.545 54.503 54.000 -0.070 0.000 0.840 352 D CB 0.067 40.806 40.800 -0.103 0.000 0.972 352 D HN 0.094 nan 8.370 nan 0.000 0.482 353 S N 1.429 117.103 115.700 -0.043 0.000 2.466 353 S HA 0.123 4.594 4.470 0.002 0.000 0.286 353 S C 0.332 174.924 174.600 -0.013 0.000 1.221 353 S CA 0.285 58.470 58.200 -0.024 0.000 1.091 353 S CB 0.581 63.786 63.200 0.007 0.000 0.956 353 S HN 0.069 nan 8.310 nan 0.000 0.501 354 K N 1.483 121.872 120.400 -0.019 0.000 2.443 354 K HA 0.678 4.999 4.320 0.002 0.000 0.251 354 K C -0.598 175.997 176.600 -0.009 0.000 0.972 354 K CA -0.738 55.547 56.287 -0.004 0.000 0.833 354 K CB 2.102 34.600 32.500 -0.003 0.000 1.317 354 K HN 0.450 nan 8.250 nan 0.000 0.441 355 S N 0.028 115.732 115.700 0.007 0.000 2.569 355 S HA 0.342 4.813 4.470 0.002 0.000 0.280 355 S C -0.210 174.394 174.600 0.007 0.000 1.111 355 S CA -0.747 57.449 58.200 -0.006 0.000 0.887 355 S CB 1.405 64.607 63.200 0.003 0.000 1.095 355 S HN 0.635 nan 8.310 nan 0.000 0.476 356 R N 2.153 122.650 120.500 -0.006 0.000 2.310 356 R HA 0.312 4.653 4.340 0.002 0.000 0.202 356 R C 0.217 176.514 176.300 -0.005 0.000 0.933 356 R CA 0.357 56.457 56.100 -0.000 0.000 1.054 356 R CB -0.114 30.184 30.300 -0.004 0.000 0.985 356 R HN 0.499 nan 8.270 nan 0.000 0.489 357 L N 1.014 122.234 121.223 -0.004 0.000 3.154 357 L HA 0.221 4.563 4.340 0.002 0.000 0.266 357 L C -0.248 176.622 176.870 -0.002 0.000 1.300 357 L CA -0.280 54.551 54.840 -0.014 0.000 1.028 357 L CB 0.673 42.718 42.059 -0.023 0.000 1.412 357 L HN 0.044 nan 8.230 nan 0.000 0.564 358 L N 0.694 121.940 121.223 0.038 0.000 2.783 358 L HA 0.428 4.769 4.340 0.002 0.000 0.235 358 L C -0.617 176.339 176.870 0.143 0.000 1.260 358 L CA 0.227 55.135 54.840 0.115 0.000 1.184 358 L CB 0.009 42.152 42.059 0.141 0.000 1.472 358 L HN 0.087 nan 8.230 nan 0.000 0.426 359 D N -0.314 120.083 120.400 -0.004 0.000 2.547 359 D HA 0.569 5.211 4.640 0.002 0.000 0.231 359 D C 0.910 177.043 176.300 -0.278 0.000 1.099 359 D CA 0.099 53.945 54.000 -0.257 0.000 0.901 359 D CB 2.161 42.829 40.800 -0.221 0.000 1.478 359 D HN 0.102 nan 8.370 nan 0.000 0.471 360 A N 1.791 124.284 122.820 -0.544 0.000 2.019 360 A HA 0.108 4.429 4.320 0.002 0.000 0.219 360 A C 1.828 179.330 177.584 -0.137 0.000 1.164 360 A CA 1.689 53.585 52.037 -0.235 0.000 0.644 360 A CB -0.717 18.142 19.000 -0.236 0.000 0.805 360 A HN 0.569 nan 8.150 nan 0.000 0.449 361 A N -1.055 121.668 122.820 -0.162 0.000 2.252 361 A HA 0.382 4.703 4.320 0.002 0.000 0.207 361 A C 1.476 179.012 177.584 -0.081 0.000 1.194 361 A CA 1.227 53.204 52.037 -0.100 0.000 0.809 361 A CB -0.199 18.744 19.000 -0.095 0.000 0.814 361 A HN 0.363 nan 8.150 nan 0.000 0.482 362 V N -1.598 118.261 119.914 -0.091 0.000 3.161 362 V HA -0.021 4.100 4.120 0.002 0.000 0.221 362 V C 1.954 177.989 176.094 -0.099 0.000 1.296 362 V CA 1.042 63.293 62.300 -0.082 0.000 1.306 362 V CB 0.217 31.992 31.823 -0.080 0.000 1.171 362 V HN 0.383 nan 8.190 nan 0.000 0.513 363 V N -0.973 118.859 119.914 -0.138 0.000 3.647 363 V HA 0.764 4.885 4.120 0.002 0.000 0.279 363 V C 0.791 176.835 176.094 -0.083 0.000 1.314 363 V CA 0.338 62.491 62.300 -0.246 0.000 1.125 363 V CB -0.575 30.830 31.823 -0.697 0.000 0.907 363 V HN 1.053 nan 8.190 nan 0.000 0.434 364 G N 0.546 109.338 108.800 -0.013 0.000 2.629 364 G HA2 -0.151 3.810 3.960 0.002 0.000 0.686 364 G HA3 -0.151 3.810 3.960 0.002 0.000 0.686 364 G C -0.165 174.802 174.900 0.111 0.000 1.232 364 G CA 0.207 45.335 45.100 0.047 0.000 0.803 364 G HN 0.453 nan 8.290 nan 0.000 0.638 365 Q N -0.012 119.846 119.800 0.095 0.000 2.124 365 Q HA -0.049 4.293 4.340 0.002 0.000 0.202 365 Q C 2.286 178.396 176.000 0.184 0.000 0.977 365 Q CA 2.776 58.662 55.803 0.139 0.000 0.850 365 Q CB -0.186 28.606 28.738 0.090 0.000 0.901 365 Q HN 0.802 nan 8.270 nan 0.000 0.429 366 E N -0.990 119.297 120.200 0.145 0.000 2.017 366 E HA -0.281 4.071 4.350 0.002 0.000 0.193 366 E C 1.989 178.682 176.600 0.155 0.000 0.997 366 E CA 1.115 57.592 56.400 0.127 0.000 0.804 366 E CB -0.416 29.345 29.700 0.102 0.000 0.757 366 E HN 0.580 nan 8.360 nan 0.000 0.448 367 H N -0.319 118.804 119.070 0.088 0.000 2.357 367 H HA -0.229 4.328 4.556 0.002 0.000 0.296 367 H C 2.004 177.394 175.328 0.104 0.000 1.108 367 H CA 2.129 58.227 56.048 0.082 0.000 1.273 367 H CB -0.508 29.302 29.762 0.079 0.000 1.367 367 H HN 0.329 nan 8.280 nan 0.000 0.498 368 Y N 2.132 122.568 120.300 0.226 0.000 2.049 368 Y HA -0.231 4.321 4.550 0.002 0.000 0.277 368 Y C 2.437 178.376 175.900 0.064 0.000 1.143 368 Y CA 2.170 60.357 58.100 0.146 0.000 1.115 368 Y CB -0.673 37.840 38.460 0.088 0.000 0.975 368 Y HN 0.220 nan 8.280 nan 0.000 0.487 369 D N -0.481 119.914 120.400 -0.009 0.000 2.133 369 D HA -0.193 4.448 4.640 0.002 0.000 0.195 369 D C 2.416 178.642 176.300 -0.124 0.000 0.997 369 D CA 1.945 55.870 54.000 -0.125 0.000 0.840 369 D CB -0.479 40.323 40.800 0.002 0.000 0.947 369 D HN 0.341 nan 8.370 nan 0.000 0.452 370 V N 1.730 121.601 119.914 -0.072 0.000 2.287 370 V HA -0.251 3.870 4.120 0.002 0.000 0.248 370 V C 2.633 178.638 176.094 -0.149 0.000 1.053 370 V CA 1.929 64.177 62.300 -0.086 0.000 1.027 370 V CB -0.843 30.929 31.823 -0.085 0.000 0.646 370 V HN 0.189 nan 8.190 nan 0.000 0.447 371 A N -0.385 122.316 122.820 -0.199 0.000 1.930 371 A HA -0.181 4.140 4.320 0.002 0.000 0.217 371 A C 2.475 179.955 177.584 -0.174 0.000 1.175 371 A CA 2.120 54.036 52.037 -0.202 0.000 0.627 371 A CB -0.652 18.272 19.000 -0.126 0.000 0.815 371 A HN 0.513 nan 8.150 nan 0.000 0.443 372 S N 0.068 115.625 115.700 -0.238 0.000 2.368 372 S HA -0.128 4.343 4.470 0.002 0.000 0.225 372 S C 1.997 176.509 174.600 -0.147 0.000 1.030 372 S CA 1.367 59.417 58.200 -0.250 0.000 0.999 372 S CB -0.186 62.750 63.200 -0.439 0.000 0.844 372 S HN 0.490 nan 8.310 nan 0.000 0.459 373 K N 1.202 121.529 120.400 -0.122 0.000 2.097 373 K HA 0.010 4.331 4.320 0.002 0.000 0.206 373 K C 2.143 178.719 176.600 -0.040 0.000 1.049 373 K CA 0.801 57.048 56.287 -0.066 0.000 0.933 373 K CB -0.994 31.479 32.500 -0.044 0.000 0.717 373 K HN 0.295 nan 8.250 nan 0.000 0.442 374 V N 1.969 121.854 119.914 -0.049 0.000 2.343 374 V HA -0.261 3.860 4.120 0.002 0.000 0.247 374 V C 2.431 178.514 176.094 -0.017 0.000 1.051 374 V CA 1.726 64.014 62.300 -0.020 0.000 1.036 374 V CB -0.558 31.217 31.823 -0.081 0.000 0.654 374 V HN 0.374 nan 8.190 nan 0.000 0.451 375 Q N -0.321 119.454 119.800 -0.042 0.000 2.119 375 Q HA -0.233 4.108 4.340 0.002 0.000 0.201 375 Q C 2.348 178.342 176.000 -0.009 0.000 0.972 375 Q CA 1.654 57.443 55.803 -0.024 0.000 0.847 375 Q CB -0.175 28.540 28.738 -0.038 0.000 0.903 375 Q HN 0.737 nan 8.270 nan 0.000 0.433 376 E N 0.191 120.378 120.200 -0.021 0.000 2.110 376 E HA -0.158 4.193 4.350 0.002 0.000 0.193 376 E C 1.539 178.146 176.600 0.012 0.000 0.988 376 E CA 1.440 57.834 56.400 -0.009 0.000 0.804 376 E CB 0.207 29.893 29.700 -0.023 0.000 0.745 376 E HN 0.249 nan 8.360 nan 0.000 0.458 377 T N 1.087 115.648 114.554 0.011 0.000 2.821 377 T HA -0.070 4.281 4.350 0.002 0.000 0.267 377 T C 1.816 176.549 174.700 0.054 0.000 1.046 377 T CA 0.891 63.003 62.100 0.021 0.000 1.139 377 T CB -0.044 68.826 68.868 0.002 0.000 0.871 377 T HN 0.157 nan 8.240 nan 0.000 0.454 378 L N 0.536 121.795 121.223 0.060 0.000 2.179 378 L HA 0.010 4.351 4.340 0.002 0.000 0.208 378 L C 2.796 179.744 176.870 0.130 0.000 1.096 378 L CA 0.747 55.654 54.840 0.111 0.000 0.779 378 L CB -0.453 41.655 42.059 0.083 0.000 0.922 378 L HN 0.176 nan 8.230 nan 0.000 0.443 379 Q N 0.772 120.615 119.800 0.072 0.000 1.993 379 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 379 Q C 2.253 178.285 176.000 0.054 0.000 0.984 379 Q CA 2.868 58.701 55.803 0.049 0.000 0.837 379 Q CB -0.534 28.218 28.738 0.023 0.000 0.902 379 Q HN 0.526 nan 8.270 nan 0.000 0.423 380 T N -1.982 112.609 114.554 0.061 0.000 2.929 380 T HA -0.186 4.165 4.350 0.002 0.000 0.271 380 T C 1.685 176.439 174.700 0.089 0.000 1.085 380 T CA 1.277 63.411 62.100 0.057 0.000 1.125 380 T CB -0.654 68.245 68.868 0.051 0.000 0.874 380 T HN 0.423 nan 8.240 nan 0.000 0.494 381 Y N 1.999 122.296 120.300 -0.005 0.000 2.314 381 Y HA 0.217 4.768 4.550 0.002 0.000 0.293 381 Y C 2.372 178.270 175.900 -0.004 0.000 1.129 381 Y CA 0.851 58.948 58.100 -0.005 0.000 1.201 381 Y CB -0.219 38.240 38.460 -0.002 0.000 0.999 381 Y HN 0.170 nan 8.280 nan 0.000 0.541 382 K N -0.218 120.142 120.400 -0.068 0.000 2.148 382 K HA -0.120 4.201 4.320 0.002 0.000 0.204 382 K C 2.089 178.603 176.600 -0.143 0.000 1.050 382 K CA 1.445 57.649 56.287 -0.138 0.000 0.942 382 K CB -0.164 32.317 32.500 -0.033 0.000 0.724 382 K HN 0.432 nan 8.250 nan 0.000 0.446 383 S N 0.127 115.771 115.700 -0.092 0.000 2.470 383 S HA 0.014 4.485 4.470 0.002 0.000 0.225 383 S C 1.744 176.290 174.600 -0.090 0.000 1.006 383 S CA 0.213 58.369 58.200 -0.072 0.000 0.934 383 S CB -0.145 63.033 63.200 -0.036 0.000 0.778 383 S HN 0.281 nan 8.310 nan 0.000 0.517 384 L N 0.762 121.909 121.223 -0.126 0.000 2.558 384 L HA 0.174 4.516 4.340 0.002 0.000 0.225 384 L C 1.966 178.730 176.870 -0.176 0.000 1.128 384 L CA 0.200 54.970 54.840 -0.117 0.000 0.868 384 L CB -0.343 41.675 42.059 -0.067 0.000 1.006 384 L HN 0.259 nan 8.230 nan 0.000 0.454 385 Q N 0.217 119.863 119.800 -0.258 0.000 2.557 385 Q HA -0.093 4.248 4.340 0.002 0.000 0.217 385 Q C 0.554 176.474 176.000 -0.132 0.000 0.978 385 Q CA 0.784 56.438 55.803 -0.248 0.000 0.950 385 Q CB 0.050 28.620 28.738 -0.281 0.000 0.991 385 Q HN 0.587 nan 8.270 nan 0.000 0.533 386 D N -0.190 120.151 120.400 -0.099 0.000 2.840 386 D HA 0.021 4.662 4.640 0.002 0.000 0.277 386 D C 1.940 178.212 176.300 -0.047 0.000 1.066 386 D CA 0.258 54.220 54.000 -0.063 0.000 0.979 386 D CB 0.068 40.836 40.800 -0.053 0.000 1.157 386 D HN 0.309 nan 8.370 nan 0.000 0.466 387 I N -0.629 119.915 120.570 -0.044 0.000 2.756 387 I HA -0.096 4.075 4.170 0.002 0.000 0.262 387 I C 1.768 177.870 176.117 -0.025 0.000 1.225 387 I CA 0.686 61.969 61.300 -0.029 0.000 1.472 387 I CB -0.125 37.861 38.000 -0.023 0.000 1.094 387 I HN -0.141 nan 8.210 nan 0.000 0.454 388 I N 2.360 122.910 120.570 -0.034 0.000 2.480 388 I HA -0.023 4.148 4.170 0.002 0.000 0.251 388 I C 2.627 178.732 176.117 -0.019 0.000 1.124 388 I CA 1.319 62.606 61.300 -0.022 0.000 1.444 388 I CB -1.182 36.803 38.000 -0.026 0.000 1.098 388 I HN 0.317 nan 8.210 nan 0.000 0.428 389 A N -0.292 122.511 122.820 -0.029 0.000 2.302 389 A HA 0.249 4.571 4.320 0.002 0.000 0.219 389 A C 1.975 179.548 177.584 -0.017 0.000 1.243 389 A CA 0.353 52.377 52.037 -0.022 0.000 0.856 389 A CB -0.240 18.743 19.000 -0.028 0.000 0.893 389 A HN 0.359 nan 8.150 nan 0.000 0.491 390 I N -2.299 118.261 120.570 -0.017 0.000 3.739 390 I HA 0.131 4.302 4.170 0.002 0.000 0.272 390 I C 1.002 177.113 176.117 -0.010 0.000 1.167 390 I CA 0.423 61.715 61.300 -0.013 0.000 1.386 390 I CB 0.269 38.260 38.000 -0.015 0.000 1.490 390 I HN 0.106 nan 8.210 nan 0.000 0.452 391 L N 1.356 122.573 121.223 -0.010 0.000 2.872 391 L HA 0.449 4.790 4.340 0.002 0.000 0.245 391 L C 0.676 177.544 176.870 -0.004 0.000 1.211 391 L CA -0.191 54.645 54.840 -0.006 0.000 1.013 391 L CB -0.107 41.948 42.059 -0.007 0.000 1.326 391 L HN 0.406 nan 8.230 nan 0.000 0.525 392 G N 0.273 109.071 108.800 -0.004 0.000 2.828 392 G HA2 -0.289 3.672 3.960 0.002 0.000 0.463 392 G HA3 -0.289 3.672 3.960 0.002 0.000 0.463 392 G C 0.274 175.176 174.900 0.003 0.000 1.394 392 G CA -0.100 45.000 45.100 0.000 0.000 0.862 392 G HN 0.099 nan 8.290 nan 0.000 0.540 393 M N 0.714 120.319 119.600 0.008 0.000 2.510 393 M HA 0.057 4.538 4.480 0.002 0.000 0.256 393 M C 2.153 178.460 176.300 0.012 0.000 1.132 393 M CA 1.247 56.556 55.300 0.015 0.000 1.105 393 M CB -0.214 32.400 32.600 0.024 0.000 1.375 393 M HN 0.755 nan 8.290 nan 0.000 0.477 394 D N 0.547 120.951 120.400 0.008 0.000 2.351 394 D HA -0.164 4.477 4.640 0.002 0.000 0.216 394 D C 0.453 176.756 176.300 0.005 0.000 0.968 394 D CA 0.845 54.849 54.000 0.006 0.000 0.899 394 D CB -0.417 40.385 40.800 0.004 0.000 0.907 394 D HN 0.265 nan 8.370 nan 0.000 0.514 395 E N 0.510 120.713 120.200 0.004 0.000 2.424 395 E HA 0.258 4.609 4.350 0.002 0.000 0.237 395 E C -0.046 176.557 176.600 0.005 0.000 1.381 395 E CA -0.014 56.387 56.400 0.002 0.000 1.587 395 E CB 0.049 29.749 29.700 -0.001 0.000 1.398 395 E HN 0.486 nan 8.360 nan 0.000 0.439 396 L N -0.006 121.222 121.223 0.007 0.000 2.434 396 L HA 0.257 4.598 4.340 0.002 0.000 0.260 396 L C 0.570 177.445 176.870 0.007 0.000 0.983 396 L CA -0.902 53.944 54.840 0.010 0.000 0.820 396 L CB 2.024 44.093 42.059 0.018 0.000 1.361 396 L HN -0.014 nan 8.230 nan 0.000 0.410 397 S N -0.098 115.606 115.700 0.007 0.000 2.626 397 S HA 0.182 4.653 4.470 0.002 0.000 0.257 397 S C 0.773 175.375 174.600 0.004 0.000 1.288 397 S CA -0.517 57.686 58.200 0.004 0.000 0.980 397 S CB 0.838 64.040 63.200 0.003 0.000 0.975 397 S HN 0.631 nan 8.310 nan 0.000 0.577 398 E N 0.122 120.323 120.200 0.001 0.000 2.204 398 E HA -0.160 4.191 4.350 0.002 0.000 0.195 398 E C 1.908 178.507 176.600 -0.001 0.000 0.990 398 E CA 1.160 57.559 56.400 -0.001 0.000 0.821 398 E CB -0.327 29.371 29.700 -0.003 0.000 0.750 398 E HN 0.830 nan 8.360 nan 0.000 0.477 399 Q N 0.164 119.965 119.800 0.000 0.000 2.250 399 Q HA -0.082 4.259 4.340 0.002 0.000 0.200 399 Q C 1.253 177.256 176.000 0.004 0.000 0.941 399 Q CA 0.659 56.462 55.803 -0.000 0.000 0.872 399 Q CB 0.392 29.130 28.738 0.000 0.000 0.965 399 Q HN 0.096 nan 8.270 nan 0.000 0.480 400 D N 1.314 121.719 120.400 0.009 0.000 2.091 400 D HA -0.163 4.478 4.640 0.002 0.000 0.199 400 D C 1.712 178.027 176.300 0.025 0.000 0.980 400 D CA 1.561 55.573 54.000 0.019 0.000 0.831 400 D CB -0.129 40.683 40.800 0.020 0.000 0.987 400 D HN 0.403 nan 8.370 nan 0.000 0.460 401 K N 0.835 121.246 120.400 0.018 0.000 2.211 401 K HA -0.144 4.178 4.320 0.002 0.000 0.204 401 K C 2.128 178.731 176.600 0.005 0.000 1.047 401 K CA 0.813 57.111 56.287 0.018 0.000 0.935 401 K CB -0.263 32.244 32.500 0.011 0.000 0.728 401 K HN 0.045 nan 8.250 nan 0.000 0.452 402 L N 2.602 123.823 121.223 -0.003 0.000 2.023 402 L HA -0.134 4.207 4.340 0.002 0.000 0.205 402 L C 2.520 179.373 176.870 -0.027 0.000 1.073 402 L CA 2.552 57.382 54.840 -0.017 0.000 0.745 402 L CB -1.001 41.049 42.059 -0.016 0.000 0.900 402 L HN 0.518 nan 8.230 nan 0.000 0.435 403 T N -3.636 110.909 114.554 -0.015 0.000 2.788 403 T HA -0.160 4.191 4.350 0.002 0.000 0.268 403 T C 1.873 176.547 174.700 -0.043 0.000 1.044 403 T CA 1.520 63.607 62.100 -0.022 0.000 1.139 403 T CB -1.187 67.683 68.868 0.004 0.000 0.867 403 T HN 0.152 nan 8.240 nan 0.000 0.454 404 V N 2.017 121.930 119.914 -0.002 0.000 2.287 404 V HA -0.169 3.953 4.120 0.002 0.000 0.248 404 V C 2.757 178.773 176.094 -0.130 0.000 1.053 404 V CA 2.278 64.580 62.300 0.004 0.000 1.027 404 V CB -0.800 31.098 31.823 0.124 0.000 0.646 404 V HN 0.620 nan 8.190 nan 0.000 0.447 405 E N -0.220 119.931 120.200 -0.082 0.000 2.268 405 E HA -0.186 4.166 4.350 0.002 0.000 0.195 405 E C 2.386 178.892 176.600 -0.157 0.000 0.995 405 E CA 0.732 57.068 56.400 -0.105 0.000 0.836 405 E CB 0.062 29.724 29.700 -0.064 0.000 0.763 405 E HN 0.552 nan 8.360 nan 0.000 0.491 406 R N -0.131 120.279 120.500 -0.149 0.000 2.075 406 R HA 0.012 4.353 4.340 0.002 0.000 0.226 406 R C 2.426 178.603 176.300 -0.205 0.000 1.114 406 R CA 0.989 56.992 56.100 -0.161 0.000 0.972 406 R CB -0.207 30.030 30.300 -0.105 0.000 0.869 406 R HN 0.089 nan 8.270 nan 0.000 0.437 407 A N 1.536 124.202 122.820 -0.256 0.000 1.933 407 A HA -0.162 4.159 4.320 0.002 0.000 0.218 407 A C 2.044 179.403 177.584 -0.375 0.000 1.175 407 A CA 1.123 52.962 52.037 -0.331 0.000 0.628 407 A CB -0.376 18.310 19.000 -0.525 0.000 0.814 407 A HN 0.212 nan 8.150 nan 0.000 0.444 408 R N -0.170 120.076 120.500 -0.423 0.000 2.139 408 R HA -0.162 4.179 4.340 0.002 0.000 0.243 408 R C 2.023 178.206 176.300 -0.194 0.000 1.145 408 R CA 1.771 57.699 56.100 -0.288 0.000 0.976 408 R CB -0.268 29.908 30.300 -0.207 0.000 0.866 408 R HN 0.545 nan 8.270 nan 0.000 0.449 409 K N 0.182 120.424 120.400 -0.263 0.000 2.098 409 K HA 0.039 4.360 4.320 0.002 0.000 0.203 409 K C 2.103 178.573 176.600 -0.218 0.000 1.051 409 K CA 0.837 56.895 56.287 -0.383 0.000 0.957 409 K CB 0.045 32.109 32.500 -0.727 0.000 0.738 409 K HN 0.111 nan 8.250 nan 0.000 0.447 410 I N 1.512 122.000 120.570 -0.136 0.000 2.252 410 I HA -0.293 3.879 4.170 0.002 0.000 0.245 410 I C 2.836 179.071 176.117 0.196 0.000 1.102 410 I CA 1.276 62.618 61.300 0.072 0.000 1.385 410 I CB -0.270 37.800 38.000 0.116 0.000 1.064 410 I HN 0.265 nan 8.210 nan 0.000 0.414 411 Q N 1.001 120.851 119.800 0.084 0.000 2.084 411 Q HA -0.206 4.135 4.340 0.002 0.000 0.202 411 Q C 2.404 178.494 176.000 0.150 0.000 0.978 411 Q CA 1.393 57.261 55.803 0.107 0.000 0.844 411 Q CB 0.094 28.860 28.738 0.047 0.000 0.898 411 Q HN 0.339 nan 8.270 nan 0.000 0.426 412 R N -0.247 120.343 120.500 0.150 0.000 2.092 412 R HA -0.101 4.240 4.340 0.002 0.000 0.231 412 R C 2.053 178.521 176.300 0.280 0.000 1.119 412 R CA 0.850 57.090 56.100 0.233 0.000 0.970 412 R CB -0.877 29.564 30.300 0.235 0.000 0.864 412 R HN 0.333 nan 8.270 nan 0.000 0.440 413 F N 1.858 121.879 119.950 0.119 0.000 2.333 413 F HA -0.067 4.461 4.527 0.002 0.000 0.300 413 F C 1.909 177.779 175.800 0.117 0.000 1.083 413 F CA 0.784 58.844 58.000 0.100 0.000 1.395 413 F CB -0.161 38.831 39.000 -0.012 0.000 1.056 413 F HN -0.109 nan 8.300 nan 0.000 0.529 414 L N -0.180 121.153 121.223 0.183 0.000 2.083 414 L HA -0.164 4.177 4.340 0.002 0.000 0.209 414 L C 1.670 178.540 176.870 0.001 0.000 1.083 414 L CA 0.721 55.644 54.840 0.137 0.000 0.752 414 L CB -1.343 40.819 42.059 0.172 0.000 0.899 414 L HN 0.169 nan 8.230 nan 0.000 0.433 415 S N 0.225 115.929 115.700 0.007 0.000 2.559 415 S HA 0.049 4.520 4.470 0.002 0.000 0.282 415 S C -0.209 174.313 174.600 -0.131 0.000 1.336 415 S CA -0.263 57.922 58.200 -0.023 0.000 1.037 415 S CB 1.124 64.295 63.200 -0.047 0.000 0.853 415 S HN 0.373 nan 8.310 nan 0.000 0.523 416 Q N 1.045 120.784 119.800 -0.101 0.000 2.313 416 Q HA 0.365 4.706 4.340 0.002 0.000 0.260 416 Q C -3.076 172.830 176.000 -0.157 0.000 0.972 416 Q CA -1.978 53.712 55.803 -0.189 0.000 0.886 416 Q CB 2.174 30.762 28.738 -0.250 0.000 1.373 416 Q HN 0.569 nan 8.270 nan 0.000 0.416 417 P HA 0.100 nan 4.420 nan 0.000 0.271 417 P C -0.942 176.333 177.300 -0.042 0.000 1.226 417 P CA 0.118 63.212 63.100 -0.009 0.000 0.765 417 P CB 0.153 31.828 31.700 -0.042 0.000 0.835 418 F N 2.018 121.937 119.950 -0.052 0.000 2.472 418 F HA 0.242 4.770 4.527 0.002 0.000 0.364 418 F C 1.818 177.582 175.800 -0.061 0.000 1.090 418 F CA -0.121 57.845 58.000 -0.057 0.000 1.188 418 F CB 0.370 39.323 39.000 -0.078 0.000 1.105 418 F HN 0.396 nan 8.300 nan 0.000 0.536 419 A N 2.976 125.826 122.820 0.049 0.000 2.067 419 A HA -0.086 4.235 4.320 0.002 0.000 0.219 419 A C 2.104 179.712 177.584 0.040 0.000 1.158 419 A CA 1.733 53.783 52.037 0.022 0.000 0.661 419 A CB -0.906 18.082 19.000 -0.021 0.000 0.801 419 A HN 0.703 nan 8.150 nan 0.000 0.452 420 V N -3.421 116.527 119.914 0.058 0.000 2.719 420 V HA 0.256 4.377 4.120 0.002 0.000 0.252 420 V C 1.812 177.900 176.094 -0.010 0.000 1.065 420 V CA 1.218 63.528 62.300 0.016 0.000 1.086 420 V CB -0.952 30.865 31.823 -0.010 0.000 0.700 420 V HN 0.517 nan 8.190 nan 0.000 0.467 421 A N 0.287 123.094 122.820 -0.022 0.000 2.929 421 A HA 0.287 4.609 4.320 0.002 0.000 0.279 421 A C 1.732 179.395 177.584 0.132 0.000 1.418 421 A CA 0.393 52.385 52.037 -0.075 0.000 1.035 421 A CB -0.731 18.109 19.000 -0.267 0.000 1.047 421 A HN 0.662 nan 8.150 nan 0.000 0.609 422 E N -0.182 120.099 120.200 0.135 0.000 2.107 422 E HA -0.137 4.214 4.350 0.002 0.000 0.191 422 E C 1.589 178.263 176.600 0.124 0.000 0.982 422 E CA 1.720 58.184 56.400 0.106 0.000 0.809 422 E CB 0.044 29.784 29.700 0.066 0.000 0.756 422 E HN 0.589 nan 8.360 nan 0.000 0.459 423 V N -1.803 118.220 119.914 0.181 0.000 3.406 423 V HA 0.028 4.149 4.120 0.002 0.000 0.263 423 V C 1.585 177.692 176.094 0.021 0.000 1.172 423 V CA 0.525 62.869 62.300 0.074 0.000 1.140 423 V CB -0.618 31.206 31.823 0.002 0.000 0.784 423 V HN 0.077 nan 8.190 nan 0.000 0.467 424 F N 2.603 122.532 119.950 -0.035 0.000 2.179 424 F HA 0.069 4.597 4.527 0.002 0.000 0.292 424 F C 2.782 178.557 175.800 -0.041 0.000 1.089 424 F CA 1.910 59.882 58.000 -0.048 0.000 1.295 424 F CB -0.908 38.046 39.000 -0.076 0.000 1.041 424 F HN 0.330 nan 8.300 nan 0.000 0.487 425 T N -4.151 110.505 114.554 0.169 0.000 3.021 425 T HA 0.419 4.771 4.350 0.002 0.000 0.245 425 T C 1.898 176.635 174.700 0.061 0.000 1.028 425 T CA 0.782 62.933 62.100 0.086 0.000 1.139 425 T CB 0.070 68.975 68.868 0.062 0.000 0.884 425 T HN 0.420 nan 8.240 nan 0.000 0.457 426 G N 1.230 110.067 108.800 0.062 0.000 2.194 426 G HA2 -0.150 3.811 3.960 0.002 0.000 0.236 426 G HA3 -0.150 3.811 3.960 0.002 0.000 0.236 426 G C -0.152 174.769 174.900 0.034 0.000 0.987 426 G CA -0.081 45.043 45.100 0.040 0.000 0.635 426 G HN 0.594 nan 8.290 nan 0.000 0.520 427 I N 3.576 124.169 120.570 0.038 0.000 2.365 427 I HA 0.405 4.576 4.170 0.002 0.000 0.291 427 I C -1.459 174.669 176.117 0.018 0.000 1.004 427 I CA -2.775 58.539 61.300 0.024 0.000 1.311 427 I CB 0.937 38.950 38.000 0.022 0.000 1.401 427 I HN -0.070 nan 8.210 nan 0.000 0.491 428 P HA 0.106 nan 4.420 nan 0.000 0.263 428 P C 0.083 177.374 177.300 -0.015 0.000 1.195 428 P CA -0.144 62.954 63.100 -0.004 0.000 0.762 428 P CB 0.421 32.113 31.700 -0.013 0.000 0.799 429 G N 3.274 112.067 108.800 -0.012 0.000 2.537 429 G HA2 0.419 4.380 3.960 0.002 0.000 0.273 429 G HA3 0.419 4.380 3.960 0.002 0.000 0.273 429 G C -0.421 174.446 174.900 -0.056 0.000 1.189 429 G CA -0.433 44.649 45.100 -0.030 0.000 0.881 429 G HN 0.357 nan 8.290 nan 0.000 0.535 430 K N -0.430 119.918 120.400 -0.086 0.000 2.435 430 K HA 0.434 4.755 4.320 0.002 0.000 0.251 430 K C -1.563 174.972 176.600 -0.109 0.000 0.954 430 K CA -0.996 55.236 56.287 -0.091 0.000 0.820 430 K CB 2.554 34.995 32.500 -0.098 0.000 1.292 430 K HN 0.301 nan 8.250 nan 0.000 0.436 431 L N 2.281 123.449 121.223 -0.093 0.000 2.356 431 L HA 0.290 4.631 4.340 0.002 0.000 0.264 431 L C -1.202 175.620 176.870 -0.080 0.000 1.029 431 L CA -0.655 54.127 54.840 -0.095 0.000 0.897 431 L CB 1.121 43.128 42.059 -0.087 0.000 1.256 431 L HN 0.286 nan 8.230 nan 0.000 0.444 432 V N 5.261 125.126 119.914 -0.081 0.000 2.530 432 V HA 0.424 4.545 4.120 0.002 0.000 0.282 432 V C 0.737 176.815 176.094 -0.027 0.000 1.048 432 V CA -0.443 61.828 62.300 -0.048 0.000 0.997 432 V CB 0.742 32.537 31.823 -0.047 0.000 0.987 432 V HN 0.647 nan 8.190 nan 0.000 0.477 433 R N 2.716 123.211 120.500 -0.007 0.000 2.573 433 R HA 0.352 4.693 4.340 0.002 0.000 0.272 433 R C 0.923 177.249 176.300 0.043 0.000 1.009 433 R CA -0.937 55.166 56.100 0.004 0.000 1.059 433 R CB 0.771 31.067 30.300 -0.007 0.000 1.112 433 R HN 0.556 nan 8.270 nan 0.000 0.517 434 L N 2.061 123.318 121.223 0.057 0.000 2.191 434 L HA -0.156 4.185 4.340 0.002 0.000 0.212 434 L C 1.618 178.550 176.870 0.103 0.000 1.103 434 L CA 1.859 56.759 54.840 0.099 0.000 0.769 434 L CB -0.216 41.913 42.059 0.117 0.000 0.908 434 L HN 0.466 nan 8.230 nan 0.000 0.438 435 K N -0.472 119.973 120.400 0.075 0.000 2.057 435 K HA -0.169 4.152 4.320 0.002 0.000 0.206 435 K C 1.840 178.486 176.600 0.077 0.000 1.050 435 K CA 1.699 58.029 56.287 0.070 0.000 0.935 435 K CB -0.467 32.061 32.500 0.046 0.000 0.715 435 K HN 0.439 nan 8.250 nan 0.000 0.439 436 D N -0.028 120.417 120.400 0.075 0.000 2.213 436 D HA -0.048 4.593 4.640 0.002 0.000 0.205 436 D C 1.426 177.811 176.300 0.143 0.000 0.961 436 D CA 1.016 55.069 54.000 0.088 0.000 0.853 436 D CB 0.235 41.073 40.800 0.063 0.000 0.967 436 D HN 0.031 nan 8.370 nan 0.000 0.496 437 T N -0.388 114.261 114.554 0.159 0.000 2.652 437 T HA -0.152 4.199 4.350 0.002 0.000 0.267 437 T C 2.058 176.940 174.700 0.303 0.000 1.039 437 T CA 1.569 63.825 62.100 0.260 0.000 1.153 437 T CB -0.492 68.486 68.868 0.184 0.000 0.863 437 T HN -0.002 nan 8.240 nan 0.000 0.428 438 V N 1.682 121.689 119.914 0.155 0.000 2.407 438 V HA -0.136 3.985 4.120 0.002 0.000 0.248 438 V C 2.843 179.023 176.094 0.144 0.000 1.055 438 V CA 1.596 63.951 62.300 0.093 0.000 1.049 438 V CB -1.183 30.666 31.823 0.043 0.000 0.662 438 V HN 0.547 nan 8.190 nan 0.000 0.455 439 A N -0.632 122.272 122.820 0.139 0.000 2.014 439 A HA -0.117 4.204 4.320 0.002 0.000 0.218 439 A C 2.441 180.104 177.584 0.132 0.000 1.163 439 A CA 1.752 53.859 52.037 0.116 0.000 0.652 439 A CB -0.415 18.639 19.000 0.091 0.000 0.808 439 A HN 0.497 nan 8.150 nan 0.000 0.449 440 S N -0.444 115.365 115.700 0.181 0.000 2.335 440 S HA -0.067 4.404 4.470 0.002 0.000 0.216 440 S C 1.550 176.147 174.600 -0.005 0.000 1.032 440 S CA 1.488 59.744 58.200 0.093 0.000 1.000 440 S CB -0.558 62.765 63.200 0.205 0.000 0.928 440 S HN 0.557 nan 8.310 nan 0.000 0.434 441 F N 1.994 121.974 119.950 0.051 0.000 2.234 441 F HA 0.031 4.560 4.527 0.002 0.000 0.299 441 F C 2.256 178.055 175.800 -0.003 0.000 1.087 441 F CA 0.830 58.834 58.000 0.007 0.000 1.340 441 F CB -0.383 38.643 39.000 0.043 0.000 1.031 441 F HN 0.119 nan 8.300 nan 0.000 0.500 442 K N 0.607 121.121 120.400 0.189 0.000 2.152 442 K HA -0.176 4.145 4.320 0.002 0.000 0.206 442 K C 2.079 178.720 176.600 0.069 0.000 1.048 442 K CA 1.320 57.669 56.287 0.103 0.000 0.933 442 K CB -0.221 32.329 32.500 0.084 0.000 0.721 442 K HN 0.250 nan 8.250 nan 0.000 0.447 443 A N 0.084 122.951 122.820 0.078 0.000 2.081 443 A HA 0.037 4.359 4.320 0.002 0.000 0.214 443 A C 1.982 179.615 177.584 0.082 0.000 1.158 443 A CA 0.542 52.624 52.037 0.075 0.000 0.724 443 A CB 0.085 19.180 19.000 0.158 0.000 0.826 443 A HN 0.143 nan 8.150 nan 0.000 0.463 444 V N 0.150 120.107 119.914 0.072 0.000 2.407 444 V HA -0.167 3.955 4.120 0.002 0.000 0.245 444 V C 2.473 178.562 176.094 -0.008 0.000 1.041 444 V CA 1.521 63.840 62.300 0.032 0.000 1.040 444 V CB -0.775 30.964 31.823 -0.140 0.000 0.671 444 V HN 0.548 nan 8.190 nan 0.000 0.455 445 L N -0.011 121.218 121.223 0.010 0.000 2.012 445 L HA -0.206 4.135 4.340 0.002 0.000 0.210 445 L C 2.531 179.393 176.870 -0.013 0.000 1.073 445 L CA 1.789 56.631 54.840 0.003 0.000 0.748 445 L CB -0.739 41.335 42.059 0.024 0.000 0.891 445 L HN 0.374 nan 8.230 nan 0.000 0.431 446 E N 0.191 120.382 120.200 -0.014 0.000 2.333 446 E HA -0.088 4.263 4.350 0.002 0.000 0.198 446 E C 1.004 177.573 176.600 -0.050 0.000 1.007 446 E CA 0.536 56.918 56.400 -0.031 0.000 0.845 446 E CB -0.141 29.538 29.700 -0.035 0.000 0.766 446 E HN 0.591 nan 8.360 nan 0.000 0.507 447 G N 1.698 110.465 108.800 -0.056 0.000 2.452 447 G HA2 -0.279 3.682 3.960 0.002 0.000 0.275 447 G HA3 -0.279 3.682 3.960 0.002 0.000 0.275 447 G C 0.242 175.071 174.900 -0.117 0.000 1.131 447 G CA 0.200 45.260 45.100 -0.068 0.000 1.031 447 G HN 0.201 nan 8.290 nan 0.000 0.511 448 K N -0.705 119.575 120.400 -0.200 0.000 2.358 448 K HA 0.302 4.623 4.320 0.002 0.000 0.200 448 K C 0.007 176.221 176.600 -0.643 0.000 1.030 448 K CA 0.109 56.144 56.287 -0.421 0.000 1.097 448 K CB 0.644 32.816 32.500 -0.547 0.000 0.862 448 K HN 0.488 nan 8.250 nan 0.000 0.534 449 Y N -0.024 120.266 120.300 -0.017 0.000 2.658 449 Y HA 0.160 4.711 4.550 0.002 0.000 0.273 449 Y C 0.309 176.200 175.900 -0.015 0.000 0.992 449 Y CA -0.888 57.228 58.100 0.026 0.000 1.105 449 Y CB 0.421 38.962 38.460 0.134 0.000 1.188 449 Y HN -0.006 nan 8.280 nan 0.000 0.616 450 D N 0.072 120.502 120.400 0.049 0.000 2.277 450 D HA -0.101 4.541 4.640 0.002 0.000 0.208 450 D C 1.246 177.563 176.300 0.028 0.000 0.962 450 D CA 1.025 55.029 54.000 0.007 0.000 0.865 450 D CB 0.087 40.874 40.800 -0.022 0.000 0.939 450 D HN 0.578 nan 8.370 nan 0.000 0.510 451 N N 0.383 119.116 118.700 0.055 0.000 2.422 451 N HA -0.058 4.684 4.740 0.002 0.000 0.181 451 N C 0.459 176.027 175.510 0.097 0.000 1.080 451 N CA 0.190 53.276 53.050 0.059 0.000 0.893 451 N CB 0.096 38.610 38.487 0.044 0.000 0.973 451 N HN -0.006 nan 8.380 nan 0.000 0.456 452 I N 2.492 123.158 120.570 0.160 0.000 2.441 452 I HA 0.231 4.403 4.170 0.002 0.000 0.287 452 I C -1.895 174.344 176.117 0.203 0.000 1.049 452 I CA -2.603 58.830 61.300 0.221 0.000 1.381 452 I CB 0.160 38.390 38.000 0.383 0.000 1.409 452 I HN 0.042 nan 8.210 nan 0.000 0.523 453 P HA 0.026 nan 4.420 nan 0.000 0.268 453 P C 0.570 178.004 177.300 0.223 0.000 1.208 453 P CA -0.078 63.118 63.100 0.160 0.000 0.777 453 P CB 1.250 33.041 31.700 0.153 0.000 0.875 454 E N 1.068 121.356 120.200 0.147 0.000 2.106 454 E HA -0.258 4.093 4.350 0.002 0.000 0.192 454 E C 1.586 178.350 176.600 0.273 0.000 0.984 454 E CA 0.808 57.287 56.400 0.132 0.000 0.806 454 E CB -0.317 29.410 29.700 0.045 0.000 0.750 454 E HN 0.526 nan 8.360 nan 0.000 0.458 455 H N -0.371 118.786 119.070 0.146 0.000 2.543 455 H HA 0.038 4.595 4.556 0.002 0.000 0.286 455 H C 1.252 176.705 175.328 0.208 0.000 1.037 455 H CA 1.195 57.335 56.048 0.153 0.000 1.250 455 H CB 0.029 29.842 29.762 0.086 0.000 1.373 455 H HN 0.228 nan 8.280 nan 0.000 0.580 456 A N -1.042 121.894 122.820 0.194 0.000 2.251 456 A HA 0.104 4.425 4.320 0.002 0.000 0.209 456 A C 0.779 178.290 177.584 -0.122 0.000 1.187 456 A CA 0.188 52.231 52.037 0.009 0.000 0.823 456 A CB -0.373 18.627 19.000 0.000 0.000 0.846 456 A HN 0.378 nan 8.150 nan 0.000 0.486 457 F N -2.785 117.180 119.950 0.026 0.000 2.706 457 F HA 0.275 4.803 4.527 0.002 0.000 0.313 457 F C 0.213 176.104 175.800 0.151 0.000 1.096 457 F CA -0.910 57.165 58.000 0.125 0.000 1.219 457 F CB 0.071 39.148 39.000 0.129 0.000 1.051 457 F HN 0.260 nan 8.300 nan 0.000 0.568 458 Y N 2.140 122.493 120.300 0.088 0.000 2.365 458 Y HA 0.386 4.938 4.550 0.002 0.000 0.340 458 Y C 0.669 176.554 175.900 -0.025 0.000 1.016 458 Y CA -1.379 56.742 58.100 0.036 0.000 1.196 458 Y CB 0.239 38.715 38.460 0.026 0.000 1.167 458 Y HN 0.124 nan 8.280 nan 0.000 0.509 459 M N 5.278 124.595 119.600 -0.471 0.000 2.427 459 M HA -0.159 4.322 4.480 0.002 0.000 0.204 459 M C -0.972 175.190 176.300 -0.231 0.000 0.413 459 M CA 0.673 55.730 55.300 -0.405 0.000 0.507 459 M CB -2.802 29.503 32.600 -0.493 0.000 1.823 459 M HN 0.374 nan 8.290 nan 0.000 0.859 460 V N -2.033 117.758 119.914 -0.206 0.000 2.407 460 V HA 0.835 4.957 4.120 0.002 0.000 0.278 460 V C 1.377 177.341 176.094 -0.217 0.000 1.037 460 V CA 0.114 62.306 62.300 -0.180 0.000 0.900 460 V CB 1.266 33.012 31.823 -0.128 0.000 0.983 460 V HN 0.514 nan 8.190 nan 0.000 0.459 461 G N 3.523 112.227 108.800 -0.160 0.000 2.394 461 G HA2 0.393 4.354 3.960 0.002 0.000 0.214 461 G HA3 0.393 4.354 3.960 0.002 0.000 0.214 461 G C 0.595 175.418 174.900 -0.128 0.000 1.176 461 G CA 0.543 45.555 45.100 -0.146 0.000 0.786 461 G HN 1.329 nan 8.290 nan 0.000 0.533 462 G N -1.432 107.314 108.800 -0.089 0.000 2.619 462 G HA2 0.450 4.412 3.960 0.002 0.000 0.296 462 G HA3 0.450 4.412 3.960 0.002 0.000 0.296 462 G C 0.516 175.409 174.900 -0.012 0.000 1.334 462 G CA -0.424 44.654 45.100 -0.036 0.000 0.934 462 G HN 0.136 nan 8.290 nan 0.000 0.476 463 I N 0.012 120.603 120.570 0.036 0.000 2.208 463 I HA -0.164 4.007 4.170 0.002 0.000 0.245 463 I C 2.268 178.297 176.117 -0.146 0.000 1.097 463 I CA 1.685 62.945 61.300 -0.066 0.000 1.363 463 I CB 0.080 38.046 38.000 -0.057 0.000 1.051 463 I HN 0.741 nan 8.210 nan 0.000 0.413 464 E N 0.436 120.590 120.200 -0.077 0.000 2.153 464 E HA -0.228 4.123 4.350 0.002 0.000 0.194 464 E C 1.547 178.089 176.600 -0.096 0.000 0.988 464 E CA 1.348 57.705 56.400 -0.072 0.000 0.811 464 E CB -0.095 29.583 29.700 -0.037 0.000 0.746 464 E HN 0.627 nan 8.360 nan 0.000 0.466 465 D N 0.245 120.583 120.400 -0.103 0.000 2.234 465 D HA -0.072 4.569 4.640 0.002 0.000 0.205 465 D C 2.080 178.280 176.300 -0.167 0.000 0.962 465 D CA 0.478 54.411 54.000 -0.111 0.000 0.855 465 D CB 0.169 40.912 40.800 -0.095 0.000 0.951 465 D HN 0.040 nan 8.370 nan 0.000 0.500 466 V N 1.263 121.030 119.914 -0.246 0.000 2.287 466 V HA -0.221 3.900 4.120 0.002 0.000 0.248 466 V C 2.702 178.568 176.094 -0.381 0.000 1.053 466 V CA 1.206 63.248 62.300 -0.430 0.000 1.027 466 V CB -0.558 30.810 31.823 -0.758 0.000 0.646 466 V HN 0.062 nan 8.190 nan 0.000 0.447 467 V N 0.260 119.995 119.914 -0.298 0.000 2.548 467 V HA -0.149 3.972 4.120 0.002 0.000 0.249 467 V C 2.653 178.683 176.094 -0.106 0.000 1.055 467 V CA 1.567 63.763 62.300 -0.173 0.000 1.065 467 V CB -1.100 30.667 31.823 -0.093 0.000 0.681 467 V HN 0.543 nan 8.190 nan 0.000 0.462 468 A N -0.048 122.709 122.820 -0.104 0.000 1.972 468 A HA -0.238 4.083 4.320 0.002 0.000 0.219 468 A C 2.343 179.889 177.584 -0.063 0.000 1.169 468 A CA 2.106 54.102 52.037 -0.068 0.000 0.635 468 A CB -0.352 18.610 19.000 -0.064 0.000 0.810 468 A HN 0.536 nan 8.150 nan 0.000 0.446 469 K N -0.667 119.678 120.400 -0.092 0.000 2.211 469 K HA 0.175 4.496 4.320 0.002 0.000 0.201 469 K C 2.073 178.646 176.600 -0.045 0.000 1.052 469 K CA 0.831 57.075 56.287 -0.072 0.000 0.973 469 K CB -0.222 32.214 32.500 -0.107 0.000 0.766 469 K HN 0.313 nan 8.250 nan 0.000 0.466 470 A N 1.459 124.240 122.820 -0.065 0.000 1.972 470 A HA -0.162 4.159 4.320 0.002 0.000 0.219 470 A C 1.713 179.301 177.584 0.007 0.000 1.169 470 A CA 1.510 53.537 52.037 -0.018 0.000 0.635 470 A CB -0.352 18.632 19.000 -0.027 0.000 0.810 470 A HN 0.440 nan 8.150 nan 0.000 0.446 471 E N -0.217 119.979 120.200 -0.006 0.000 2.152 471 E HA -0.138 4.213 4.350 0.002 0.000 0.192 471 E C 1.977 178.583 176.600 0.010 0.000 0.983 471 E CA 1.109 57.512 56.400 0.005 0.000 0.818 471 E CB -0.090 29.609 29.700 -0.002 0.000 0.758 471 E HN 0.603 nan 8.360 nan 0.000 0.467 472 K N 0.637 121.041 120.400 0.007 0.000 2.031 472 K HA -0.052 4.269 4.320 0.002 0.000 0.205 472 K C 2.233 178.851 176.600 0.030 0.000 1.049 472 K CA 0.795 57.091 56.287 0.015 0.000 0.939 472 K CB -0.074 32.432 32.500 0.011 0.000 0.717 472 K HN 0.074 nan 8.250 nan 0.000 0.438 473 L N 0.744 121.993 121.223 0.043 0.000 2.046 473 L HA -0.184 4.157 4.340 0.002 0.000 0.208 473 L C 2.638 179.538 176.870 0.050 0.000 1.077 473 L CA 1.226 56.106 54.840 0.066 0.000 0.747 473 L CB -0.656 41.466 42.059 0.104 0.000 0.896 473 L HN 0.214 nan 8.230 nan 0.000 0.432 474 A N -0.013 122.832 122.820 0.042 0.000 1.930 474 A HA -0.106 4.215 4.320 0.002 0.000 0.217 474 A C 2.516 180.116 177.584 0.027 0.000 1.175 474 A CA 1.581 53.639 52.037 0.035 0.000 0.627 474 A CB -0.593 18.427 19.000 0.033 0.000 0.815 474 A HN 0.399 nan 8.150 nan 0.000 0.443 475 A N -0.125 122.709 122.820 0.024 0.000 1.969 475 A HA -0.123 4.198 4.320 0.002 0.000 0.218 475 A C 1.861 179.456 177.584 0.019 0.000 1.169 475 A CA 1.481 53.529 52.037 0.019 0.000 0.635 475 A CB -0.423 18.586 19.000 0.015 0.000 0.810 475 A HN 0.635 nan 8.150 nan 0.000 0.445 476 E N -0.222 119.992 120.200 0.023 0.000 2.208 476 E HA -0.009 4.342 4.350 0.002 0.000 0.193 476 E C 2.179 178.791 176.600 0.020 0.000 0.988 476 E CA 0.652 57.066 56.400 0.023 0.000 0.828 476 E CB -0.202 29.516 29.700 0.029 0.000 0.763 476 E HN 0.629 nan 8.360 nan 0.000 0.478 477 A N 1.638 124.471 122.820 0.022 0.000 1.930 477 A HA -0.094 4.227 4.320 0.002 0.000 0.217 477 A C 1.284 178.877 177.584 0.015 0.000 1.175 477 A CA 0.589 52.637 52.037 0.018 0.000 0.627 477 A CB -0.195 18.818 19.000 0.021 0.000 0.815 477 A HN 0.114 nan 8.150 nan 0.000 0.443 478 N N 0.000 118.709 118.700 0.015 0.000 1.763 478 N HA 0.000 4.741 4.740 0.002 0.000 0.220 478 N CA 0.000 53.057 53.050 0.012 0.000 0.885 478 N CB 0.000 38.494 38.487 0.012 0.000 1.341 478 N HN 0.000 nan 8.380 nan 0.000 0.667